smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 1017765 TZTPTHOIVTXCFJ-YWROOUKNSA-N 432.501 5.218 30 40 IKEB CC(C)(C)c1cc(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1 2066496 WZZZRMIDDQGNHY-OCSSWDANSA-N 437.668 8.038 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 2318225 XSSHVKXHRXHXKQ-KRWDZBQOSA-N 438.662 6.575 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S 3097641 LYKINMVFZJTLDV-ZDLGFXPLSA-N 436.385 5.960 30 40 IKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(C)c1Cl 3113662 NDNRKZXXHAQMJW-NSKAYECMSA-N 445.733 7.528 30 40 IKEB N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(Br)cc1F 8747784 SPHGPQZGQGWSKW-YLPLBHSOSA-N 427.317 5.121 30 40 IKEB CCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 8766649 GRTOHCMYOMUHMP-SDNWHVSQSA-N 438.599 5.885 30 40 IKEB CCOc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1I 9262984 ICYBSVKKKZXIQC-HZHRSRAPSA-N 442.300 6.184 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccs1)n1c(nc3ccccc31)N2 9546497 BZZXKWMOGQKOBW-IQMFZBJNSA-N 431.948 6.167 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 9576835 WIEOBCKVSNPFEZ-MTJSOVHGSA-N 426.877 5.032 30 40 IKEB Cc1ccc([C@H]2[C@H](c3cccc([N+](=O)[O-])c3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN32)c(C)c1 13510126 UFZFTJYRWWOMTM-QKDODKLFSA-N 446.510 6.111 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1 19799458 WJGIWTPPFQCWIF-RUZDIDTESA-N 431.532 5.185 30 40 IKEB CCn1cc(C(=O)/C=C/c2ccc(COc3ccc(Br)c(Cl)c3)o2)c(C)n1 22528939 ZNPOFZWMDFYJIV-VQHVLOKHSA-N 449.732 5.695 30 40 IKEB CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 35817497 JESQQNXVXJKARR-KQUPGTECSA-N 433.523 5.529 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 38180007 MHYBWYHRROVXPX-ZKJHFGPLSA-N 439.342 7.771 30 40 IKEB CCCCCCCCCCCCN1C(=O)/C(=C\Nc2ccccc2OC)SC1=S 97961955 UKYYSFDAGWAHGW-DYTRJAOYSA-N 434.671 6.730 30 40 IKEB O=C1/C(=N\c2cccc(Cl)c2)C[C@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 100349605 JQHPQOGMXVPYEK-MLQDUXEUSA-N 429.734 6.898 30 40 IKEB O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 104240395 IRDOUFISEIOTJK-LFVOPCPISA-N 425.271 5.015 30 40 IKEB CCOC(=O)c1c(/N=C/c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2 408815323 JCBAIACWHJFXCM-LQKURTRISA-N 442.584 6.557 30 40 IKEB N#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408911030 YDYASFMAACWBOF-BGTKTZGMSA-N 439.540 5.436 30 40 IKEB CCCCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408914643 VLYVXJFUYFDFNK-UINIZAEWSA-N 430.573 6.561 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c2ccccc12 408915036 WPZGZSIYMXTLCR-YCJCGMCGSA-N 430.573 6.559 30 40 IKEB O=C(O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 408969925 XBWXWQHIIBXLIZ-WGOQTCKBSA-N 432.545 6.108 30 40 IKEB CN(C)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 408974137 XSTWADUTHQGSHK-OVVQPSECSA-N 431.605 6.476 30 40 IKEB Cc1cccc2c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n(Cc3ccccc3)c12 409042338 KGVOKOUQGQANNL-KYMQWJLESA-N 445.382 6.020 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc2ccccc12 409201395 MRAHNERPVLAHOB-STBIYBPSSA-N 429.947 7.530 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409210202 FLTBWFRVFGVNHN-LGJNPRDNSA-N 430.382 6.474 30 40 IKEB COc1ccc(/C=N/OC(=O)Cc2ccc(Cl)cc2)cc1COc1ccc(F)cc1 2098009 VFOVBPHKDBAUBH-VULFUBBASA-N 427.859 5.187 30 40 IKEB COc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1OC 8915589 CZRLFMHIINUUNG-RCCKNPSSSA-N 443.499 6.056 30 40 IKEB biogenic CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 9971262 RXJSTNSLRSRQDM-KAYFCYQFSA-N 440.543 6.631 30 40 IKEB COc1cc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc(OC)c1OC 10435157 PCIGBRMWJUUTNV-PSCYQSDVSA-N 448.544 5.611 30 40 IKEB COc1ccc2oc(=O)c(-c3csc(N/N=C(\C)c4ccc(Cl)cc4)n3)cc2c1 12042929 ZYOFYAZAJNEZEJ-WYMPLXKRSA-N 425.897 5.415 30 40 IKEB C#CCn1c(C)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 14134485 PXDWIWDKKZJESY-UZWMFBFFSA-N 439.518 7.132 30 40 IKEB C=CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1nc(-c2ccccc2)cs1 26129317 MCHFVRHLROEJOO-UHFFFAOYSA-N 438.534 5.073 30 40 IKEB C=CCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 39556822 LQLIXIMZBBPLNH-YBFXNURJSA-N 426.303 5.075 30 40 IKEB COc1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)cc1 100846213 WIBHHSFZORHTGP-MFKUBSTISA-N 431.400 5.070 30 40 IKEB CCNC(=O)O/N=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCC)CC[C@]4(C)[C@H]3CC[C@]12C 118930658 SNAZURKPPNBWIB-OEAHAQHESA-N 445.604 5.166 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 408593091 OYBTZYASZKRGGM-WYMPLXKRSA-N 431.275 6.031 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)S2)cc1 408960199 DLOQYLJHGAQFQZ-PCLIKHOPSA-N 437.568 6.447 30 40 IKEB C=CCN(C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1 408975061 JJYYGUMTRIJIBG-UHFFFAOYSA-N 441.494 5.712 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409070810 GXIHSBXGHJSUJE-WSDLNYQXSA-N 443.253 5.614 30 40 IKEB C=CCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409106492 SBMVDGQWQIXMRB-HYARGMPZSA-N 446.484 5.549 30 40 IKEB COc1cccc(/C=N\c2ccc(Cl)c(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409190788 WFDXTHUJADFTEO-ROTLSHHCSA-N 430.287 6.030 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OCC 409199339 CJPTZRLKUJKIBY-BIOVLPJHSA-N 445.028 6.972 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1Cl 409214913 YUWGVOLNKDIVNS-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N/c1ccc(OC)cc1 409246722 CXRWXNHWBRRCTC-JMCHZZBBSA-N 438.552 6.626 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(F)cc2)cc1C(C)C 409306292 PMLVWSATRJOODP-UHFFFAOYSA-N 429.495 5.525 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)cc1OC 409375390 KCHGAOKDQNSZLU-QDENIKDHSA-N 444.984 6.150 30 40 IKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc(Cl)ccc1O[C@@H]2c1ccccc1 3668705 ACYKWABLGUABAR-XMMPIXPASA-N 435.995 7.152 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1cccc2ccccc12 8811401 FBGGQKDYDSBZOQ-STBIYBPSSA-N 444.962 6.595 30 40 IKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@H]2c2ccco2)cc1 9332489 PMKHIXTVTHTQKW-PUAOIOHZSA-N 428.488 5.355 30 40 IKEB CCOC(=O)c1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCC3)cc1 9907617 SXBOSDDPMOKAMX-VULFUBBASA-N 436.508 5.556 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)c1c(O)n[nH]c1N2 12349383 SLQSBFMATHCORO-AVRDEDQJSA-N 439.540 5.802 30 40 IKEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc(Br)c1OCC 12464993 CIMKPWCYDIVTHT-ATVHPVEESA-N 447.354 5.138 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 13567788 MWPGWANUYOSROP-LJQANCHMSA-N 449.547 5.185 30 40 IKEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1F 13635529 CAYPLBWXIOMWFB-ISJGIBHGSA-N 437.449 5.249 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(Cl)c1 13803889 AELWBPLERZPSCY-UHFFFAOYSA-N 434.952 5.669 30 40 IKEB Cc1cc(C)cc(N(CCC#N)C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1 14674335 GSGDPICGRUNGNE-UHFFFAOYSA-N 442.346 5.793 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(CCCC)cc3)cc2)cc1 16638590 BJLSDAMCJAVFCJ-JBASAIQMSA-N 443.587 7.568 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)c2cc(OC)ccc21 20649756 MMZUPYWJHZJXHG-GDQCRLHRSA-N 446.547 5.366 30 40 IKEB CCCCCCCc1c(O)nc(SCCN(CCC)CCC)n(-c2ccccc2)c1=O 97951593 IDVHFFWTJZRDEL-UHFFFAOYSA-N 445.673 5.665 30 40 IKEB CCCCCCCc1ccc([C@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2C3=O)cc1 100916144 RBRURJYFMIKWBI-DEOSSOPVSA-N 430.573 5.793 30 40 IKEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccccc1F 107871561 SZUNXFHJXZEQFN-STBIYBPSSA-N 436.490 5.492 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)NC1=O)[C@H](C)CC(C)(C)N2C(C)C 223601711 MGGGUVBOIURRKD-NLKUQUHMSA-N 433.621 6.387 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC[C@]23O[C@H]13 257348674 HXKDHGZOPCTTAY-PVWRUTMNSA-N 444.700 7.171 30 40 IKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 408771876 JTOVMBCWURZOQT-ZVHZXABRSA-N 442.344 6.320 30 40 IKEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 409031100 GNWQPSAHCHTCKZ-ONAMSPKSSA-N 446.706 5.101 30 40 IKEB CCOC(=O)Cn1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 409083465 VLDHTKAMZQMTKS-UETRGQPKSA-N 447.604 6.039 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)nc1 409107269 QLXPTQGCUYOYRZ-YSURURNPSA-N 447.329 5.155 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 409199873 FLLWTQHQHDHNIQ-LGJNPRDNSA-N 434.750 7.375 30 40 IKEB CCCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OCC 409203281 WEEULMFIKNILRY-LPYMAVHISA-N 437.321 5.846 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409203408 WZANXLLXTJOKLU-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)cc2C)cc1 409209751 HRVISUSBFDBUGL-WPWMEQJKSA-N 429.541 6.283 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409211793 KDFNNGDBILELJC-LGJNPRDNSA-N 434.750 7.375 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1C 409213875 WBDKENWUXFRLBQ-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB COc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 409214617 YQKVZFUWLILCSB-ZVHZXABRSA-N 439.309 5.226 30 40 IKEB CSC1=N/C(=N\c2cccc(C)c2)C2(CCCCC2)N1c1ccc(Br)cc1 2187659 QMMYSSIOPBBGDF-GFMRDNFCSA-N 442.426 6.730 30 40 IKEB O=C1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1cccc2ccccc12 2245989 KQZPTMMEYMZIIN-QHCPKHFHSA-N 445.316 6.679 30 40 IKEB C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2253686 LQMBVFJCDKIJOG-NRFANRHFSA-N 444.512 5.181 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1 2327852 NIJIXVLMUSLXCA-UHFFFAOYSA-N 436.434 5.020 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1C 2363366 RXOJLYHRDPPXLK-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2sc(C)c(C)c2c1=O 2381810 RSFBQXSHUDDRBK-UHFFFAOYSA-N 448.013 5.262 30 40 IKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2420901 UZAZPBNLZBDLQQ-UHFFFAOYSA-N 439.563 5.622 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(O)c(-c3nc4c(C)cccc4o3)c2)c1 3114310 XOKXQAQUTDINOF-BHGWPJFGSA-N 437.293 6.036 30 40 IKEB COc1ccc(C(=O)CSc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2C#N)cc1 6181823 XWAUZCYCVCOOSJ-UHFFFAOYSA-N 430.529 5.490 30 40 IKEB CC(=O)/N=C1\NC(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1 8855047 ZFNOJLIECHJFFF-OCKHKDLRSA-N 444.343 5.103 30 40 IKEB N#Cc1cc([N+](=O)[O-])ccc1NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 9086883 LFLIWQIINFKGBN-UHFFFAOYSA-N 429.372 6.184 30 40 IKEB COc1ccc(-c2c(C#N)c(C)nc3sc(C(=O)c4ccc(C)cc4)c(N)c23)cc1OC 9910400 ROJWOABUEYCKCF-UHFFFAOYSA-N 443.528 5.282 30 40 IKEB CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 12563296 OSEUYHUNOPAQFS-SFHVURJKSA-N 429.969 6.087 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1ccc(Cl)cc1 13097446 OPMIAXZDHAPMHH-UHFFFAOYSA-N 426.973 5.513 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 14133301 KCNZRFAYRJWKKZ-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB O=C(Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccccc1)c1ccc(Cl)cc1 16751712 SGUNUWUZWRCIKW-AFUMVMLFSA-N 448.935 5.867 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21 28182561 QNSBUEADBQLWEJ-WGARJPEWSA-N 439.511 6.173 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 32116834 DZBVOQRUOYQDQZ-MTJSOVHGSA-N 428.857 5.754 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2cc(Br)c(O)c(Br)c2)c1O 38182143 NNAWIAQFMZYDMC-FBCYGCLPSA-N 449.526 5.426 30 40 IKEB Cc1nnsc1/C(=N/c1ccc(Cl)cc1Cl)Sc1cccc(C(F)(F)F)c1 100924253 HVTAYTKCLRVPOM-KQWNVCNZSA-N 448.322 7.043 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O 101511624 UCDIRXNTFIAGTA-AJGXWLHTSA-N 444.600 6.815 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)S2)cc1 408751967 AUCFAWOUMSWIMA-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N2C)cc1 408909541 UXDMSYWSLSGAHO-DSEZMCGYSA-N 443.355 6.796 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1O 408912359 NGCCFABALAGHOT-HUOZHCEOSA-N 430.529 5.513 30 40 IKEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 408952703 MGIKXSLLSDOXGJ-NLRVBDNBSA-N 442.544 6.353 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 408967273 UFTISSHQTLPRRU-HYARGMPZSA-N 445.500 5.374 30 40 IKEB CN1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)SC1=Nc1ccccc1 409018488 HNRXWLQTCKVLMA-VXMHBOQLSA-N 438.350 5.474 30 40 IKEB COc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409092537 WXUBSSVCXRUJSZ-HZZGJGATSA-N 431.399 6.292 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(OC)cc4)NC3=O)c2C)cc1 409187918 VRBRPGAIXOPFQP-HAHDFKILSA-N 447.560 5.393 30 40 IKEB COC(=O)c1ccccc1/N=C/c1ccc(-c2cc(Cl)ccc2C(=O)OC(C)C)o1 409188403 HFURXPXIGFCETP-DHRITJCHSA-N 425.868 5.702 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 409201909 PBSOJAZYAKPTCN-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1OCC 409213427 UXDSOBBGEZCJQW-PCLIKHOPSA-N 440.337 6.789 30 40 IKEB C[C@@H](NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 8763348 ZTAJNUUCTRKCMJ-IAYWTGDDSA-N 429.545 5.090 30 40 IKEB C(=N/OCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1)\c1ccccc1 9035677 MPRFJERJJOVHRU-MUFRIFMGSA-N 445.482 5.755 30 40 IKEB Cc1ccc(C[C@@H](C#N)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 9127133 FTXQUHLYBKMXMY-XXBNENTESA-N 449.599 5.489 30 40 IKEB Cc1ccc(/C=C2\Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 9419214 DJGZNIWQEZUDTO-IMRQLAEWSA-N 447.490 6.948 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccco1 9934356 RNCCSISZHQBOIK-DNOBIOAJSA-N 442.515 5.599 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O 33313448 WSXDEYBECJSIPL-WOJGMQOQSA-N 448.313 5.390 30 40 IKEB CCOc1ccc(C(=O)O)cc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 33366574 AKGJIFJOHXZJOI-CENQWQLUSA-N 444.512 5.592 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1OC 34744898 VGFZCNUHRWWHKC-MHWRWJLKSA-N 443.293 5.012 30 40 IKEB Cc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1cc2ccccc2o1 102420069 MOWDTNPKRVQAOK-AFUMVMLFSA-N 433.305 6.507 30 40 IKEB CCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103526234 FJAFXDFZENLFIX-UHFFFAOYSA-N 436.540 9.861 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)S1 408778983 OFBSMDMBGVNSAV-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(I)cc1 408781993 FZDNJABNTWFORP-UUYOSTAYSA-N 434.708 6.103 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408816626 LXHPSSPDDZOLLX-BOPFTXTBSA-N 449.757 5.559 30 40 IKEB CCn1cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)c2ccccc21 408900678 ZORJCFAEMZNYBN-UHFFFAOYSA-N 432.564 5.111 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(N4CCCCC4)cc3)N(CC)C2=O)cc1 408929881 PFQFMDKGYDYNPM-WZDJMGEGSA-N 447.604 5.866 30 40 IKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1OC 408969770 UFEQLCQOYMSVFL-WPWMEQJKSA-N 448.588 6.427 30 40 IKEB COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1O 408979902 DHVOCHWOODXSTO-WYMPLXKRSA-N 436.855 5.336 30 40 IKEB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)ON=C2c2ccccc2)cc1 409077303 DTQVPVPEKGRHON-NDENLUEZSA-N 438.310 6.225 30 40 IKEB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1Cl 409149843 SEXROUJCBKUACS-CRCLCVMDSA-N 447.321 5.220 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(OC)cc1 409238527 DTPZCBIKMKBAJT-NEHLPSIOSA-N 448.504 5.018 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(-c2ccccc2)o1 409277386 ASPWEUXKZLDGCS-UHFFFAOYSA-N 431.451 5.952 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1C 409360269 MRGAHEYTXNDLDR-UHFFFAOYSA-N 438.622 5.245 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1cccc(Br)c1 1441359 SNPWNIQIXNDINI-OAQYLSRUSA-N 433.349 6.198 30 40 IKEB COc1ccc(/C=N/OC(=O)COc2cccc(Cl)c2)cc1COc1ccc(F)cc1 2098284 OWJKLMOYEVTDJW-LGJNPRDNSA-N 443.858 5.023 30 40 IKEB C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C 4097817 BDHQMRXFDYJGII-UEBIAWITSA-N 440.756 8.415 30 40 IKEB biogenic,in-vitro COC(=O)[C@H]1C2=C(C(=O)CC1(C)C)[C@H](c1ccc(C)cc1)c1c(ccc3ccccc13)N2 4708002 UTTGRLMJBOCISR-RCZVLFRGSA-N 425.528 5.748 30 40 IKEB CCCCOc1ccccc1[C@@H]1C(C(=O)OCCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4712788 JTFHIBPPUAYFMW-HSZRJFAPSA-N 425.569 5.423 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C#N)C1 8456731 YPWJUYSPRHECOD-LURJTMIESA-N 438.315 5.151 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 9423577 RJCNDIUKZRXYMB-SSALVRQISA-N 435.479 5.896 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1OC 12412014 UJPJRKNWBKBOKH-AOUVVKEYSA-N 436.577 6.031 30 40 IKEB COc1cc2c(cc1OC)C1=C[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N1CC2 13576519 CCFKZAIUMVVHHW-FQEVSTJZSA-N 449.978 5.997 30 40 IKEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 14091494 CKTCOCORIJTYQJ-UHFFFAOYSA-N 433.364 5.093 30 40 IKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1 16729078 IMLOWOKQMLZYCG-UHFFFAOYSA-N 444.453 6.635 30 40 IKEB CC(C)c1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)n2c(nc3ccccc32)c1C#N 19682078 FJONRWHYWONIQI-UHFFFAOYSA-N 443.982 5.458 30 40 IKEB COc1cc(/C=N/Nc2nc(C)nc3sc(-c4ccccc4)cc23)ccc1OCC#N 20823746 ZHFSXVKDUUVTLD-AFUMVMLFSA-N 429.505 5.024 30 40 IKEB CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 97954202 JAOWTFRJFOYGJG-QFIPXVFZSA-N 447.623 6.706 30 40 IKEB CC(=O)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 102624458 BYABYNRGWUNXIM-HOGKFDNTSA-N 431.875 5.169 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#Cc4ccccc4)[C@@H]3CC[C@@H]2C1 118914955 AXNNSHMUJUSTKY-TVPNUPDRSA-N 434.620 5.744 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=N/OCCC#N 118926996 WIZOEYDUOXKTRB-PCAHFRBBSA-N 440.628 6.147 30 40 IKEB C=CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1 225346526 IPNAIMBHIZMBML-UHFFFAOYSA-N 427.422 5.778 30 40 IKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc(F)cc3Br)o2)c2ccccc12 226362555 KIMMONWNTOEEGP-JXMROGBWSA-N 435.252 6.028 30 40 IKEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](/N=C\c1ccc([N+](=O)[O-])cc1)[C@H]2/N=C/c1ccc([N+](=O)[O-])cc1 245238786 AXCIBLMNRMNTNI-WOKMXBJSSA-N 434.496 5.234 30 40 IKEB COc1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc1OCc1ccccc1 253616984 MCLSZYHOJNIQLB-UHFFFAOYSA-N 430.533 5.012 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@]23O[C@H]13 257348672 HXKDHGZOPCTTAY-KXZJNKLXSA-N 444.700 7.171 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc(Br)cc3)sc2-c2ccccc2)cc1 408722249 FUJSMHIHXQDVBO-MFKUBSTISA-N 449.373 6.999 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1O 408912625 OFSDZQVVGWVBKE-LQLRGMOSSA-N 444.556 5.556 30 40 IKEB Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1C 409210936 HOQLUVFOOXQXGD-JVWAILMASA-N 449.959 6.628 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc1OC 409375344 JIDCSHOKOVONPD-AKBIMGJMSA-N 439.939 7.077 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@H]2c1ccc(Cl)cc1Cl 723972 RPEXZPCNTZUVJG-FQEVSTJZSA-N 439.346 5.910 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1OC 781125 AMBPRWLLGRGDJA-NGOKVRLYSA-N 440.543 5.992 30 40 IKEB CCCCC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 3064282 SSBRTYXCNLMYHU-CLCOLTQESA-N 439.726 5.631 30 40 IKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(C)c1Cl 3113685 PKZPHXIRNWCPMR-CCVNUDIWSA-N 426.903 7.374 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1cccc2ccccc12 8821204 OPTMYIJFOLUQCK-VCHYOVAHSA-N 432.854 6.404 30 40 IKEB Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2cccc(Cl)c2)cc1 8951461 DCBHFERBBOPWPG-ORWNMUSCSA-N 449.001 5.344 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 9014522 PRLQUNVZZGGPIB-LXGWOEDASA-N 440.455 5.086 30 40 IKEB C=CCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 9095218 JIRNOIFZFASTCI-MUUNZHRXSA-N 449.554 5.381 30 40 IKEB CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OCc3ccccc3)c2)c1 9109684 BWYLRHXGUDXJJC-PCLIKHOPSA-N 430.533 5.468 30 40 IKEB COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 12951708 UKGQURNMPWDUHZ-LYBVQYQHSA-N 435.907 5.802 30 40 IKEB C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 13114664 AQSTVXBZIBSFNU-JOCHJYFZSA-N 442.544 5.062 30 40 IKEB CC(C)Oc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 13654447 HCQMJDSGYZKMNP-HKWRFOASSA-N 428.444 5.947 30 40 IKEB C=CCn1c(SCC23CC4CC(CC(C4)C2)C3)nc2scc(-c3ccccc3)c2c1=O 14358276 ANWRATIVJPTIIW-UHFFFAOYSA-N 448.657 6.620 30 40 IKEB CN(c1ccccc1)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 15980345 KYCAUWPEFHRGQC-ACCUITESSA-N 437.293 6.021 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccccc2CC)N(CC)C1=O 17167085 UCDIRXNTFIAGTA-IXTCTEKTSA-N 444.600 6.815 30 40 IKEB O=c1oc2ccccc2c(NCc2ccccc2)c1/N=C(\O)c1ccccc1Br 20522755 PHGCJOIQEQFULD-UHFFFAOYSA-N 449.304 5.804 30 40 IKEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2cc(Cl)ccc2Cl)c1=O 28537109 DSTUJJSBAVDJSC-UHFFFAOYSA-N 437.327 5.306 30 40 IKEB CC1=CC(=O)[C@H](C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)[C@H]1C(=O)Nc1ccccc1 36556585 OJPIWRXLXMPYGY-GSDHBNRESA-N 438.527 5.117 30 40 IKEB CCCCCCCCOc1ccc(/C=C(/C(C)=O)C(=O)Nc2cc(Cl)ccc2C)cc1 97981610 DLMGCQGOUGKKMW-ULJHMMPZSA-N 441.999 6.999 30 40 IKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c(C)c1 101650312 NADKLLGITJNRKU-CLXZYQIKSA-N 436.364 5.200 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H](OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118914833 TUEREPUZRGDETH-QFVXTVMVSA-N 436.592 5.645 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OCC 215106757 FTHNCUKZNGDCEX-RGVLZGJSSA-N 447.915 5.679 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 224373775 UNSIGNNHCFJVGH-UHFFFAOYSA-N 434.561 5.444 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C1CCCCC1 408739421 BRXHIBVPZQYGQG-UNOMPAQXSA-N 448.419 6.809 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N\c1ccccc1 408861417 ACHIYFXGYVAKER-JNTSEIQISA-N 445.382 6.225 30 40 IKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 408872658 NOYCHMQOMIINRW-MTJSOVHGSA-N 439.943 6.087 30 40 IKEB O=C1/C(=C/c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)Sc2ccccc21 408992960 UGYGEPYDTJHFDW-HMAPJEAMSA-N 442.521 6.624 30 40 IKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccccc1 409086904 XIQZDJKITWOYFV-MOSHPQCFSA-N 433.891 5.662 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409214874 YHNHJBSBNHCMAC-MFKUBSTISA-N 443.952 5.874 30 40 IKEB Cc1cccc(-n2cccc2C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1 409280608 BSKVOOYQYMBBKL-UHFFFAOYSA-N 444.494 5.791 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1F 796172 FCZUYRRMNXRNNS-UHFFFAOYSA-N 447.506 5.114 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 1819502 UPVBFCSWUQIMLY-SFQUDFHCSA-N 432.364 5.420 30 40 IKEB CCCCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 2450557 RJNNANDABJZSRA-IYXZIDLBSA-N 432.608 6.063 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)N=C2O)cc1 2593764 VZSYPWDRMWQWJW-OQKWZONESA-N 443.012 7.811 30 40 IKEB CCOC(=O)c1c(/N=C(/N=C(\O)C(C)(C)C)NCc2ccccc2)sc2c1CCCC2 4293401 HYIDLSDWMRMGEV-UHFFFAOYSA-N 441.597 5.584 30 40 IKEB biogenic C1=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C/C1=N/OCCN1CCCC1 5104029 INXREGQZIJKRLL-XIUCIEDOSA-N 436.599 6.510 30 40 IKEB C=CCOc1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cc1Br 8905938 LOQPFMAWMNZAOM-UHFFFAOYSA-N 438.321 5.845 30 40 IKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O 9457637 ZPBMBACIKDGMLR-HHKSSKBBSA-N 429.973 5.373 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)c12 12524415 KWVMQIZNTAUQOB-MDZDMXLPSA-N 440.330 5.995 30 40 IKEB Cc1cc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)ccc1NC(=O)c1cc2ccccc2o1 32112056 CAXQQADHKDZHHV-DHRITJCHSA-N 429.432 5.666 30 40 IKEB C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 84638138 BLTIHWGPYWAVMY-HXUWFJFHSA-N 431.458 5.380 30 40 IKEB CC1(C)OB([C@@H]2C=CC=C[C@]2(/C=C/c2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 199508789 JIVNRTMPQKZINX-APABCPKJSA-N 434.194 6.121 30 40 IKEB Cc1cc(N=C[C@H](C#N)c2ccc(C(C#N)=Nc3ccc(N(C)C)cc3)cc2)cc(C)c1N=O 245239354 ICDYXACODOPILD-QFIPXVFZSA-N 448.530 6.421 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)SC1=Nc1ccccc1 260567475 LLXXGDVZYMUMOG-KXHMDKFRSA-N 449.620 5.659 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)cc(Cl)c1OC 408847322 UZGZZQFPGWFVOD-GOSISDBHSA-N 444.314 5.134 30 40 IKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408911718 CQCWCKHKSVVZOM-WKULSOCRSA-N 442.490 6.292 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(C)C)c(OC)c2)C(=O)N1CC 408914475 UXCNOJLUXRWTMT-HUOZHCEOSA-N 438.593 5.916 30 40 IKEB COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O 408914509 VCULTFTXUCHKHE-BOSNEQTGSA-N 430.573 6.417 30 40 IKEB CC1(C)CC(=O)C(=CNc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)C(=O)C1 408923244 PDHJUWCXHHRNNT-UHFFFAOYSA-N 441.575 6.091 30 40 IKEB O=C1/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)Sc2ccccc21 408976151 PRVOJVIFIPWPNG-FMCGGJTJSA-N 436.363 7.326 30 40 IKEB CCCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 408988293 RXFUJBYZQAIWTA-VEILYXNESA-N 432.589 6.096 30 40 IKEB O=C1/C(=C/c2cccn2-c2ccc(O)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 409019373 RKOPVIFOWSNIPW-DZNDYGJHSA-N 437.524 5.992 30 40 IKEB CC(C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc12 409083087 UTXAXDUEPHTONW-ZNUIVASASA-N 430.617 7.462 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCC(=O)N4CCCC4)cc3)c2C#N)C1 409162138 CWGANACQJVUWGK-UPHQNKNSSA-N 449.620 5.523 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1C 409215235 VWFQVYLSQLFGAN-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c2ccccc12 409240684 PJLKYPBQHIWJSJ-XZKXACHFSA-N 432.545 5.871 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409250169 PYTCIGGWDWILKR-HZHRSRAPSA-N 427.504 5.720 30 40 IKEB C=CCc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OCC)c1OC 409401846 FLRXMRVXLLENNO-UHFFFAOYSA-N 439.515 5.082 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](CC)O[C@@H]1c1c(OCC(=O)O)cc(C)c(Cl)c1C 2037875137 JVOMBYYAJIYZGV-YRKFHGTDSA-N 442.983 6.636 30 40 IKEB CC(=O)[C@@]12O[C@](C)(c3ccco3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 4803606 PDWGBWJIJZYLQQ-LPAQVIGDSA-N 438.564 5.337 30 40 IKEB biogenic,in-vitro O=C(C1=C(c2ccccc2)N(c2ccccc2)C(=O)C(Cl)(Cl)C1=O)c1ccccc1 8384181 AMLZGIBMYQKXES-UHFFFAOYSA-N 436.294 5.070 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 9043461 WVONAXLVMLGYRK-NRFANRHFSA-N 448.544 5.250 30 40 IKEB COc1ccc(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 9281228 HBBMVCLQIHDTNI-UUYOSTAYSA-N 427.283 6.197 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccco1 9306085 QLOPBKFCUXDSDD-UHFFFAOYSA-N 443.743 5.415 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 9544327 NLYJXOFMYWTIKH-UHFFFAOYSA-N 427.529 5.230 30 40 IKEB N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3ccccc3c2)c1 9952384 GEUJFTQBHAWLKX-UHFFFAOYSA-N 437.524 5.695 30 40 IKEB C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)C)nnc1-c1ccc(Cl)cc1 10240469 ZOPJZPDPQFOOER-LJQANCHMSA-N 447.029 5.452 30 40 IKEB C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cc(C)ccc2C)S1(=O)=O 20063587 CHFDZCRATIGCFJ-UHFFFAOYSA-N 444.556 5.037 30 40 IKEB Clc1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1Br 59248886 GJIJGMQTYSMJGO-SRZZPIQSSA-N 438.550 6.406 30 40 IKEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)CCCC3 59433774 NYXJBSYAGBDYOP-KIBLKLHPSA-N 444.343 5.786 30 40 IKEB CCCCn1c(/N=C/c2ccccc2Cl)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176604 BMURNLAVBXYSJY-AJBULDERSA-N 437.974 7.898 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C 102873358 GYBJYOPLFFSZRR-GHNGSUTGSA-N 442.899 5.179 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/c1ccccc1C 105003891 ADNVSXDVQBDWNQ-UFGLDMCJSA-N 448.375 5.448 30 40 IKEB Cc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c(C)n1-c1ccc2ccccc2c1 138296006 IPDUWBCGXHJDIR-ZVSSNCFVSA-N 429.570 6.122 30 40 IKEB C=CCOc1ccccc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)O 408631174 CMOLWUUTZRYCDK-WQRHYEAKSA-N 444.896 5.181 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 408914099 SSCNPZWEIOREBZ-YCJCGMCGSA-N 429.589 6.423 30 40 IKEB Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2C#N)cc1[N+](=O)[O-] 408974308 DYMNLNXEGJNYLG-RWPZCVJISA-N 441.874 7.106 30 40 IKEB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1C#N 409039290 RCTDNSVUCCFFFQ-NHDPSOOVSA-N 438.574 5.003 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3OCc3ccc(F)cc3)c2C#N)C1 409086374 ZJPGKWAOUVGCSM-MKCCAMSKSA-N 446.591 7.239 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O 409156774 OIDDFQXXCALPCO-QRVIBDJDSA-N 444.487 5.513 30 40 IKEB C=CCN1C(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S 409212064 PPJAXMHJOOGPGQ-BUVRLJJBSA-N 440.593 6.230 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c2C#N)C1 409212823 RFCLFEXVDBSXKM-LYORIEDSSA-N 436.364 6.736 30 40 IKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 409214265 WJQKIZDRMRPLBS-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409388009 ZRJFQLBNTXRYBQ-GATIEOLUSA-N 447.387 6.790 30 40 IKEB COc1ccc2[nH]c(CN3CCCC[C@@H]3c3csc(Nc4cc(C#N)ccn4)n3)cc2c1 585293914 BTOSFIFJWBBMJN-JOCHJYFZSA-N 444.564 5.370 30 40 IKEB Fc1ccc(CC/N=C2/NCCCCCCOc3ccccc3Oc3ncccc32)cc1 643570765 RAEQXSQOYHNIQS-UHFFFAOYSA-N 433.527 5.545 30 40 IKEB Cc1cc2c(cc1C)N[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C1=C(CC(C)(C)CC1=O)N2 861224 NBBKZSFRFJSGCZ-QHCPKHFHSA-N 435.480 5.162 30 40 IKEB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1 3283812 CYAXPKGJAYAHEP-GOSISDBHSA-N 441.531 5.053 30 40 IKEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3F)n2)cc1 8590146 CCGAUSVHRSOZDT-UHFFFAOYSA-N 445.441 5.817 30 40 IKEB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cn(CCC#N)nc2-c2ccccc2)c1 8721436 YWFHZQNERSRJIK-SANMLTNESA-N 433.515 5.543 30 40 IKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl 8986404 VQYYGXZPSUHTPV-DEOSSOPVSA-N 443.374 6.691 30 40 IKEB Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 9159119 KIGURNGXGWPURC-MTJSOVHGSA-N 425.267 6.137 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)cc1 11869593 OWXVZQKTMABCDS-JLAGCLJESA-N 428.440 5.095 30 40 IKEB biogenic Cc1ccc2c(c1)[C@H](C#N)C(c1ccc3cc(C)ccc3n1)=CN2CC(=O)c1ccccc1 18199869 UMNXKPDLZPYJDY-DEOSSOPVSA-N 429.523 6.203 30 40 IKEB COc1ccc(Cl)cc1/C(O)=N/c1c(NCc2ccccc2)c2ccccc2oc1=O 20258462 MQPYEUHMPAYGDP-UHFFFAOYSA-N 434.879 5.703 30 40 IKEB CCc1ccc2nc(NCCCNC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1 35311728 WCFXKRRCLUQMIJ-UHFFFAOYSA-N 441.457 5.311 30 40 IKEB Oc1ccccc1/C=N/c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 59461267 ZRDCHGXCFSEDPB-BHGWPJFGSA-N 445.396 7.352 30 40 IKEB Cc1ccc(S(=O)(=O)ON=C2C[C@@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)cc1 73336581 MTAKRODIHJFYMH-PLQXJYEYSA-N 434.561 5.265 30 40 IKEB CCCCCCC[C@@]1(C)NC(=O)N(Cc2csc(-c3ccc(OCC)cc3)n2)C1=O 96021511 LVCBSQAAHWFUDD-HSZRJFAPSA-N 429.586 5.380 30 40 IKEB Cc1ccc2oc(-c3cccc(/N=C/c4ccc(OC(=O)c5ccco5)cc4)c3C)nc2c1 100502246 LJEOQQZUIRIEJU-LQKURTRISA-N 436.467 6.674 30 40 IKEB CCCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 100574615 PRGXYPJHHZSXSQ-UHFFFAOYSA-N 427.548 6.831 30 40 IKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1C#N 408595302 MDPKORIABBFHPM-WKULSOCRSA-N 445.906 5.612 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 408914130 VNNUNKBXXSEHOG-OOBUQPIISA-N 428.513 5.750 30 40 IKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1Cl 408933568 BJSDZMTUBRVIHU-OPEKNORGSA-N 445.302 5.636 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(-c2ccc(F)cc2)o1 408975439 KHUWEIPCCWEHJL-NDEPHWFRSA-N 437.514 7.548 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(Cl)cc3)cc12 409299486 QLTRNDCHFIMLAU-UHFFFAOYSA-N 429.863 5.354 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)NCCc1ccccc1 712822 VABQBJFUZNLOKJ-CVKSISIWSA-N 447.585 5.204 30 40 IKEB C=CCn1nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3cccc(OC)c3)nc2c1=O 2181183 HKIQVGJWDMOQMH-UHFFFAOYSA-N 434.499 5.111 30 40 IKEB N#Cc1c(NC(=S)NC(=O)c2ccccc2Br)sc2c1CCCCCC2 3617531 LHZGWKAEIUEQOZ-UHFFFAOYSA-N 448.411 5.168 30 40 IKEB Cc1ccc(-c2nnc(N/N=C/c3c(Cl)nc4ccccn34)c3ccccc23)cc1C 6147629 CKMQGCMYEBKNGI-VULFUBBASA-N 426.911 5.661 30 40 IKEB O=C(N/C=N/OCc1c(Cl)cccc1Cl)NOCc1c(Cl)cccc1Cl 8781894 MCRNPDNEHJAQFP-UHFFFAOYSA-N 437.110 5.191 30 40 IKEB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)/C=C/c3ccccc3)c3cc(Cl)ccc32)cc1 8922679 ZDYOQYKUGJUPFX-PUHSMXRQSA-N 431.919 5.055 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1OC 8990242 CIZPPTWAPUYTET-UHFFFAOYSA-N 430.451 5.949 30 40 IKEB O=C1/C(=C/c2ccccc2Cl)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 9419626 HIAXUMMNQYNGAQ-JAIQZWGSSA-N 447.295 5.377 30 40 IKEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1ncc(C(F)(F)F)cc1Cl 14361341 YLZZFWAMTCTJPO-ZNLRHDTNSA-N 432.208 5.486 30 40 IKEB CCCCOc1ccc(/C=N\c2ccc(/N=C\c3ccc(OCCCC)cc3)cc2)cc1 17886106 JGPJVRJLTHAEQE-DHQAUHHZSA-N 428.576 7.546 30 40 IKEB Cc1cccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1C 21722677 YVLTZMSDPDMRNI-HHHXNRCGSA-N 441.531 5.515 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\CCc1ccccc1 28615382 VONRVYZOAFQXHY-QDJRPKQISA-N 437.634 5.762 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C#N)C1 57313470 XJHHLEGAINYBIS-SAAWKEMMSA-N 447.585 5.531 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(OCc2ccc(F)cc2)c1 59418050 UVWMSPDMHUHSAG-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463693 JZLBBFILKBSVHA-MFKUBSTISA-N 429.501 6.453 30 40 IKEB CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cc(OC)ccc2OC)cc1 66088147 HNGKGWBBXQVTMR-DEOSSOPVSA-N 443.499 5.049 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 97464920 SKXGJPMPICTUNM-YFGQCYJXSA-N 440.565 5.507 30 40 IKEB Cc1ccc(C23C[C@H]4C[C@@H](CC(C/N=C\c5cc(Br)ccc5O)(C4)C2)C3)cc1 100486657 GCVZMEBNERJKMV-ORHPZRPSSA-N 438.409 6.420 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@H]3c3cccc(F)c3)sc2c1 102880073 VFYCESCPIZMDQX-QOJBNDRUSA-N 448.475 5.272 30 40 IKEB Clc1ccccc1/C=N/c1ccc2c(c1)Cc1cc(/N=C/c3ccccc3Cl)ccc1-2 104391462 XGFBVDAHUXIEKP-RVSCTIAXSA-N 441.361 8.066 30 40 IKEB C=CCOc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 225365967 VMLPJUYNQBDPRO-UHFFFAOYSA-N 427.422 5.778 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226341220 SEHPSBIDGCSNGO-BQYQJAHWSA-N 425.681 5.563 30 40 IKEB CN(C)c1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408850735 DIAPKJAOFCDEST-UUYOSTAYSA-N 435.774 6.663 30 40 IKEB CCCCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(C)cc1 408915236 XJQVLJCUBKIGCW-YWQSIKCOSA-N 434.536 6.798 30 40 IKEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Br)cc1 408946503 YUGDSLGFNFAXCS-VIZOYTHASA-N 436.689 5.006 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 409083484 AVADMYHGWFSZLO-BRJLIKDPSA-N 447.369 5.496 30 40 IKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccc(Cl)cc1 409113991 KBGMVYVYBUGKDS-UHFFFAOYSA-N 435.995 7.221 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409203332 VPMCUMAALWFYOG-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB C#CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 409216391 HTPAAGLEMVMUBU-LICLKQGHSA-N 448.725 5.355 30 40 IKEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc(C)cc1 409216899 PPXDSVWNOGYJKB-WRIATZMJSA-N 438.593 5.672 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)cc(C)cc1C 409323735 PMBGPZNHCNFEFA-CQSZACIVSA-N 426.358 5.480 30 40 IKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC 883401 RVKAPMSAJHNMDA-LMKMVOKYSA-N 432.545 5.745 30 40 IKEB Clc1ccc(/C=N/N2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1Cl 1700706 WALVIZGMSHJSLH-ASIDMNOUSA-N 430.166 5.286 30 40 IKEB C=CCn1c(SCCOc2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCC3 1746349 RZMOXRKWUMFEPI-UHFFFAOYSA-N 440.634 5.601 30 40 IKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c1 2429740 VLQVXLSZAIYTGH-KSEXSDGBSA-N 440.854 5.692 30 40 IKEB Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 6245065 OPAPOOPFUJXHSP-UHFFFAOYSA-N 440.999 7.850 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S 6600592 CKWHIXFPAVHHHX-DEDYPNTBSA-N 445.993 5.705 30 40 IKEB CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 8384339 IQGAOGMWSBUQIZ-JOCHJYFZSA-N 435.476 5.138 30 40 IKEB Cc1ccc(C)c([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 8742250 OQZASONRRBHPCD-PVHODMMVSA-N 429.523 5.588 30 40 IKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cc2ccccc2nc1Cl 9291166 KYJHRUCURXVAEH-CCVNUDIWSA-N 438.922 5.878 30 40 IKEB COc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc3ccccc3c2)cc1 9373450 VXYWDGZIUBNXLY-UHFFFAOYSA-O 427.549 5.495 30 40 IKEB Clc1ccc(CN/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 10118894 DUSFOKDWVAPDMY-AFUMVMLFSA-N 429.745 5.805 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC 16689000 HPZHFLVPEDXEJI-ZHZULCJRSA-N 427.547 5.065 30 40 IKEB COc1cccc(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 28182761 CMIGNURCZBRVSR-QFEZKATASA-N 425.484 5.691 30 40 IKEB CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 100166420 KPCYFTMFPHNVDZ-QOCHGBHMSA-N 428.572 7.782 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 100507151 DOXSPKCVVIJEHS-BHGWPJFGSA-N 441.256 5.861 30 40 IKEB COc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1OC 101092613 LHAIOIGEDVOXSV-UHFFFAOYSA-N 425.406 5.899 30 40 IKEB O=[N+]([O-])c1cccc(/C=N/c2csc3nc(-c4ccccc4)cc(-c4ccccc4)c23)c1 101257821 LQLCVVCYQHQZBQ-JVWAILMASA-N 435.508 7.289 30 40 IKEB CC(C)N1c2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc2[C@@H](C)CC1(C)C 223554590 ZJIFWAVWIIPXFY-GLFIFPSUSA-N 437.584 6.218 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 224472069 RSINECYTIKMUPS-UHFFFAOYSA-N 448.588 5.439 30 40 IKEB CC(C)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408739404 BNFVEEICJMHRIR-GZZLJNBRSA-N 440.590 8.685 30 40 IKEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408741052 NQJHOZBFCUPAAU-NMWDDECMSA-N 430.489 5.487 30 40 IKEB CCOc1cc(/C=N/n2cnnc2SC)cc(Cl)c1OCc1ccc(Cl)cc1 408815893 SUYMGQQHAJGPSD-AUEPDCJTSA-N 437.352 5.167 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(I)c(C)c2)c1C 408967232 PJBYNSOYUWGFOK-OYKKKHCWSA-N 442.344 6.320 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccccc4C(=O)O)o3)c2C#N)C1 409080462 DLMOULYCJSAQDE-PJAVDKHJSA-N 432.545 6.480 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 409086210 YQHKQPHDGZSZKA-UYRXBGFRSA-N 434.289 5.373 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1cccc(Cl)c1 409110335 UQYZWXBFZJYDPJ-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1cccc(Cl)c1 409217465 VROBGWOWJLLGJW-DHRITJCHSA-N 444.756 6.749 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)S/C1=N/c1ccc(F)cc1 409246283 AHZDPPCJWZAUFG-XVUPJRCWSA-N 437.515 5.996 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1-c1ccc(F)cc1 409277903 BRSBTULEWPNLNL-UHFFFAOYSA-N 442.538 5.873 30 40 IKEB Cc1ccc(COc2ccc3ccccc3c2C=Nn2c(O)nc3ccccc3c2=O)cc1 409355635 DQPFHKKINIFBKD-UHFFFAOYSA-N 435.483 5.025 30 40 IKEB CCCCCCCCC(=O)N1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1 3031175 URBRZOUUAHDLGU-QHCPKHFHSA-N 444.369 6.260 30 40 IKEB CC(C)(C)c1ccc(C(=O)O/N=C2\CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 8781567 IHZNGCXIKMSNGQ-XFBWPPDYSA-N 439.468 5.671 30 40 IKEB COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 9271115 MCVJPECZYLSNJA-OAQYLSRUSA-N 442.496 5.088 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1 9271494 UUYCYWLPNAIMEE-OAQYLSRUSA-N 444.487 5.527 30 40 IKEB Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C1CCCCC1 9788866 JBBXAOFOEKGSQC-CQSZACIVSA-N 443.642 5.413 30 40 IKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 10118748 HFBCEAWCRFWKKY-UVHMKAGCSA-N 449.765 6.358 30 40 IKEB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 14183616 AEGNEWZDVWDISL-CQSZACIVSA-N 438.578 5.366 30 40 IKEB CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 18195212 GHICSDMMNMNMKW-FQEVSTJZSA-N 431.561 5.088 30 40 IKEB Cc1cc2c(cc1C)C1=CC(C(F)(F)F)=C/C(=C3/C=C([N+](=O)[O-])C=CC3=O)N1C(C)(C)C2 25179568 NJFJQAFVQGEHIN-XUTLUUPISA-N 442.437 5.337 30 40 IKEB CN(C)c1ccc(/C=N\Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 32679277 CKFUKTAKBTZJTA-QQXSKIMKSA-N 441.560 5.574 30 40 IKEB COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 37229401 LHZZMHLXKOFUGQ-BRXSEODCSA-N 448.559 5.477 30 40 IKEB biogenic CCc1ccc(/N=C2\S/C(=C\c3cccc(C)c3)C(=O)N2c2ccc(CC)cc2)cc1 59105154 NOHBORSDOZDUQA-ZEHKLFRWSA-N 426.585 6.928 30 40 IKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 102561919 OXSGMFBVBGARNH-UHFFFAOYSA-N 438.439 7.421 30 40 IKEB CCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102575427 YJEAIVDFNQKTTI-MOBKVPTQSA-N 433.891 5.365 30 40 IKEB COc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2[C@@H](C)c2ccccc2)cc1 102925420 BTNUFIUQQYFFJK-QVGARYPSSA-N 448.975 6.714 30 40 IKEB O=C1CCCC/C1=C1/SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 103711105 UQFVZTVHLXGIEC-QXURAYKCSA-N 437.568 7.055 30 40 IKEB O=c1nc(N/N=C/c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)c2ccccc12 108039986 XWXMDESXRKQUTR-VUTHCHCSSA-N 446.510 5.411 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc21 223485262 NOPMKHVKKUGKJW-XKZIYDEJSA-N 435.568 6.128 30 40 IKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc(Oc2ccccc2)c1 408749021 KAMRGAJWHBOYGX-UDWIEESQSA-N 441.339 6.677 30 40 IKEB C#CCn1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 408890524 VBKLAIBRNIYWAZ-UHFFFAOYSA-N 426.560 5.248 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(Cl)c1O 408910086 WCVWOVPCYKITIM-PUCVJYRNSA-N 430.957 5.685 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S/C1=N\c1ccccc1 408912133 PCJCUCZIFGONAN-LBMUFILHSA-N 447.516 6.177 30 40 IKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 408914106 SVHLRRWMVLUGFY-AJGXWLHTSA-N 438.552 6.124 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(O)c3)c2C(=O)NCc2ccco2)C1 409076898 COBHTZGLJKQMOC-PZLUAEMBSA-N 436.577 5.878 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(OCC)c2)c2ccccc21 409115486 MNEUXANFUZXPHK-JLPGSUDCSA-N 438.527 5.833 30 40 IKEB C=CCN1C(=O)S/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O 409127290 PJNHHJKTOBFJEE-KQWNVCNZSA-N 432.545 5.641 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 409213957 URRVEPCFLJTECX-DHRITJCHSA-N 444.756 6.749 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCC 409215554 BCPXCKHQHUERJC-SRZZPIQSSA-N 443.712 5.801 30 40 IKEB Cc1ccc(Sc2ccc(/C=N\c3cccc(I)c3)cc2)cc1 409242864 WGTOVJWPRFAENB-HMAPJEAMSA-N 429.326 6.501 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(OC)c1OC 409338067 CJGKQXGXJKHZPQ-UNOMPAQXSA-N 443.615 5.560 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1 796173 AVVOHTHJKNCQCN-UHFFFAOYSA-N 447.506 5.114 30 40 IKEB CCOc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)cc1 1080216 LUHXGQBPZJLMON-LYZGTLIUSA-N 446.550 6.592 30 40 IKEB C=CCn1cc(OC(=O)c2ccccc2)c2c1nc(-c1ccccc1)n1c3ccccc3nc21 2453308 ONKNLWWQGGGVSA-UHFFFAOYSA-N 444.494 5.909 30 40 IKEB Cc1ccc(-c2nc3c(C)cccc3o2)cc1/N=C/c1c(O)ccc2c([N+](=O)[O-])cccc12 3044385 CXGPYCOSRNAIBI-MZJWZYIUSA-N 437.455 6.629 30 40 IKEB Cc1ccc(Nc2nnc(SCC(=O)N(CCC#N)c3ccccc3F)s2)c(C)c1 3318183 OJKASGLUBIQMBN-UHFFFAOYSA-N 441.557 5.077 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)OC(C)(C)C)c2C#N)cc1 8425517 XINMZXADDJUPCE-UHFFFAOYSA-N 432.545 5.730 30 40 IKEB C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)ccc2O1 9424259 UUMOJUBWCNJEIZ-JLCFBVMHSA-N 449.890 5.035 30 40 IKEB CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)Nc3ccc(C#N)cc3)ccc21 9805428 JQVHQIWDFKPLBY-SFHVURJKSA-N 438.531 5.680 30 40 IKEB CCN1C/C(=C/c2ccc(OC(F)F)cc2)C(=O)/C(=C/c2ccc(OC(F)F)cc2)C1 12657598 UBEXLYXACHBLMP-MJZABRMRSA-N 435.417 5.261 30 40 IKEB CC1(C)CC(=O)C2=C(c3cccc(Oc4ccccc4)c3)Nc3ccc4ccccc4c3[C@H]2C1 15277291 UZZZQEDXUCOLRS-RUZDIDTESA-N 445.562 7.942 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)o1 16215044 UQVVHUFUERUTQO-HCBMXOAHSA-N 427.285 5.005 30 40 IKEB Cc1c2occ(-c3ccccc3)c2cc2c(-c3ccccc3)c/c(=N\N=C3CCCCC3)oc12 30822722 UIAKBIWGRRGZSB-VEWQFJOQSA-N 446.550 8.042 30 40 IKEB N#Cc1c(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)sc2c1CCCC2 32957803 CMVTYPHNCXKARW-UHFFFAOYSA-N 441.560 5.099 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(C)o4)[C@H]3c3ccc(C)o3)sc2c1 102693928 FBLPMMQKFOSGMI-YDJIHCHBSA-N 448.500 5.288 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(OCC)c1 408530593 MQTIVBUMWLTGGR-HXNPFYCNSA-N 444.556 6.293 30 40 IKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1cccc(C)c1 408594142 GCIICXOJWFJGQB-RWPZCVJISA-N 434.923 6.049 30 40 IKEB COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408670426 SGLBUJWDZWESHA-LFYBBSHMSA-N 443.326 6.486 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cc(Br)c1O 408723893 ZOLATXDBRLEKNL-LICLKQGHSA-N 447.354 5.062 30 40 IKEB O=[N+]([O-])c1cccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408849562 WSMPZBDPPXRVMP-JMIUGGIZSA-N 437.702 6.506 30 40 IKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S1 408860185 WNZLZTNEKCCHFT-JMIUGGIZSA-N 430.957 5.681 30 40 IKEB CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 408963509 FGPRNBDUEJCSCE-OVVQPSECSA-N 432.589 6.809 30 40 IKEB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 409014507 PXDRXWLVHOEDTL-FYJGNVAPSA-N 442.544 5.003 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1Cl 409113211 HCHHHBDQFJYBQP-OPEKNORGSA-N 436.821 6.121 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409208318 AOQRAGWGFHFTRA-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1Cl 409215183 XZELBSOVLMKYAU-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(N2CCCCC2)cc1 409306749 QTECQPKWARUDMW-UHFFFAOYSA-N 448.526 5.682 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(Br)cc3)C2=C(O)C1 580180 BMHURWSUBZKZTK-LJQANCHMSA-N 428.370 6.263 30 40 IKEB CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC 709537 JQNXMVSIJFLSCI-PIIWDFAUSA-N 440.543 6.073 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 797780 ORJGVVCQYURSQT-OAQYLSRUSA-N 431.875 5.341 30 40 IKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC 883398 RVKAPMSAJHNMDA-PUAOIOHZSA-N 432.545 5.745 30 40 IKEB Nc1ccccc1/N=C1/C=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C1=O 2077878 KCWZGDITJUVXIB-BXVZCJGGSA-N 430.511 5.978 30 40 IKEB CCOc1cc([C@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CCC3)ccc1OCCO 6089741 HILTWPURTFZGOY-AREMUKBSSA-N 429.516 5.283 30 40 IKEB CCCCCCCCCCCC(=O)c1ccc(OCC[N+](C)(C)Cc2ccccc2)cc1 8214592 PONRVFMQIXWVLG-UHFFFAOYSA-N 438.676 7.446 30 40 IKEB in-man O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccc(F)cc1 9108825 WPOXPGJSMHNBDH-HXUWFJFHSA-N 441.380 5.627 30 40 IKEB CCc1ccc(-c2nc(C)c(C(=O)/C=C3\NCCc4cc5c(cc43)OCCCO5)s2)cc1 9128626 GZJLRCIXDCZGMY-QNGOZBTKSA-N 446.572 5.212 30 40 IKEB Cc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 9419217 JXRFANOIPHASNZ-MTJSOVHGSA-N 426.877 5.032 30 40 IKEB O=[N+]([O-])c1ccccc1N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 12570176 FRAPPQTYRYEYEV-TURZUDJPSA-N 432.483 6.652 30 40 IKEB Cc1cc(N/N=C/c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)n1 13563077 WKUWHZYCEIXCHL-SRZZPIQSSA-N 446.146 5.423 30 40 IKEB Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)CCC#N)c2=S)cc1Cl 25157430 RBTMASWNIUSRKJ-UHFFFAOYSA-N 432.380 5.488 30 40 IKEB C[C@H]1C/C(=N\OC(=O)c2cccc(F)c2)c2ccc(OC(=O)c3cccc(F)c3)cc2C1 32116542 WQEDAUFXZCJDGI-HEHMFNKLSA-N 435.426 5.327 30 40 IKEB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c12 32908480 QUJZWTCDCORJQK-UHFFFAOYSA-N 430.467 5.245 30 40 IKEB O=c1nc(N/N=C/c2cccc(OCc3ccccc3)c2)n(-c2ccccc2)c2ccccc12 33632598 LMMFQOXXAFXWQU-VUTHCHCSSA-N 446.510 5.411 30 40 IKEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccc(Cl)cc1Cl 100005516 GFJHWYPYBZFANQ-JJIBRWJFSA-N 430.320 5.308 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)N[C@H](C)c2cccc3ccccc23)cc1 100037908 DBRDMFBDSAYYGH-HSZRJFAPSA-N 446.635 8.242 30 40 IKEB CCCCCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 102561979 UWPQWCWZXATFKI-UHFFFAOYSA-N 438.837 7.132 30 40 IKEB CCCCCCCNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 102568196 CIHMZFDTUXHMIR-UHFFFAOYSA-N 438.381 6.236 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 118916319 UELTYJDTQILMTO-YMZYQNPESA-N 446.553 6.671 30 40 IKEB Cc1c(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c2ccccc2n1Cc1cccc(F)c1 138396044 LSDHAKXKUKKTDU-ZDYYVWHCSA-N 447.560 6.011 30 40 IKEB CC1(C)OB(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)OC1(C)C 202868774 PYUWOWKAEFZKRB-UHFFFAOYSA-N 445.371 6.750 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)o1 408635172 XOHYLJOJKWXIGB-ODLFYWEKSA-N 448.891 5.475 30 40 IKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3cccc4ccccc34)sc1C2 409045620 GSMSVRQAGJXQSN-WYMPLXKRSA-N 435.346 6.389 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C1=O 409089154 NGYIXMNDCBFMAM-WOJGMQOQSA-N 448.313 5.390 30 40 IKEB CC[C@H](C)Oc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl 409286644 WSBWBHZZVCHASY-LBPRGKRZSA-N 448.748 5.180 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(C)(C)C)c1 409294951 PVDYTLDFPCRAKY-UHFFFAOYSA-N 442.357 5.029 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](CCCCC)O[C@@H]1c1cccc(F)c1OCC(=O)O 585267998 TUYMBCCTBDLOES-WUUJFSMWSA-N 440.555 6.676 30 40 IKEB O=C(Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl 2068764 IUZVZCXMSWUNFC-JAIQZWGSSA-N 427.308 6.542 30 40 IKEB FC(F)(F)c1cccc(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c1 2680169 NDOKULJLTOQEMO-BIZUNTBRSA-N 440.468 8.067 30 40 IKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1 3066518 RLOBGLPEMONHQD-VULFUBBASA-N 449.348 7.011 30 40 IKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3)oc2c1 3068842 ZTVGOTRUOQKSSX-FOKLQQMPSA-N 432.392 5.384 30 40 IKEB COc1ccc(C/N=C/c2c(-c3ccccc3)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 3878056 SLMOBIACZVPCCS-WGOQTCKBSA-N 440.528 5.070 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 8386565 FERNYWQEPLXRLK-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB N#Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 8881953 FPWMRBURXTUZJF-NRFANRHFSA-N 429.907 5.020 30 40 IKEB COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2OC)cc1 12652225 OVALUAZQWTVGQS-NDEPHWFRSA-N 440.543 5.884 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 12894870 UOCUEIOMIAYZNI-PGXJJXAMSA-N 428.613 5.468 30 40 IKEB FC(F)(F)c1cnc(/C(=N/Nc2ccc(Cl)nn2)c2ccc(Cl)cc2)c(Cl)c1 12957213 FPCPWWYEHXWIIH-RWPZCVJISA-N 446.647 5.715 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 15135037 VILWPQCOCPULHV-AUEPDCJTSA-N 428.673 5.762 30 40 IKEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@H]2C=Cc3ccccc3N21 16000594 GALYBOBKSUAVHA-GVAUOCQISA-N 435.914 5.624 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 18195186 XMGNDLKGRYGTTB-ODCWNRFASA-N 440.524 5.834 30 40 IKEB Cc1cccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccc(Cl)cc3)S2(=O)=O)c1 20132696 SSJORECSOJUPQB-HMAPJEAMSA-N 438.936 5.135 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(N(C)C)cc3)c3ccccc3S2(=O)=O)c(C)c1 32984265 JNIWGBMVCIAOMZ-UHFFFAOYSA-N 432.545 5.019 30 40 IKEB COc1ccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C#N)cc3)N2)cc1 80324774 DOFKCSOVVDYOFQ-LADGPHEKSA-N 446.348 5.552 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c(Br)c1 408726123 PZFIOZNKBZRUOP-JMIUGGIZSA-N 443.282 5.673 30 40 IKEB CCOc1c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cccc1OC 408912169 MEGXXCLBJQWQEU-RZZGQMAMSA-N 430.529 5.903 30 40 IKEB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccccc1C#N 409071534 GVVDTWPCHKXCMV-YBFXNURJSA-N 442.924 5.246 30 40 IKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 409102188 DBGOUXHGFHNCJS-WPWMEQJKSA-N 436.939 6.500 30 40 IKEB CCCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OCC 409209488 BWXZTPFIRLJUJT-HYARGMPZSA-N 437.321 5.792 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@](C)(CC)OC3 751990 JOIBVMCNLGRXAE-HSZRJFAPSA-N 442.606 5.365 30 40 IKEB Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccc(N(C)C)cc1)N2 1041020 BCPIAOICEJLSCK-VWLOTQADSA-N 426.564 5.556 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 1451087 ZETYJBULWHOQEK-INIZCTEOSA-N 435.288 5.134 30 40 IKEB Cc1ccc([C@H]2C(/C=C/C(=O)c3ccccc3)=C(c3cccs3)Oc3ccccc32)cc1 1902903 SWUMXSRWWQVLQO-GHUONELISA-N 434.560 7.431 30 40 IKEB O=[N+]([O-])c1ccc2nc(Sc3ccc(/C=N/c4ccc5ccccc5c4)o3)sc2c1 3086566 PEHXXUAUQOOUQS-YDZHTSKRSA-N 431.498 6.853 30 40 IKEB Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cs1 9514116 CYMUNNLMZBKRAL-UHFFFAOYSA-N 441.581 6.535 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@@H]2c1ccc(C)cc1 15024027 OZDRJIWWJNRYEC-XUZZJYLKSA-N 426.516 5.143 30 40 IKEB Cc1ccc(/N=C2\SCCCN2C(=O)/C=C/c2ccc(Br)o2)cc1Cl 16050340 WSHFDUWLVADLPY-LGIBAPSDSA-N 439.762 5.670 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc2ccccc12 16268593 IAHJEHCUERBSJE-IWIPYMOSSA-N 441.531 6.278 30 40 IKEB Cl/C(=C\C=N\N=C\C=C(/Cl)c1ccc2ccccc2c1)c1ccc2ccccc2c1 16545719 ZNROLMNGIYQMRQ-XMKUYZSYSA-N 429.350 7.909 30 40 IKEB CCO/C(=N\c1ccc(C#N)cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 17139521 RXUDBKMKUWJAFP-CCFHIKDMSA-N 448.591 7.308 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3ccc(CC)cc3)c3ccccc3S2(=O)=O)cc1 32984292 UBRVAYNJTGFAFL-UHFFFAOYSA-N 433.529 5.297 30 40 IKEB CC1(C)[C@H](C=C(Br)Br)[C@@H]1O[C@@H](C#N)c1cnc2ccccc2c1 35181706 LAVBPVFCUCRKLJ-KMFMINBZSA-N 436.147 5.472 30 40 IKEB CCCCCCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 36512740 IQXCHKVPMKFAJC-VWLOTQADSA-N 449.635 7.459 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 36621769 BKFIBDWKIPCPQA-ZOWZWPFWSA-N 441.597 5.755 30 40 IKEB Cc1ccc(/N=C2/SCC(C)(C)N2C(=O)/C=C/c2c(Cl)nc3sccn23)c(C)c1 95947853 LWTUKQQBTRGLFZ-LUGJDLDZSA-N 445.013 5.721 30 40 IKEB CCCCCCCCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2CCCCCCCC)cc1 100023027 NWIFRDQEAOJOGK-NOZRDPDXSA-N 428.661 7.102 30 40 IKEB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)c(Cl)c1 100117636 NKVBMEVULBJSKQ-PZHNNBNVSA-N 449.381 6.949 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl 102613907 GRDAQYUSBOMGDQ-MRJHHRETSA-N 438.310 5.928 30 40 IKEB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2N=C2CCCCCCC2)cc1 102821978 SXAVSVOOAAFRSC-BZZOAKBMSA-N 438.528 6.445 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccccc1 408906463 BQNOGRZBXVWSHP-BJHCLOSNSA-N 436.939 6.844 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2C2CCCCC2)cc1 408911011 IOHVBGMJKVZPHY-GHZVKXTHSA-N 445.415 7.239 30 40 IKEB COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OC 408964517 HMBYHKQLCJDSSZ-RIYZIHGNSA-N 443.739 5.556 30 40 IKEB Cc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1N1CCCC1 409055073 CCCLFIJXDOFPPT-MTDXEUNCSA-N 443.616 6.538 30 40 IKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409085006 YCKOQMPBSIOUIK-WBBAFLOHSA-N 437.008 7.743 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409213315 UETMUKMRMMFZBL-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)oc(-c2ccco2)c1-c1ccco1 409381803 JTLSMVYBVZAHBC-MZJWZYIUSA-N 438.395 6.380 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 709280 GERFIDXGUNWYFX-JOCHJYFZSA-N 435.882 5.300 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C(F)(F)F 2055267 AYGHXYLBSIVJOB-NRFANRHFSA-N 449.513 6.043 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc(OCc3ccccc3)cc2)c2ccccc21 2291771 WEEQQYKTLFDLGJ-GDLZYMKVSA-N 447.559 7.132 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 4109161 UPPQVMCUFAJDIF-ZMPCKTLKSA-N 447.541 5.277 30 40 IKEB C[C@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccccc1 6177214 SIJURMDYNFEJMW-IBGZPJMESA-N 435.552 6.407 30 40 IKEB CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccs3)C4=O)c2c1 11868688 PDVMNHZCDQBURL-XKZIYDEJSA-N 446.480 6.037 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cccc(Cl)c1 13805626 CHIBDJPKIKYGPM-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB Oc1c(Cl)cc(Br)cc1/C=N\c1ccc(-c2nc3ccccc3o2)cc1 16545317 OZQVSUJOSJMMDH-KSEXSDGBSA-N 427.685 6.367 30 40 IKEB CCCCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1nc2c(Cl)cccc2s1 16639070 SKSDCHASVYFOLE-QKQONQEDSA-N 449.359 6.317 30 40 IKEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC 20196201 XEIDWWKWTKPWRF-LGJNPRDNSA-N 432.351 5.542 30 40 IKEB O=C(/C(=C(/S)Nc1cccc(Br)c1)[n+]1ccccc1)c1cc(F)ccc1F 22732562 PYNQJFIOKOCDRF-UHFFFAOYSA-O 448.312 5.066 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3)nc2c1 38180037 BPQSEHOYMGGIIB-IXORVSQSSA-N 429.476 6.681 30 40 IKEB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 87493021 FFKIQLXJMQUBQZ-IRLJAPRMSA-N 426.685 6.980 30 40 IKEB endogenous,in-man Cc1n[nH]c2c1C1=C(C(=O)[C@H](C(C)(C)C)C[C@H]1C(C)(C)C)[C@@H](c1ccc(N(C)C)cc1)N2 221963539 JVUXTMQBVQQAIR-DNVFCKCGSA-N 434.628 6.002 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1)Nc1ccccc1 408801095 SSGMNISQFJRCRE-CEUNXORHSA-N 436.511 6.034 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 408964075 BMKLMDKCJMFZTN-RDRPBHBLSA-N 425.532 6.350 30 40 IKEB C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OCC)c1O 409074065 JYAHRJAWWFZOPS-UHFFFAOYSA-N 449.591 5.493 30 40 IKEB C#CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 409193291 ILVMXJFAHQQNIB-GZTJUZNOSA-N 448.725 5.355 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409209859 JMHMNSHZSSUTOB-JFLMPSFJSA-N 428.359 7.284 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)S2)c1C 409218607 WDGKSJGPNXIDND-XKZIYDEJSA-N 445.544 5.301 30 40 IKEB CCOC(=O)c1c(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)sc(C)c1C 976267 RRKHXRMDMTYYCZ-UHFFFAOYSA-N 439.562 5.001 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@@H](C(C)C)OC3 1322027 ARHMTDYMJHVRLU-IBGZPJMESA-N 440.634 5.466 30 40 IKEB C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 2380451 ZBSSXSFLXRTPFG-HSZRJFAPSA-N 427.456 5.005 30 40 IKEB O=C(Oc1ccccc1/C=N/c1cccc2ccccc12)c1sc2ccccc2c1Cl 3095192 WPTJANLCUFAVQJ-LQKURTRISA-N 441.939 7.678 30 40 IKEB FC(F)(F)c1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 8872374 VYEYNXYGEZNVMX-CVKSISIWSA-N 441.461 5.070 30 40 IKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9341735 ZHSXGZNCWRLPAZ-AMMSGCIUSA-N 437.278 6.228 30 40 IKEB C=CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccc(F)cc1 12695950 FRGAXTUDEVCHKE-NRFANRHFSA-N 436.556 5.116 30 40 IKEB Clc1cccc(/N=C\C=C(\Nc2cccc(Cl)c2)c2ccc(Br)cc2)c1 16398866 DMNSYNPOOVHBLO-GVYGDHJUSA-N 446.175 7.611 30 40 IKEB Cc1nn(-c2ccccn2)c2c1[C@@H](c1c(F)cccc1Cl)C1=C(N2)c2ccccc2C1=O 18090058 VAYGHDRGUSXLBB-NRFANRHFSA-N 442.881 5.533 30 40 IKEB N#C[C@@H](N)c1ccc(OCCCCCCCCCCOc2ccc([C@H](N)C#N)cc2)cc1 31870865 HAUCJFOUGDOZIP-CLJLJLNGSA-N 434.584 5.312 30 40 IKEB CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cc3ccccc3o1)C2=O 32501340 RCYVTNDOESHAPC-JLPGSUDCSA-N 433.548 6.465 30 40 IKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl 32931745 YVFUJYZYYWZBDQ-JOCHJYFZSA-N 429.907 5.375 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3/CCc4c(C)cc(C)cc4C3=O)cc2[N+](=O)[O-])cc1 33614801 YTNJANKVPNWBIP-ZHZULCJRSA-N 429.541 6.884 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 102706628 DHLXSACORIPVNB-MOBKVPTQSA-N 430.504 5.215 30 40 IKEB CCCCCCCCCCCCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 104396198 WHLBCNRCXJZXMF-QMCAAQAGSA-N 428.610 5.320 30 40 IKEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224964370 KWYBFPFETLXTHV-UHFFFAOYSA-N 440.270 5.402 30 40 IKEB Cc1cc(C#N)c(C)c(-c2c(C)cc(N(c3ccccc3)c3ccccc3)cc2C)c1C#N 256053376 REEXCPLQTOVKBB-UHFFFAOYSA-N 427.551 7.800 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1)S(C)(=O)=O 408546995 IDRQRCOIHHJBBI-UHFFFAOYSA-N 438.574 5.042 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N\c3cccc(O)c3)c2C)ccc1I 408775701 UIJRRHIWTNFKBV-UUYOSTAYSA-N 430.289 5.463 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)c1C 408815531 JRTGCHSZYKDKGZ-MYYYXRDXSA-N 437.568 6.198 30 40 IKEB COC(=O)c1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1Cl 408846162 IQNRHPQOZTXPCD-WYMPLXKRSA-N 445.744 6.047 30 40 IKEB CC/N=C1\S/C(=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C(=O)N1CC 408847022 LYLKFPJMXYKJED-DFUCCVLFSA-N 428.561 5.182 30 40 IKEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408936062 FEPJNEIDDLSPDZ-YSURURNPSA-N 431.275 5.548 30 40 IKEB O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1ccc(N2CCCCC2)cc1 408962545 YZVGMVCQLSZDQJ-RGEXLXHISA-N 442.382 5.331 30 40 IKEB CCOc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1cccc(C)c1 408983046 ZZSBJOUXABSBED-UHFFFAOYSA-N 435.527 6.156 30 40 IKEB C#CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409145872 SFGHYBQMULGHBH-INIZCTEOSA-N 440.735 5.470 30 40 IKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1 409208446 BSWUDEPMYRNFMY-HYARGMPZSA-N 430.323 5.276 30 40 IKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1C 409211900 KQNWVFHUCNTEGA-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccc(F)cc1 409241020 MWSRHXXMECKANX-VDQGFZQOSA-N 432.520 6.029 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 811227 ZYVPCBFLZWXWBQ-HFZDXXHNSA-N 444.575 5.066 30 40 IKEB CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OCC)cc1 939698 AKEYPPYUIUMVFK-UHFFFAOYSA-N 442.519 5.306 30 40 IKEB CCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N 1026809 VMADYBYSWYURDQ-UHFFFAOYSA-N 431.561 5.256 30 40 IKEB O=S(=O)(NCc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)o1)c1ccccc1 1209457 WLVBHWBEGVDVHV-YZSQISJMSA-N 446.528 5.088 30 40 IKEB COC(=O)c1ccc(CO/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 3320812 ICNADDDCBUGCLS-VULFUBBASA-N 439.895 5.265 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 5570542 ILVTYODCIRQXFS-DEOSSOPVSA-N 426.564 5.447 30 40 IKEB COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(NC(=O)c2ccc(C)cc2)cc1 8399521 GCFVKOAPCXXDLM-KPKJPENVSA-N 440.326 6.459 30 40 IKEB C/C(=N\OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1cccs1 8927527 WLRGDZXANHXURB-OGLMXYFKSA-N 441.512 5.926 30 40 IKEB COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 9261516 BWOUVQLTWXPQMX-YWQSIKCOSA-N 443.528 5.459 30 40 IKEB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9575285 SCVOZDPFOPEBOP-ZSEKCTLFSA-N 441.314 5.954 30 40 IKEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1oc2ccc(OC)cc2c1C 13096923 NYFKMFMBDMHJEY-UHFFFAOYSA-N 430.254 5.002 30 40 IKEB N#Cc1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2c(c1-c1ccco1)CCCC2 13117869 FZWCZZJFNWEZOL-UHFFFAOYSA-N 441.915 5.615 30 40 IKEB CC1=C(C)C[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C(C)C)cc3)c2C#N)[C@@H](C(=O)O)C1 13989217 CKSASDPGDWBESL-UXHICEINSA-N 436.577 6.104 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccccc1Cl 20503271 IMRSGLGDIAWKDK-VWLOTQADSA-N 447.922 5.552 30 40 IKEB CCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1cccc(Cl)c1 33854773 LBDDYNVINWKTCW-MFKUBSTISA-N 439.968 5.638 30 40 IKEB CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1cccc(C(=O)O)c1 35656927 SGAPMZGCDITLEU-IKMQVZDESA-N 444.512 5.198 30 40 IKEB CCCCCCCCCCCCOc1ccc(C#Cc2ccc(OCCCO)cc2)cc1 98045095 CXFOSYGSIHKVSK-UHFFFAOYSA-N 436.636 7.147 30 40 IKEB COc1ccc(/N=C2/S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 100539164 IEXXONXICYJMNB-AOUVVKEYSA-N 429.545 5.570 30 40 IKEB CN(C)c1ccc(/C=N\c2ccc3c(c2)/C(=C\c2ccc(N(C)C)cc2)c2ccccc2-3)cc1 104335095 MRDRCYQHHJZNJG-ZLFJGZHLSA-N 443.594 7.139 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(OC)c(O)c1 104360306 NLBXMXYPTOTMPA-MEFGMAGPSA-N 449.705 6.680 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1 108993095 BNDWTXFYTVEPIV-YUMHPJSZSA-N 432.520 5.270 30 40 IKEB C#CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 408530824 NOEFENQXGVAKDJ-ZEHKLFRWSA-N 433.536 6.083 30 40 IKEB Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccc(Br)cc3)cc1)C2 408733152 WLPQQQGQDNTANT-LFYBBSHMSA-N 432.361 6.482 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@@H](C)CC)C1=O 408912531 NKORXHPDVSCOJW-YFQYJQGQSA-N 428.985 6.450 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 408961766 DVQUVFGGRMEKLG-OEAKJJBVSA-N 441.512 5.037 30 40 IKEB Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408991098 ZAWYQTSHODQOMR-MTJSOVHGSA-N 438.310 6.225 30 40 IKEB Cc1ccnc(-n2c(C)cc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)c2C)c1 409279325 HHFMOUAGXQCGIW-UHFFFAOYSA-N 439.563 5.437 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC)c(Cl)c1 1531304578 KSHWYBXKLLDQEK-FSJBWODESA-N 448.748 5.046 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(C)c1 2452740 XCNXHODEFYFLSV-UHFFFAOYSA-N 440.572 5.837 30 40 IKEB COc1cc(/C=N/Nc2ccc(Cl)cc2)cc(I)c1OC(C)C 8399696 UCQHXBRMZRORQK-KEBDBYFISA-N 444.700 5.186 30 40 IKEB C=CCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1C1CCCCC1 9492072 ZKCFLTBIRMLMFS-CQSZACIVSA-N 429.615 5.280 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 10035313 KQYMAEBHQWVZEK-XRHLQHRESA-N 438.527 5.762 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 13569350 NJBKABMZUCSEPZ-RXFWQSSRSA-N 448.526 5.240 30 40 IKEB O=C(/C=C/c1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 13641346 SBOKKVUBLNZTCT-OUKQBFOZSA-N 425.875 5.621 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3ccc(F)cc3)o2)oc(-c2ccccc2)c1-c1ccccc1 14408519 SSDYZASGILFCKD-FDAWAROLSA-N 432.454 7.635 30 40 IKEB COCc1cc(C)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N=[N+]=[N-])c12 15239991 FZSCFTQDYWPPFB-UHFFFAOYSA-N 429.505 6.671 30 40 IKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1C 17094586 CUMQCLRYQHMBMI-INIZCTEOSA-N 425.623 5.514 30 40 IKEB Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2ccccc2I)cc1 95101200 QQAJDRNOMIRYRC-UHFFFAOYSA-N 426.301 6.098 30 40 IKEB CCCCCCCCCCCCNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(C)=O 97997097 ZFYRMQFKUCQZMW-XMMPIXPASA-N 446.632 5.052 30 40 IKEB N#Cc1c(NC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)oc(-c2ccccc2)c1-c1ccccc1 101258867 SPLDJWQKNDEDDN-DZFGPLHGSA-N 438.483 5.179 30 40 IKEB aggregator CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@@H]21 101506873 DVJCYWWUKJRSJW-XUFREYRYSA-N 444.600 6.200 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 102532708 AATNAHBSEMHYAL-QOJBNDRUSA-N 448.475 5.272 30 40 IKEB CCOC(=O)c1c(C)oc2c1/C(=C\NCCc1c[nH]c3ccccc13)C(=O)c1ccccc1-2 102958290 LOORQDQPUJQCAW-RCCKNPSSSA-N 440.499 5.283 30 40 IKEB CC(/C=N\Nc1nnc(N/N=C\C(C)=C/c2ccccc2)c2ccccc12)=C/c1ccccc1 104079204 BPCYNUABEPJTQI-AUBKGTFFSA-N 446.558 6.632 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1 215266552 MYSYJWNCWOVBDX-KEBDBYFISA-N 438.867 5.847 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(OC)cc4)NC3=O)c2c1 408780624 GONAWLZICUDJTJ-HAHDFKILSA-N 448.544 5.537 30 40 IKEB Brc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 408979229 QFZIXZBAFHADIO-ZVHZXABRSA-N 425.395 7.371 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 409099489 NSYRTVDRZJWCKZ-KEBDBYFISA-N 443.355 6.219 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OC 409214529 VQRXLRIJVGTAQF-KEBDBYFISA-N 429.685 5.411 30 40 IKEB COc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1Br 409380812 ILLBULKNJNCDNC-WYMPLXKRSA-N 437.249 6.193 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(OCc2ccc(F)cc2)c1 409403546 MQVFDHYJUOSKPO-UHFFFAOYSA-N 449.485 5.664 30 40 IKEB CC(C)(C)c1cc(C(=O)/C=C/c2ccc(C(=O)O)c(OCCCN)c2)cc(C(C)(C)C)c1 1848349757 SCMXMXZHZNYFOT-PKNBQFBNSA-N 437.580 5.604 30 40 IKEB COC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N 1026311 DZFLLDPDTTZICH-UHFFFAOYSA-N 442.949 5.226 30 40 IKEB C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1C 2621836 KRNDXZUYEYJWLA-UHFFFAOYSA-N 435.907 5.215 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 2653540 NGCMESVYUHZREV-UHFFFAOYSA-N 448.910 5.692 30 40 IKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl 8831561 FOZAWMZPVJQGBW-AWEZNQCLSA-N 446.041 5.859 30 40 IKEB COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 8857108 CTIPLYGVRCKMJB-SXWXDVRUSA-N 431.488 5.157 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\Cc1ccccc1 13286179 MFFMEFJPFXZRQY-YJOHERITSA-N 444.025 5.983 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cccn1-c1ccc(Br)cc1 13941778 XLWSKUBLWXTHOA-PDGQHHTCSA-N 442.313 5.271 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccn4)c3C)S2)cc1 15225258 YHMVZBXKXHSXDK-KGENOOAVSA-N 432.549 5.088 30 40 IKEB N#C[C@H](N=C(c1ccccc1)c1ccccc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 16451208 LVIHSCNQUPCKOS-XTEPFMGCSA-N 435.958 6.923 30 40 IKEB C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC 23011494 JGQMVRMZGQYQPF-MHWRWJLKSA-N 443.503 5.556 30 40 IKEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(COc2ccccc2)o1 32912902 ZZBKUKZJPLGRDO-UHFFFAOYSA-N 425.444 5.478 30 40 IKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)c1 33027191 NAQXBSPILZBVCN-UHFFFAOYSA-N 425.488 5.565 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(Cl)cc2)cc1C 44859309 PKLYIZKICICVOF-HSZRJFAPSA-N 446.938 5.428 30 40 IKEB O=C1CCCC[C@@H]1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100115648 ZSCSEYRTJFTOQR-YFKPBYRVSA-N 444.187 5.054 30 40 IKEB CCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)S/C1=N\c1cccc([N+](=O)[O-])c1 103217420 XRDVLDXPUDTUDX-HHYPSQHASA-N 434.521 5.333 30 40 IKEB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1C#N 408575031 VPHNIQWCYQJWMD-HSZRJFAPSA-N 441.487 5.426 30 40 IKEB CCOc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408741994 UDJOPHIXRIUNIR-AWSUPERCSA-N 442.562 7.961 30 40 IKEB CCc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 408974872 HTQACUZKOKPYOI-ZTKZIYFRSA-N 425.601 7.492 30 40 IKEB C=CCOc1ccc(/C=C2\SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1Cl 408995944 FWGNYHRZTPMPDZ-RGEXLXHISA-N 441.936 5.448 30 40 IKEB CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 409022360 LLBOXWXPFAKBHM-JVWAILMASA-N 432.589 6.665 30 40 IKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409114499 KBEAFBVYKRBBLV-UHFFFAOYSA-N 432.520 6.085 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1Br 409211065 KLLQWXZOGGTWKA-CIAFOILYSA-N 425.164 6.313 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1C 409212353 QGRADZFQVKESPI-RPPGKUMJSA-N 428.315 6.638 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)c2C#N)C1 409214085 XWBKAMHDXSCUSC-HJQVIKLGSA-N 446.370 6.192 30 40 IKEB CC[C@@H](C)Oc1ccccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409295266 DNBPWQZKLJKRQO-GOSISDBHSA-N 437.499 5.869 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(C)cc2C)[C@H](C)O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)O 2037875001 HORMULPAGADLII-XXPWESIGSA-N 446.946 6.385 30 40 IKEB C=C1[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 1462545 RVFAOPJSTKZSIX-HOTGVXAUSA-N 430.118 5.680 30 40 IKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OCC)CCc1ccccc1-3 2372583 NFSSFHCYKUPWAF-UHFFFAOYSA-N 446.597 5.890 30 40 IKEB CCOc1cc(/C=N/c2cccc(Br)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 5948633 LNNYDECEZJUGGH-WSDLNYQXSA-N 442.269 5.694 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 8445584 JHZIQNXEODGTCH-DFXYEROKSA-N 447.534 6.621 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c2cc(OC)ccc21 9422406 GQWIGWHKQSVVMS-FOKLQQMPSA-N 449.503 5.007 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccc(F)cc2)cc1 9546505 JBTUOHMTNWAOJK-WXTAPIANSA-N 439.490 5.600 30 40 IKEB COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 12543867 YHODVLCQHZGXSH-UHFFFAOYSA-N 437.590 5.274 30 40 IKEB CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 14605389 GDMYJMAPRZGDDJ-AREMUKBSSA-N 431.580 5.075 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cc2ccccc2o1 15018914 FWIKZCMJVDDXSA-UHFFFAOYSA-N 438.940 5.570 30 40 IKEB C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 19901571 QBOYWXAEFZSXCI-OGLMXYFKSA-N 436.386 6.105 30 40 IKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1Cl 27061687 DKMODKNHXDWNDZ-FQEVSTJZSA-N 439.920 5.501 30 40 IKEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44085749 UBKLYJDDSISYJX-UHFFFAOYSA-N 428.901 5.029 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(OC)c1O 106733013 BWSYCGDPOBPLSR-NVMNQCDNSA-N 433.888 5.158 30 40 IKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]([S+](C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118933472 QQEZWWWECVMYAM-VFGXHBSASA-N 431.794 8.274 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccc(C#N)cc3)c(C#N)c2-c2cccc(OC)c2)cc1 408722341 HKZLFFHBKOSIIT-OCSSWDANSA-N 433.467 6.125 30 40 IKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl 408934345 AGKOMRFSYHGEMD-LNAYXSFYSA-N 440.974 7.482 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(O)c2)cc1C(C)C 409284306 QWJKBPLVDMCEGV-UHFFFAOYSA-N 427.504 5.092 30 40 IKEB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1 585292896 AZHGXZOSMNVQEK-VWLOTQADSA-N 439.563 5.750 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1ccccc1 1429560 IHGYYADFBJAGFF-GOSISDBHSA-N 430.573 5.662 30 40 IKEB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 3219223 LGKUDIHGIWPUOR-UHFFFAOYSA-N 444.556 5.802 30 40 IKEB C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1 6014663 AKOOWZMDMWNBHZ-FSGOGVSDSA-N 435.483 5.865 30 40 IKEB CCOC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N 8443102 YDQCASKWHQRYQD-CYBMUJFWSA-N 428.966 6.046 30 40 IKEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 12346920 WQOFDWNGZPMCLV-NRFANRHFSA-N 429.520 5.177 30 40 IKEB COc1cc(/C=N/OCc2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 12624743 VXENSAUCKQGHJR-RWPZCVJISA-N 446.547 5.497 30 40 IKEB O/C(COc1cc(Cl)ccc1Cl)=N\c1nc(-c2ccccc2Br)n[nH]1 12784193 GIDOCHYAAIWRIR-UHFFFAOYSA-N 442.100 5.208 30 40 IKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1O 13757076 JHPNMJNLVLGJJQ-BRJLIKDPSA-N 439.302 5.764 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1[N+](=O)[O-] 15912987 LMUZKRXGDJHSKX-PKNBQFBNSA-N 431.473 5.414 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1 16638594 LYMMHZGEUHKOOG-NLRVBDNBSA-N 432.476 6.134 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccccc2)N(C[C@H]2CCCO2)C1=O 19881093 SYSLHZGKUNLUIS-XUVMKFHYSA-N 442.968 5.522 30 40 IKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 33374233 KSBYPNSCAAKEAS-VMPITWQZSA-N 431.300 6.344 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 43867186 FELCJAPFJOPHSD-PYKACDHASA-N 440.712 7.204 30 40 IKEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cc(Cl)ccc1Cl 100512410 GVQHNTQEDHLCGI-JJIBRWJFSA-N 430.320 5.308 30 40 IKEB O=C1CCCC2=C1C(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o1)C1=C(CCCC1=O)O2 408604114 SOPSHKUROJFLKS-UHFFFAOYSA-N 439.851 5.636 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C(=O)N2C)cc1 408907108 LZMLXXWOEFSAIV-WNIMSWJZSA-N 432.520 5.947 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc(Br)cc1 409202824 SSCLDMPPNVKIHM-WGOQTCKBSA-N 438.365 6.740 30 40 IKEB Clc1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c(Cl)c1 409210303 JGFDBGRQCXNECF-OPEKNORGSA-N 425.142 7.630 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@@]21C 4743094 PATCHQOVVGUAJQ-HRSKRKKSSA-N 441.700 7.673 30 40 IKEB COc1cc(OC)c(NC(=O)O/N=C(\c2ccccc2)[C@@H](O)c2ccccc2)cc1Cl 5639613 ATRLTKZSJCYHPY-BZMGOTJRSA-N 440.883 5.044 30 40 IKEB CCOc1ccc2c(c1)C(=NNc1ccccc1Br)c1cc(OCC)ccc1-2 8721883 MFJLSQUEXOJLBF-UHFFFAOYSA-N 437.337 6.091 30 40 IKEB C[C@H](NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 8763344 ZTAJNUUCTRKCMJ-HVJIYZOHSA-N 429.545 5.090 30 40 IKEB COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)C[C@@H](C(C)(C)C)CC3)c1 8965037 KAXHYVZWVXAUCZ-SFHVURJKSA-N 448.657 7.134 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C 9953286 BESNSNGNYOEGRB-UHFFFAOYSA-N 446.576 5.474 30 40 IKEB C=CCOc1c(Br)cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 13914025 DAFRVSKAYITVMD-SCUMNGBJSA-N 434.418 5.717 30 40 IKEB Cc1ccc2c(c1)/C(=N\Nc1nc(-c3ccc(Cl)cc3)cs1)C[C@@H](c1ccccc1)O2 31939359 BQQIHSWUTSRNBS-JUEFXSDASA-N 445.975 7.112 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)s1 108019481 JYDOMNITMMCAAR-PYXFXZIOSA-N 436.606 5.543 30 40 IKEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2Cl)ccc1O 142773758 NCPYWLXAGXZIFS-DHRITJCHSA-N 426.303 6.163 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/C3=C[C@H]4C(=O)c5ccccc5C(=O)[C@H]4C=C3)c2C)c1 408738492 ZOCQXCWYXGJCDZ-QBKNECBYSA-N 434.539 5.895 30 40 IKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c(Br)c1 408783322 MRTPBKLRUAXLCA-FMCGGJTJSA-N 446.186 6.678 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O 408914650 VOMYDOYORQOQKJ-PIINERKHSA-N 444.600 6.807 30 40 IKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Cl 408945120 VXQCNZLOLGWAFJ-GYSZUQFISA-N 428.963 7.234 30 40 IKEB Cc1ccc(C)c(/N=C\c2cc(Br)cc(I)c2O)c1 409105334 MUNODCCYNVPFSC-LSCVHKIXSA-N 430.083 5.127 30 40 IKEB Cc1ccc(NC(=O)c2c(N=C3C(=O)Nc4ccc(Cl)cc43)sc3c2CCCC3)cc1 409136854 VDUDMEKYBFROSN-UHFFFAOYSA-N 449.963 5.914 30 40 IKEB CCOC(=O)c1cc(-c2ccc(/C=N/Nc3ccc(Br)cc3)o2)ccc1Cl 409203943 ZQGHEAJTPFMPSN-FSJBWODESA-N 447.716 5.985 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c(C)c1 409215315 XGYKWXSUWHSJBE-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cn3)c2C)S/C1=N/c1ccc(OC)cc1 409242439 UZJIXKTULDBMOF-YWIDBZNQSA-N 446.576 5.430 30 40 IKEB COc1cccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)c1O 409278363 DDWZARRZGYYGQK-UHFFFAOYSA-N 445.862 5.060 30 40 IKEB O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccccc1 3669533 MWXOYKBNFIYWBT-MHZLTWQESA-N 448.497 6.163 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C2/C[C@H](c3ccccc3)C(c3ccccc3)=C2Cl)c([N+](=O)[O-])c1 5340154 KNFNODSXKGDCHS-OILZTRLPSA-N 448.866 6.109 30 40 IKEB O=[N+]([O-])c1cccc(-c2csc(N/N=C\c3c(Cl)ccc(Cl)c3Cl)n2)c1 6148490 RTGZEBQEBUTHQQ-SCDVKCJHSA-N 427.700 6.125 30 40 IKEB CCCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 8384115 HUXPANHDIQORGD-JOCHJYFZSA-N 448.544 5.101 30 40 IKEB CCOC1=C/C(=C2/C=CC(=O)C(OC)=C2)C=C(Nc2cccc(C)c2)c2c(C)oc(C)c21 9065361 VHTYZDDJVHKENV-VXPUYCOJSA-N 429.516 6.015 30 40 IKEB N#Cc1c(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c2c1CCCC2 9158023 CCDWEYPOLRKWNU-UHFFFAOYSA-N 425.384 7.098 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2Cl)cc1 9261300 DTGOSLVVQYMMSV-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O 12629995 ZCMMOHVFOJDQGY-QRVIBDJDSA-N 428.513 5.735 30 40 IKEB Cc1ccc2nc3c(cc2c1)CN(Cc1cccs1)/C(=N\CCc1ccccc1)S3 13511093 RTMSJDWWPKHAOO-OCEACIFDSA-N 429.614 6.311 30 40 IKEB O=C(/C=C\Nc1ccc(-c2ccc(N/C=C\C(=O)c3cccnc3)cc2)cc1)c1cccnc1 16429890 YHXPDHJDRWYOGT-JTFWXBGUSA-N 446.510 5.761 30 40 IKEB COc1ccc(NC[C@@H](C#N)c2cc(Br)ccc2OCc2ccccc2)cc1 26895948 XWNIDARTXJVJLR-GOSISDBHSA-N 437.337 5.756 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3cc(C)ccc3C)NC2=O)c1OCc1ccccc1 27904228 AGSZEXNLOBCDSE-HZHRSRAPSA-N 444.556 5.783 30 40 IKEB Cc1cc(C)c2c(c1)/C(=N\Nc1nc(-c3ccc(Cl)cc3)c3ccccc3n1)C(=O)N2 46085375 CFKUZVRFIMRGIX-UHFFFAOYSA-N 427.895 5.335 30 40 IKEB CC(C)=NNc1nc2c(N3CCN(C(=O)c4ccccc4C)CC3)c(Cl)ccc2s1 72230158 NFRFKPFCFVFOKK-UHFFFAOYSA-N 441.988 5.028 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CC=CCC2)CC1 72345284 KSYMRSQJBLVOLN-QFIPXVFZSA-N 448.632 5.225 30 40 IKEB O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 100501670 SQYNIERFOHZXDA-LLVKDONJSA-N 436.057 5.127 30 40 IKEB CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)S/C1=N\c1cccc2ccccc12 100954706 BQLAPSVLVYMZJW-WNMDNWPKSA-N 439.540 5.583 30 40 IKEB O=[N+]([O-])c1ccc(Cn2cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 408589642 FFHPBPRGHQDCMF-ZMOGYAJESA-N 430.420 5.057 30 40 IKEB Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1Br 408728376 KQILCPLJGJQKAW-LQKURTRISA-N 441.328 7.307 30 40 IKEB COc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408740059 ICFPRJJMPQVYCG-DFKUXCBWSA-N 428.535 7.571 30 40 IKEB CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)N2C)cc1 409167620 IWTFGNJESHCOEH-JEBQXDLDSA-N 432.501 5.441 30 40 IKEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409237691 KXLHLWRFEVMLIP-VUTHCHCSSA-N 430.592 5.750 30 40 IKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1O 815818 ZUFFGJVOIPXCQQ-UZTOHYMASA-N 426.516 5.689 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)ccc1O 1830375 OMQQQKGMCLCRJR-PXNMLYILSA-N 442.846 5.355 30 40 IKEB O=C(Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1 2337808 KGCKHEAGJASTTJ-UHFFFAOYSA-N 438.266 5.501 30 40 IKEB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1cccc2ccccc12 3088886 QEGZEMGEBBNWRW-UHFFFAOYSA-N 445.334 6.390 30 40 IKEB COc1ccc(CNc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 8654624 IXUJYTWINBHXJO-UHFFFAOYSA-N 435.867 5.659 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 9197096 XYVFPVRNLYQKLA-RPPGKUMJSA-N 433.310 5.844 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@@H]2c1ccc(F)cc1 10035401 QXNPTXXBRHSOKJ-OAQYLSRUSA-N 434.540 5.368 30 40 IKEB CCCCCCCCCCCCOC(=S)SCC(=O)N(CCC#N)CCC#N 100932720 SJEJGWFYPGVJEH-UHFFFAOYSA-N 425.664 5.598 30 40 IKEB Cn1c(N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)nc2ccccc21 408659025 OQTNECMMUKGSEC-LQKURTRISA-N 440.934 6.405 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OCC 408724921 FACGFZIKVGEHGH-DZNDYGJHSA-N 444.556 6.293 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(I)c(C)c3)c2C)c1 408759455 FIKJVMDQPMXQDT-QRVIBDJDSA-N 428.317 6.066 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)N(CC)C2=O)c1C 408964247 CKSPKPWDCODEOE-VYYDMKJGSA-N 447.579 6.420 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1Cl 409012552 KFXHJSAUSCAKOR-FJSGEIGQSA-N 435.376 6.405 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409040166 HKZYDTJZOIVZDP-JQAMDZJQSA-N 428.735 5.633 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 409102317 RVIBKGXSRXWAOX-LICLKQGHSA-N 438.307 5.934 30 40 IKEB COc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 409202567 ROSXISBIINUAIS-LGJNPRDNSA-N 446.381 6.174 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409209598 GSJPOMQPIHJENH-MZJWZYIUSA-N 444.409 6.864 30 40 IKEB COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccc(C)cc1 2267408 CPPNJCAOVMBKSV-ZOODIOSSSA-N 437.564 7.403 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2 4065500 WPJSWEYGXJTELH-IVCQMTBJSA-N 435.354 6.973 30 40 IKEB Cc1cccc(Nc2nc(N/N=C/c3ccc(F)cc3)nc(N3CCC(C)CC3)n2)c1C 8442991 QYJBGIAESQEYCL-CVKSISIWSA-N 433.535 5.053 30 40 IKEB Cc1cccc(-c2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c3c2CCCC3)c1 8782169 BFUMQVPMTCBKHW-UHFFFAOYSA-N 439.411 7.407 30 40 IKEB COc1ccc(CN(CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1OC 9070952 RRSOUPVPFREUEZ-MRJKTFCFSA-N 449.639 5.108 30 40 IKEB CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1 9264280 IXTIJJBSFVIQTD-BCHFMIIMSA-N 441.531 5.773 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 9304640 VDFSRGUKTMXNFI-DZNDYGJHSA-N 444.556 5.551 30 40 IKEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)S2)cc1 9311179 JMTDRUQQMPIFQC-HAHDFKILSA-N 448.975 6.373 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccccc1C 9427257 GATRLGOAOSOWQI-JOCHJYFZSA-N 446.576 5.205 30 40 IKEB CCc1ccc(OCc2nnc(Sc3ncccc3C#N)n2[C@H](C)c2ccccc2)cc1 12749591 ZLBDBWDRDPLGIC-GOSISDBHSA-N 441.560 5.447 30 40 IKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2[N+](=O)[O-])cc1 15978903 KUBBNCXFWHQVPJ-UUILKARUSA-N 435.432 5.309 30 40 IKEB CN1CCc2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c(-c3cccs3)c2C1 19855876 UWKHUZDRQZNKFQ-UHFFFAOYSA-N 446.428 6.269 30 40 IKEB C=C(C)COc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20423812 RLWFSUWHKGQWJS-UHFFFAOYSA-N 426.560 5.189 30 40 IKEB Cc1noc(C)c1CSc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 48340774 VWMSFHJHKAYGGD-UHFFFAOYSA-N 444.478 5.384 30 40 IKEB CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc23)C[C@@H](c2ccccc2)CC1=O 100139603 JXMYHPMGFACJMR-OAQYLSRUSA-N 428.576 5.769 30 40 IKEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102649420 MZSMBVNVHXRFAN-LQQVSHDKSA-N 439.939 5.064 30 40 IKEB CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 408851508 KUPRFUOGSZFTJM-QQXSKIMKSA-N 434.561 6.037 30 40 IKEB O=[N+]([O-])c1ccc(Sc2ccccc2)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409110055 QJRMEMCMJQYLSS-UDWIEESQSA-N 439.409 5.008 30 40 IKEB COc1ccc(/C=C/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 1531163282 TUFLDABWJWRXLW-DIZWYFSQSA-N 440.341 5.012 30 40 IKEB C=CCn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC(C)(C)SC3 1295589 SMAMKPXYTTVUED-UHFFFAOYSA-N 444.647 5.513 30 40 IKEB C=CCN1C(=O)/C(=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 2073902 BXXRDAYKUQBRGG-YZYICMKNSA-N 437.524 5.398 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1Cl 2453721 CJTCLKREEGPQPM-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 2727238 IYEJGRKWWBTDBZ-QHCPKHFHSA-N 441.999 6.210 30 40 IKEB CCCCOc1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 3263299 MSINCAVDSRYLBE-WYMPLXKRSA-N 429.895 5.858 30 40 IKEB Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 3337261 TYDXGFMKADGECB-TURZUDJPSA-N 448.555 5.981 30 40 IKEB CN(C)c1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 8821193 PVEWWTSERBNDPI-SXGWCWSVSA-N 425.863 5.316 30 40 IKEB Cc1ccc(N/C=C2/S/C(=N\c3ccc(Br)cc3)N(C)C2=O)cc1Cl 8927948 FUVQAWZQDAPQMG-YWGDSDGQSA-N 436.762 5.557 30 40 IKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 11614478 MZVIOITUYFESGZ-CRALJOFWSA-N 441.483 6.181 30 40 IKEB C=C(Cl)COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 12693828 WIOOMJATZXGVOX-UHFFFAOYSA-N 432.303 5.138 30 40 IKEB COc1ccccc1CN1Cc2cc3c(C)ccc(C)c3nc2S/C1=N/C[C@@H]1CCCO1 13562178 YAFRQDZKKMPZOU-ZPKNHPDFSA-N 447.604 5.503 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc(C)ccc1C 14126799 XVUGFTUAQFNYEI-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 14133330 XFTSNTOODZDQLH-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 16449133 HLPMRGINIQLOSN-ZDLGFXPLSA-N 449.746 6.798 30 40 IKEB Cc1cc(C)nc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)n1 33735474 YZLFNGAMUUJRLD-SVQVGOSPSA-N 446.558 5.895 30 40 IKEB Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)c(C#N)c1-c1ccc(C(C)C)cc1 102341454 USOLBVYBTREFQK-HXHBTQRASA-N 434.561 5.570 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 226336078 KJPXVQNDFRDGCX-CMDGGOBGSA-N 437.717 5.433 30 40 IKEB Cc1ccc(/N=N\c2ccc(N=C[C@H]3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 408537372 VOAWKYRMZOMBMZ-LSTNGTEHSA-N 439.475 5.320 30 40 IKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933563 BIHALXIFIUSFDR-FOKLQQMPSA-N 431.717 5.959 30 40 IKEB CCCCCCCCNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408974632 FTHYGVFDHPSNDX-UHFFFAOYSA-N 437.547 5.970 30 40 IKEB Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1ccc(F)cc1 409079371 FPBYXHKQTOOMOG-AMUFHYMTSA-N 433.596 7.068 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1Cl 409082574 MMVRVYOPYPPAPX-SOMGSRHFSA-N 447.387 6.572 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1Br 409216631 KEWQWKRBEFTTES-SRZZPIQSSA-N 425.164 6.368 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 409217616 QTQCWGNDXZWUGC-JVWAILMASA-N 446.344 6.941 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](CCC)O[C@@H]1c1cc(C(=O)O)ccc1OC 585263970 RLFTVRMQCUMNQH-SHBJFUFKSA-N 428.956 6.653 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 861252 SSPBPHSKZQHDGD-XGCWNURASA-N 439.946 6.801 30 40 IKEB C=CCOc1ccc2c(-c3ccccc3)c(-c3cccc(Br)c3)c(=O)oc2c1 2529938 NPJZMRPTNZLSMF-UHFFFAOYSA-N 433.301 6.454 30 40 IKEB biogenic Cc1ccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc45)ccc3o2)cc1C 3113639 IRQQPESIJCBECP-FDAWAROLSA-N 426.519 8.169 30 40 IKEB COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1 8811869 NHOXYBMZTTUXEL-RPPGKUMJSA-N 449.765 6.358 30 40 IKEB O=C(Nc1cccc(Cl)c1)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8857177 XALPLJYVXBOZQV-GBPUDXIESA-N 432.820 5.419 30 40 IKEB N#Cc1ccc(CSc2nnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1 8900546 AEKSMWQYSWQZJG-UHFFFAOYSA-N 442.569 5.473 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 9067564 GGXZFQFEPIKPTM-NGOKVRLYSA-N 440.518 6.136 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 12500672 RGMAHYZLFCSNQQ-GXDHUFHOSA-N 444.918 6.106 30 40 IKEB CC[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)/C(=N/c2cccc(OC)c2)S1 17991176 AIBDGDCKNZTOLP-WOLPYFHWSA-N 430.573 5.869 30 40 IKEB COc1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccc(C(C)C)cc4)c3c2N)cc1 19940222 WCZLPIXJBACFDP-UHFFFAOYSA-N 442.544 5.362 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)c2cc(OC)ccc21 20649759 MMZUPYWJHZJXHG-VEMXNMSTSA-N 446.547 5.366 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 35238180 BKLPEKOJKKUVLX-VNSNFZHPSA-N 438.358 5.761 30 40 IKEB C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 40412528 ZUBZPUNHXGLZSQ-BHMAJAPKSA-N 440.712 7.205 30 40 IKEB biogenic CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc2[N+](=O)[O-])CC1 57315913 CIGHRVUKZWORFS-OAHLLOKOSA-N 438.553 5.141 30 40 IKEB O=S(=O)(NCc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)o1)c1ccccc1 98086649 YHZLNUVJYSNEOL-KOEQRZSOSA-N 432.501 5.301 30 40 IKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)cc1Cl 101650550 LUYOLLBGIJGUBR-FOFUNRBPSA-N 429.973 5.362 30 40 IKEB O=C1C(=O)N(c2ccccn2)[C@@H](c2cccc(Oc3ccccc3)c2)/C1=C(\O)c1ccccc1 102879548 QBAIHOWWWJMBPH-IUKMQXEJSA-N 448.478 5.500 30 40 IKEB CCCCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F 103526337 WOOBZEZUCFYHOZ-UHFFFAOYSA-N 428.614 10.396 30 40 IKEB CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C 113854116 BOICVNFMAIOCBA-AWQFTUOYSA-N 431.555 6.323 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 118916317 UELTYJDTQILMTO-UWOMPGFVSA-N 446.553 6.671 30 40 IKEB CCNC(=O)O/N=C1/CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)NCC)CC[C@]4(C)[C@H]3CC[C@]12C 118930657 SNAZURKPPNBWIB-XKEANTJWSA-N 445.604 5.166 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C 408561200 YVBOVPVVHHSLKP-UHFFFAOYSA-N 429.615 5.182 30 40 IKEB COc1cc(C)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1C(C)C 408912357 NFXXXEGZMFTNQV-JAYUVETPSA-N 436.621 6.695 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1 409209578 COEICJBESGNZRR-DHRITJCHSA-N 444.756 6.749 30 40 IKEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 409331388 CTWJEIQWOLSDEW-WYMPLXKRSA-N 446.568 6.147 30 40 IKEB Cc1ccc(Sc2ccc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 409407904 VYZPLGKOQVMIRJ-UHFFFAOYSA-N 437.524 5.998 30 40 IKEB C=C(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@@H](CCC)O[C@H]1c1cc(F)ccc1OCC(=O)O 2037879356 QTKCVCBGTGUWQI-VRKOAZSQSA-N 446.946 6.549 30 40 IKEB CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 1413305 HTCTYIXEIVFTFI-QFIPXVFZSA-N 432.907 5.189 30 40 IKEB Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)cc3)nc12 3115289 GCBFMHYRWXDEGB-FSJBWODESA-N 436.265 6.225 30 40 IKEB O=[N+]([O-])c1ccc2c(/C=N/c3ccc(-c4nc5cc(Cl)ccc5o4)cc3)c(O)ccc2c1 3205495 YNQGKEJAQQJSOH-LGJNPRDNSA-N 443.846 6.666 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1ccccc1 8395991 BRYNBLNOQPNQEA-BIFPGVLTSA-N 436.508 5.726 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8766004 SBRMDVPGUCOEJU-ZDLGFXPLSA-N 433.291 6.284 30 40 IKEB O=[N+]([O-])c1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1 8994318 VMSSRFACACSPJK-YXCSQOMQSA-N 446.510 6.701 30 40 IKEB COc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 9034210 ZYEATRUJSVVDHW-QEUXCTTPSA-N 431.539 6.802 30 40 IKEB C=CCOc1c(Br)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1OC 9056423 RSUUGFSWVFDJQF-YVLHZVERSA-N 427.294 5.312 30 40 IKEB Cc1c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccccc1 9261266 NSZQLECCNNSTQZ-BUVRLJJBSA-N 441.531 6.029 30 40 IKEB COc1ccc(-c2nc(N/N=C(\C)c3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 9348438 RVOFUNGRNDAQTH-CCVNUDIWSA-N 437.330 6.448 30 40 IKEB C=CCOc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 9374609 MCVMEIZKSYOKKH-NKFKGCMQSA-N 436.536 5.203 30 40 IKEB C=CCN(C(=O)CSc1nnc(-c2ccccc2C)o1)c1nc(-c2ccccc2)cs1 9644275 IRDIMHJZZFYSCP-UHFFFAOYSA-N 448.573 5.480 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C1CCCCC1 9983868 LELCTUIKPVUACS-UHFFFAOYSA-N 425.385 5.549 30 40 IKEB CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(CCCC)cc2)S1 12194659 GVCOBXZNLSJPRX-ZCBHOAFYSA-N 437.609 5.372 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 13097393 WWKNZHDBLFZQMI-UHFFFAOYSA-N 430.554 6.207 30 40 IKEB C=C1[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 13304914 RVFAOPJSTKZSIX-HZPDHXFCSA-N 430.118 5.680 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1Sc1ccc([N+](=O)[O-])cc1C=O 13573897 MEOXEEVLNODEMU-UHFFFAOYSA-N 435.408 5.572 30 40 IKEB C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 16736347 KXLSWFREAWKRQB-XMMPIXPASA-N 438.483 5.119 30 40 IKEB CCC(C)(C)[C@@H]1C/C(=C/c2cc(C#N)n(C)c2C)c2nc3ccccc3c(C(=O)O)c2C1 25426026 MRWPCWXVFOXYEM-ZYNFKGNASA-N 427.548 5.991 30 40 IKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 28182571 CWPWWNGWKLOONA-CFRMEGHHSA-N 434.536 5.131 30 40 IKEB Clc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccn3)c2-c2ccccc2)cc1 33497966 CFJFMMPAGXFEIT-AJBULDERSA-N 433.942 7.610 30 40 IKEB CCCCCCCOc1ccc(/N=[N+](\[O-])c2ccc(OCCCCCCC)cc2)cc1 95713255 RFRFUCJJSRXPEE-DQSJHHFOSA-N 426.601 8.311 30 40 IKEB CC(C)C(=O)NC(Nc1cc(C(F)(F)F)ccc1Cl)(C(F)(F)F)C(F)(F)F 100228502 BVRZMHARIKSGLA-UHFFFAOYSA-N 430.698 5.364 30 40 IKEB COc1cc(COc2ccc(Br)cc2/C=N\O)ccc1OCc1ccccc1 107842128 JQACGPSHFLNPGY-CFRMEGHHSA-N 442.309 5.424 30 40 IKEB COc1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc2c1OCO2 118913500 FBJLPYMCBZFUML-UKDVBGKFSA-N 436.592 6.419 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 123231570 VEEBKUQFPONGGR-CSYSQGNFSA-N 444.700 7.171 30 40 IKEB COc1ccc(-c2oc(/N=C/c3cccc(Cl)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 408719150 HYEJBXGMVAGKBP-MUFRIFMGSA-N 442.902 6.906 30 40 IKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C)c1 408774109 AADYBDCDVBQZDV-ZMOGYAJESA-N 425.326 5.702 30 40 IKEB CCOc1cc(/C=N/n2c(S)nnc2CC)ccc1OCc1cccc2ccccc12 408852022 PTKUAEDYPWOMHG-MFKUBSTISA-N 432.549 5.142 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408858634 ZSAKKLPUNVREFP-AUERHCTOSA-N 429.545 5.684 30 40 IKEB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408906882 DWDJMNQUMZXNQQ-NFEGURHZSA-N 431.473 5.105 30 40 IKEB C=CCOc1ccc(/C=C2/C(=O)C(C(=O)OC)=C(C)N2c2ccc(Cl)c(Cl)c2)cc1 408981884 CQNLYGBWBZQXBQ-NDENLUEZSA-N 444.314 5.435 30 40 IKEB COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 409218617 WGZPMSOEQIVSRC-VULFUBBASA-N 438.911 5.434 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OC 409347929 PBEIRKAGUVBGJE-UNOMPAQXSA-N 429.925 5.717 30 40 IKEB COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)c1 1439853 WZOYIUBDCZQEMK-HFJWLAOPSA-N 430.935 6.328 30 40 IKEB CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(/N=C/c4ccc(N(C)C)cc4)cc32)cc1 1608832 MRDRCYQHHJZNJG-BPEYOLBESA-N 443.594 7.139 30 40 IKEB COc1cccc(-c2csc(N3CCN(/C(S)=N/c4ccc(Cl)cc4)CC3)n2)c1 8685999 QXAYFXNFJKPWLE-UHFFFAOYSA-N 445.013 5.212 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 8919075 HKJLZQPFRGSVSO-OAQYLSRUSA-N 444.487 5.527 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2s1 9540323 HVBRSUZDFJMZNA-UHFFFAOYSA-N 428.970 5.599 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@@H]2c1sccc1C 12463227 MVOLPQKOUHRUSD-SFTDATJTSA-N 432.545 5.204 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(-c4ccccc4F)o3)c12 12676005 LYWRSNSSTWKIIR-WYMLVPIESA-N 425.463 6.079 30 40 IKEB C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@H](CN1CCOCC1)C(=O)c1ccccc1 13564406 FYGNZWIUSAWRQA-RRPNLBNLSA-N 439.555 5.041 30 40 IKEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 13750768 YNCSCLNDOVUXRG-UYRXBGFRSA-N 446.557 5.761 30 40 IKEB COC(=O)c1ccc(/C=C/c2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n23)cc1 15981135 NTYBSZYEHYCYGQ-DTQAZKPQSA-N 429.479 5.983 30 40 IKEB CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 17095574 IPSGGAFKZNYNAN-AWEZNQCLSA-N 427.595 5.050 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C 19643811 PVKTZYSQXFLDJZ-FQRUVTKNSA-N 445.559 5.399 30 40 IKEB CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 36611413 WXKCDJIXOMLWJQ-NUGSKGIGSA-N 444.866 5.425 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)c(C)c1 59247792 KUXKWDDZDNSLDX-BOPFTXTBSA-N 446.370 5.151 30 40 IKEB Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1C(=O)Nc1cc2ccccc2o1 67341129 YSBNHUCXLUSVAR-DHRITJCHSA-N 449.304 6.212 30 40 IKEB CCCCCCCN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 97949746 ZBSPOWLAHFWGDR-JOCHJYFZSA-N 438.572 5.927 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 98000391 PYOWUKQRZIPKDJ-UHFFFAOYSA-N 428.598 7.605 30 40 IKEB Cc1ccc([C@@H]2[C@H](Cc3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@]2(C#N)C(N)=O)c(C)c1 101874051 FVNDPQVCVJFAHY-NFWVVERESA-N 433.555 5.035 30 40 IKEB N#Cc1c(NC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)sc2c1CCCCC2 102617075 PDTHESGUVCMFFV-RNXMBNEDSA-N 447.442 5.951 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 223562626 YDKSGRIYQSCCOL-FRDWBBKPSA-N 442.603 7.739 30 40 IKEB C[C@H]1CC[C@@]23CC[C@@H]4[C@](C)(CC[C@@H]5[C@@]6(C)CC/C(=N\O)[C@H](C)[C@H]6CC[C@@]45C)[C@H]2[C@H]1OC3 257345413 SMVBJUJFMSJJCO-HTTBRQHSSA-N 427.673 6.927 30 40 IKEB CC[C@H](C)Oc1ccc(/C=N\c2ccc(I)cc2C)cc1Cl 409012329 QNWFYQATFMVGHU-GMDDEGIZSA-N 427.713 6.181 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409208130 BEWGNZHURJSUEW-FOKLQQMPSA-N 446.246 6.661 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 409405312 TYDLYHZMOVIELJ-UHFFFAOYSA-N 431.495 5.525 30 40 IKEB COC(=O)C[C@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O 524730585 OFKGYDCNJYZQLI-CWGWECIMSA-N 441.483 5.622 30 40 IKEB biogenic FC(F)(F)C1(C(F)(F)F)O/C(=N\C2CCCCC2)C(C(F)(F)F)(C(F)(F)F)O1 575372011 PEPLUYGLKLLGRG-FFFWXYFFSA-N 441.212 5.449 30 40 IKEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 826317 GDWRIOUHCKMNGU-JOCHJYFZSA-N 441.449 5.417 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C(C)C)cc1 1001569 NIHKSWNBESYGTQ-WNMDNWPKSA-N 449.620 6.080 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccco4)o3)c2C#N)C1 2396212 WELYEHZSADMFIF-LBPRGKRZSA-N 442.566 5.145 30 40 IKEB COc1ccc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1Br 3083394 CGQNYBLQVLRXQP-DHRITJCHSA-N 435.321 6.633 30 40 IKEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC1CCCCC1 4427622 UOIHMGVGVVIAEA-FRRISVFZSA-N 441.656 6.586 30 40 IKEB biogenic COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 6239693 ASNMIOZKMQRAME-QHCPKHFHSA-N 447.918 5.170 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1cccc([N+](=O)[O-])c1 8821195 HHXOZYWJFMCMJY-AUWJEWJLSA-N 427.791 5.159 30 40 IKEB O=C1/C(=C/c2cc3cc(Br)ccc3o2)Oc2c1ccc(O)c2CN1CCCC1 9576519 XQSFMPSDTNVLTQ-JAIQZWGSSA-N 440.293 5.113 30 40 IKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Br)c(Cl)c1 32100494 KQDLHPFVQQJSEJ-CSKARUKUSA-N 429.539 6.064 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc4ccccc4c3)c2C#N)C1 32124574 SNBVGCMWVLTGCW-GOSISDBHSA-N 434.630 6.655 30 40 IKEB COc1ccc(/N=C2\[C@@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 33435838 XDCJEFXHDHXMHZ-BFFRAMDSSA-N 445.607 5.885 30 40 IKEB O=S(=O)(/N=C1/CCCN1)c1cccc(Nc2cc(-c3ccccc3)c3ccccc3n2)c1 34889489 QBROUCKHPWGOOK-UHFFFAOYSA-N 442.544 5.116 30 40 IKEB N#Cc1cc2cc3c(cc2nc1SCC(=O)N(c1ccccc1)c1ccccc1)OCO3 35311863 JQRWLRSLEWMNEC-UHFFFAOYSA-N 439.496 5.292 30 40 IKEB Cc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c(C(=O)Nc3ccc(F)cc3)cnn21 44859177 ZKVQVYKECULKID-HSZRJFAPSA-N 444.510 5.241 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 59194465 MEBBRXWTMYKWCG-MFKUBSTISA-N 431.517 5.669 30 40 IKEB CCOC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1/N=C/c1ccccc1O 100209622 XHEDIQRJRMJXAJ-MZJWZYIUSA-N 429.394 6.131 30 40 IKEB O/N=C(\COc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(F)cc1 100467702 IGJKRFLPYHIMPY-VFCFBJKWSA-N 438.808 5.741 30 40 IKEB CCOc1ccc(Oc2c(/C=N/c3ccc(C)c(Cl)c3)c(C)nn2-c2ccccc2)cc1 102926335 YCHNPAGWOSDECU-OGLMXYFKSA-N 445.950 7.084 30 40 IKEB CCCCCCCCCCCCCCCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 105024464 DTSVPCHGCPYSSR-UHFFFAOYSA-N 425.997 7.886 30 40 IKEB CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCC#N 106733509 JCQPOYLRXWVWSR-ODLFYWEKSA-N 446.887 5.017 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c3ccccc32)c1 408541810 HUJCVNZHYHAPOM-VULFUBBASA-N 427.460 5.443 30 40 IKEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)Nc1cccc(Cl)c1 408805315 GDSOTGDEUKFPAO-ROTLSHHCSA-N 433.722 6.415 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3cccc(OC)c3OC(C)C)C(=O)N2C)cc1 409021285 ZYBXGVKKBVTBDH-KWKLDLJFSA-N 426.538 5.115 30 40 IKEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(C)c1 409101837 ZCGIRAFEALDLSZ-DHRITJCHSA-N 440.887 5.375 30 40 IKEB CCOC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccc(C)cc4)N(C)C3=O)o2)c1 409152774 LFKUTDZZRBAAAM-ZBNITPKASA-N 446.528 5.666 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 409209748 IGXMKORLQQPGBX-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1C 409382317 RRZDEOKRZNEUEI-DHRITJCHSA-N 437.883 5.633 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N\c3cccc(Cl)c3Cl)c3ccccc32)o1 409393858 SRQLWJMFLOBBMN-GATIEOLUSA-N 427.287 6.127 30 40 IKEB C=CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 1821946 CKFBEFCPOOEJPY-UHFFFAOYSA-N 430.573 5.554 30 40 IKEB C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)c1ccccc1 2662591 DIGBBIPABCKIHT-UHFFFAOYSA-N 441.556 5.685 30 40 IKEB Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 3145412 LYPHGUZTPGCWFX-UHFFFAOYSA-N 428.620 7.794 30 40 IKEB biogenic COC(=O)c1ccc(COc2ccc(/C=N/N=C(c3ccccc3)c3ccccc3)cc2)cc1 3250753 HIDBXDVDXWAOJR-TWKHWXDSSA-N 448.522 5.924 30 40 IKEB C=CCN1C(=O)/C(=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 8444669 CGLWHPDRLXTWGC-WEMUOSSPSA-N 441.556 5.533 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)c1C 8886303 NWCLVJQCBKLLNE-VGOFRKELSA-N 449.624 5.671 30 40 IKEB C=CCn1c(SCc2cn3ccccc3n2)nc2scc(-c3ccccc3)c2c1=O 9090772 HWZZENDUTNWDBF-UHFFFAOYSA-N 430.558 5.251 30 40 IKEB CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCc4ccccc4)nnc3c2CO1 9446651 CBOLXXKLUTYYHU-UHFFFAOYSA-N 441.560 5.488 30 40 IKEB C=CCn1c(SCc2csc(Nc3ccc(OC)cc3)n2)nc2sccc2c1=O 12549419 ITXONRPZUUNSOS-UHFFFAOYSA-N 442.591 5.145 30 40 IKEB Cc1cc(C)cc(-c2cc(/C=C/c3cccc(Cl)c3)c(C#N)c3nc4ccccc4n23)c1 12566405 GNZUKEZCCBPZTM-ZHACJKMWSA-N 433.942 7.467 30 40 IKEB CCCC/N=C1\S/C(=C/c2ccccc2OCc2ccc(C)cc2)C(=O)N1CCCC 35041941 IZKUGANWQBTSIT-KWPJTZOTSA-N 436.621 6.447 30 40 IKEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 96193277 WOVSQKCKRJFLLB-YBEGLDIGSA-N 431.275 5.063 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1cc(Br)cc(Cl)c1O 96640213 BQKVPNODWHEEJH-IOXNKQMXSA-N 438.587 5.181 30 40 IKEB C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 101253433 ZGLHBRQAEXKACO-DUJYGLMQSA-N 428.657 5.727 30 40 IKEB CCCCO[C@@H](C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103539397 KJCKRWOXJGZHJF-SSDOTTSWSA-N 432.245 5.607 30 40 IKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1Br 408766764 GDVUCTJRJFQAJA-FSJBWODESA-N 446.186 6.678 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Cl)c1O 408915375 XWWNYPFUDNYPBP-MSBDOUPJSA-N 430.957 5.623 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)S2)cc1 408949789 CFLXTVBEQPMURN-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB C=CCOc1ccccc1/C=N/Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1 408976078 OYMDHPCHGLRWLW-MTDXEUNCSA-N 439.584 7.105 30 40 IKEB COc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 409086639 RGEXIKQOAWZCEV-JTOGBTRBSA-N 446.616 6.911 30 40 IKEB C=CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1Br 409116818 MTKQJCAYJIDQMJ-UHFFFAOYSA-N 445.582 6.350 30 40 IKEB Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(C(C)C)cc3)c(C#N)c2=O)cc1Cl 409197307 BARPPIWYKVVLJV-XFFZJAGNSA-N 433.895 5.058 30 40 IKEB Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 409377802 KXEXENAORFYMDU-ZMFRSBBQSA-N 426.875 5.356 30 40 IKEB COc1ccc(C/N=C2/NCCCCCCOc3ccccc3Oc3ncccc32)cc1 643568909 PYTISQUIHRTQOF-UHFFFAOYSA-N 431.536 5.372 30 40 IKEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C1=O 2449068 XKAPBHMAWFSKNQ-WQRHYEAKSA-N 441.302 5.654 30 40 IKEB C=CCN/C(S)=N/N=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 2888693 KWPNXAVFAKPRIA-TURZUDJPSA-N 437.572 5.602 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1c(O)ccc2ccccc12 3042232 HPUBYKXZIYTAIN-QDJRPKQISA-N 445.569 5.706 30 40 IKEB Clc1cccc(Cl)c1CN/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 9196246 XYXFZBBQILXPMQ-WYMPLXKRSA-N 427.360 6.031 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 9319309 XOAAHTJFEJHVDY-JAIQZWGSSA-N 439.782 5.223 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1 9488025 ODYMRBPZHOQQTA-RXFWQSSRSA-N 447.534 5.699 30 40 IKEB C=CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1OC 13113282 SBHISCJGSCUUHI-INIZCTEOSA-N 432.549 5.293 30 40 IKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 13842863 YWHNMSAMIFVGHQ-UHFFFAOYSA-N 448.419 6.766 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(C)cc1 16788755 AUIZICGVNRNRNL-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB CCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(OCC)c1 59193760 AWYASSIIGZMZJR-FOKLQQMPSA-N 436.364 6.360 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 100953474 ULOYTUVYXLVYLM-ASBHVJNYSA-N 449.894 7.026 30 40 IKEB CC(C)(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102876755 TUTRMMMLFJNFFY-AYWGPLOBSA-N 426.516 5.001 30 40 IKEB O=C1/C(=N\c2cccc(Cl)c2)C[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 104358562 OYOJRJRPTJFBDY-MLQDUXEUSA-N 429.734 6.898 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)S/C1=N\c1ccccc1 208501828 POPFFTGKMYRTFP-NMRWETQTSA-N 445.632 6.722 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)S2)cc1 223601810 XLQNWKQAVWVYLN-QCYAWUEASA-N 447.648 6.696 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 224373311 WVVUPVOBFHHOIT-UHFFFAOYSA-N 444.915 5.113 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 245238789 AXNNSHMUJUSTKY-KEZZCTRTSA-N 434.620 5.744 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1Cl)C2=O 254348762 FYAPPFWDCSJLLT-YBNAQCJTSA-N 445.430 6.880 30 40 IKEB O=C1CCCC2=C1C(c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C1=C(CCCC1=O)O2 408603528 RNCQAWZIVPVFDE-UHFFFAOYSA-N 439.851 5.636 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)S2)cc1 408756665 TYMNTYOAVUDQMM-JLPGSUDCSA-N 429.589 6.111 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c([N+](=O)[O-])c1 408900078 SOXLVSSKIHKRKA-WSDLNYQXSA-N 426.816 5.181 30 40 IKEB CC(C)Oc1ccccc1/C=N\c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 408925402 KEFQNQGYRPWSCY-QRQIAZFYSA-N 432.589 6.095 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccn2)cc1C(C)C 409306496 PJMHADGWIIHGCI-UHFFFAOYSA-N 426.520 5.171 30 40 IKEB C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 752010 VMOSPCSOWBEFCJ-LGZXMISNSA-N 428.532 5.038 30 40 IKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 1095454 DVUCCWMTUFHVLB-OGLMXYFKSA-N 444.604 5.493 30 40 IKEB O=C(C[n+]1ccc(NC(=O)c2ccccc2)c2ccccc21)c1ccc(Br)cc1 1955995 AMBXNKMSKOUVPR-UHFFFAOYSA-O 446.324 5.025 30 40 IKEB N#CCCN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1ccc(F)cc1 2618434 NFKBSTZXQDRFFE-UHFFFAOYSA-N 448.548 5.536 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 4105615 WBJIULCREAZTCY-JXAXBCJLSA-N 433.533 6.004 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 8820752 AKFHZMOCYFHYTD-HAHDFKILSA-N 430.529 5.474 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 9237382 FELDPBAPVBFUGX-QFIPXVFZSA-N 440.524 5.696 30 40 IKEB COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 9362759 KIUQVNXXFIFBTF-QFIPXVFZSA-N 433.891 5.440 30 40 IKEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 9476703 UAFIWGJHPLSYQU-RMORIDSASA-N 434.875 5.710 30 40 IKEB COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 12745318 GSRYHTAHKLCQAW-VMPITWQZSA-N 444.459 5.019 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cc(C)ccc1C 13306284 RIPRXVWHSDLYBK-BEIQUOEZSA-N 425.579 5.306 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc(F)c2)cc1 102501023 VEXIJUURWJQFRF-JBCNATCCSA-N 444.487 5.370 30 40 IKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(OCC)c(OCC)c1 104380354 KWOGBSJMMJZMCI-QOMWVZHYSA-N 435.678 6.203 30 40 IKEB Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nc2c1CCC2 108078232 DHXIRIVKQGNJGI-AWEZNQCLSA-N 440.638 5.089 30 40 IKEB Cc1cc(Br)cc(Br)c1OCC(=O)n1cc(C#N)c2ccccc21 226362213 KNRMVSIWEDXWRB-UHFFFAOYSA-N 448.114 5.066 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)S2)cc1 408759028 WRTRQOFNEMRSSV-HAHDFKILSA-N 432.520 5.859 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408859363 STYRAWDOTIZYCS-CCWCNRGJSA-N 434.561 5.656 30 40 IKEB C#CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OCC 408962883 KXNZVJRECGVAPH-LDADJPATSA-N 447.343 5.296 30 40 IKEB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C#N)cc3)C2=O)cc1 408985027 KMFXZTNJEQPFQV-RCCKNPSSSA-N 426.903 6.082 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 409175931 FBNQQMVJYMABEA-VXLYETTFSA-N 440.908 6.017 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1-c1cccnc1 409294662 BYPVKNTZZWUKCV-UHFFFAOYSA-N 425.536 5.129 30 40 IKEB C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(Cl)c(Cl)c1 409329332 DXDXRGZZIZKMDH-UHFFFAOYSA-N 447.391 5.302 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)oc(-c2ccco2)c1-c1ccco1 409378626 QNUTXUMTEPQZLW-MZJWZYIUSA-N 428.831 7.335 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)o1 409408315 XPBLJLWSCLTUAE-UHFFFAOYSA-N 449.466 5.212 30 40 IKEB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)cc1C 606422407 XCOQGKATKGKZMC-UHFFFAOYSA-N 441.535 5.807 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 853745 WYHRPDDRWYVJSZ-QFQXNSOFSA-N 445.559 5.399 30 40 IKEB CCOC(=O)c1c(CC(C#N)(c2ccccc2)c2ccccc2)oc2ccc(OC)cc12 1074204 ZIVZXEHWIJPZAG-UHFFFAOYSA-N 425.484 5.670 30 40 IKEB C=C(C)CSc1nnc2n1-c1nnc(SCC(=C)C)n1-c1sc3c(c1-2)CCCC3 1247263 YCIZGKXWFYFWCC-UHFFFAOYSA-N 442.639 5.105 30 40 IKEB O=C(c1cc(Br)ccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cc2ccccc2o1 3219114 QHMHFCVYDZWXGM-ZEQRLZLVSA-N 449.300 6.097 30 40 IKEB biogenic CC(C)N(C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 3257024 URWPNNDADOWGAB-UHFFFAOYSA-N 430.529 5.308 30 40 IKEB COc1ccc(/C=N/CC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC 4026939 ODWKEQAUZHUXKA-MTVJJAAISA-N 425.569 5.510 30 40 IKEB biogenic COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccco2)cc1 6498943 VKWBHSAKGOIDEP-WXTAPIANSA-N 428.488 5.209 30 40 IKEB CCCCN(CCCC)C[C@H](O)Cn1cc(/C=C/C(=O)c2cccs2)c2ccccc21 8430750 DPWWHDCODBZROS-TWLJRWAQSA-N 438.637 5.862 30 40 IKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 8431764 OSOWLGLZNFHGQW-USXBGQAZSA-N 432.387 5.211 30 40 IKEB CCCC/N=C1\S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCCC 12275046 WUCQTZOFAOHSIX-OCIPIQTLSA-N 427.526 5.727 30 40 IKEB CN(C)C(=O)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 16163061 VOQLMDVYDIFDIX-CVXQDMMISA-N 443.528 5.556 30 40 IKEB CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 19890241 HVTAIGRGHPXRPF-JOCHJYFZSA-N 440.465 5.347 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2-c2ccccc2S1(=O)=O 33271945 LZWDCRXSTNGGJM-UHFFFAOYSA-N 448.544 5.088 30 40 IKEB CCCCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 33795693 HQSGZRRPIZGKIO-UHFFFAOYSA-N 428.956 6.427 30 40 IKEB N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)CC2)nc1 48301368 GCSBXATUNMEBSE-UHFFFAOYSA-N 430.939 5.056 30 40 IKEB O=C(c1ccco1)N1CCN(c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)CC1 100056820 NBVPADIKQMJPEO-AFUMVMLFSA-N 444.318 5.005 30 40 IKEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102732777 COKJKTOCEYAQRT-ZHHPLPSFSA-N 446.503 5.131 30 40 IKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 225752844 WSWDTMYLEPMYSC-UHFFFAOYSA-N 431.363 6.350 30 40 IKEB Oc1ccccc1[C@H]1O[B@@-]2(c3ccccc3)Oc3ccccc3[C@@H](O2)P1c1ccccc1 245380767 LAMSCGQCKVKHMM-MTQUHZNSSA-N 439.236 5.182 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)c(C)c1 408723757 KBEXGPWUBNXSMH-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)ccc1Cl 409036260 VESQSCRFFUWBQU-TXNBCWFRSA-N 433.667 5.222 30 40 IKEB N#Cc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc1 848720 QZZHQRRKNSEMKR-UHFFFAOYSA-N 441.800 5.192 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)ccc3o2)cc1 3084709 DOAIZHZYJVBXGL-FSJBWODESA-N 436.265 6.225 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1cccc(C)c1 3411698 CCIDKQFDVNFGCW-UHFFFAOYSA-N 446.576 5.474 30 40 IKEB COc1cc(/C=N/NC(=S)Nc2ccc(C)cc2)ccc1OCCOc1ccc(C)cc1 8984257 VGSZJSPEELZQRB-YZSQISJMSA-N 449.576 5.090 30 40 IKEB C=CCN(C(=O)c1cccc(I)c1)c1nc(-c2ccccc2)cs1 12531859 MEURTXNNFBTFBR-UHFFFAOYSA-N 446.313 5.248 30 40 IKEB C=CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)nnc1C1CC1 14242874 ANUXJQWHBYZGFG-UHFFFAOYSA-N 443.576 5.495 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccc(OC)cc4)ccc3C2=O)c2ccccc21 28182525 JTVMDZNYILMNGU-WGARJPEWSA-N 425.484 5.865 30 40 IKEB CC(/C=N\Nc1nnc(N/N=C/C(C)=C/c2ccccc2)c2ccccc12)=C/c1ccccc1 31669989 BPCYNUABEPJTQI-VMMUXPMXSA-N 446.558 6.632 30 40 IKEB N#CCCSc1ccccc1NC(=O)c1ccc(Cl)cc1I 78668647 AHGCFRBABCYRNF-UHFFFAOYSA-N 442.709 5.203 30 40 IKEB CCCCCCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 102562049 NGAYBUTVCQERTH-UHFFFAOYSA-N 444.446 8.176 30 40 IKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c1C 137888762 WHDRFNUQYCELMY-HOMFIKRPSA-N 427.982 5.930 30 40 IKEB C=CCOc1c(CC=C)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408771159 FSMQEDRKTGLAHK-GJISQHIDSA-N 436.577 5.151 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 408863794 UJMQKLILDHWRFW-SEWPQYCTSA-N 428.960 6.662 30 40 IKEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 408910520 GZDADBKSVVRGIX-BVGVAWRYSA-N 442.540 5.586 30 40 IKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)S1 408953505 PZORGWYODUYIHZ-STZFKDTASA-N 436.968 5.397 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(I)o3)c2C#N)C1 409081254 KFRJIJZZYRMWRO-JYQBEENSSA-N 438.334 5.719 30 40 IKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc2ncccc2c1 409213792 VPSMJJMIKOZVOB-FLSMQFACSA-N 432.593 5.731 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)cc2)cc1 409232147 NGOYLHSTZZVLIE-BKUYFWCQSA-N 436.989 6.691 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c(OC)c1 1448040 SZYVKFVRUYQEGK-RMORIDSASA-N 440.854 5.692 30 40 IKEB Cc1cc2nc(-c3cccc(/N=C/c4c(C)c(Cl)c(C)c([N+](=O)[O-])c4O)c3)oc2cc1C 3114214 SDBGMIZVNZUQLV-KBKYJPHKSA-N 449.894 6.746 30 40 IKEB Oc1ccc2ccccc2c1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 6473777 JFIAYZDAWAEUOS-WPWMEQJKSA-N 447.502 5.664 30 40 IKEB Clc1ccc(SC/C(=N\OCc2c(Cl)cccc2Cl)c2ccccc2)cc1 8925774 YGZZVBHGUYNGIP-NJNXFGOHSA-N 436.791 7.360 30 40 IKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1 9196555 ZLBJKDHGVYCNFS-BRJLIKDPSA-N 430.335 5.311 30 40 IKEB N#Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 13071099 TYERXZCUZGYGAL-SANMLTNESA-N 431.495 5.468 30 40 IKEB CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccccc2)cc1 13756997 OVIZWAHKNZVBBT-RSZPVBOMSA-N 446.623 5.104 30 40 IKEB C=CC/N=c1\scc(-c2ccc(OC)cc2OC)n1/N=C(\CC)c1ccc(F)cc1 16035647 XHVWJEVQWLKFFP-DUZZDETOSA-N 425.529 5.122 30 40 IKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccc3c(c2)OCO3)cc1 18196675 MYOJHVPITZDGNY-DEOSSOPVSA-N 441.531 5.418 30 40 IKEB COc1ccccc1COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182531 GILGVDMLVJYXSX-QFEZKATASA-N 425.484 5.691 30 40 IKEB C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nc2cc(Cl)ccc2c1=O 29279952 QIWCHOXXWZVWST-UHFFFAOYSA-N 445.331 5.232 30 40 IKEB COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 59463725 WGRSRDDYFFMEOS-AFUMVMLFSA-N 449.919 6.798 30 40 IKEB CCCCCCCCCCOc1ccc(C(C)=O)cc1OCCCCCCCCCC 82110898 IRHSVVJSRVPFGC-UHFFFAOYSA-N 432.689 8.928 30 40 IKEB C/C(=N\c1ccc(Nc2ccccc2)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643617 PGFCZIJNLPGHSQ-TWKHWXDSSA-N 445.522 6.581 30 40 IKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(Cl)cc1 408779046 PSRAKBWCUOQUJH-FDAWAROLSA-N 443.034 7.966 30 40 IKEB Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)o2)cc1C(=O)O 408858021 RECCUXARFXJMIU-MTJSOVHGSA-N 432.501 5.462 30 40 IKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CCc2ccccc2)C1=O 408909319 CMTPKZGMWCAJAM-WEOUEGTISA-N 442.584 6.240 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc3ccccc23)C(=O)N1C1CCCCC1 408912283 MVCWGUNVGFORSZ-HSHJPCDPSA-N 440.612 7.339 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409213644 UGDDLNBTGPFGPC-ZXVVBBHZSA-N 443.524 6.306 30 40 IKEB N#Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)s1 585294701 UGBDLTHGKSERSU-JOCHJYFZSA-N 445.592 5.812 30 40 IKEB CN1C(=O)C(=C(c2ccccc2)c2ccccc2)C(C(=O)c2ccccc2)=C1c1ccccc1 2077843 AIFHJMVROBNUNS-UHFFFAOYSA-N 441.530 6.255 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1C 4065387 HNEYUFJSHOMZMI-SLJQUXCSSA-N 449.645 6.610 30 40 IKEB C=CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 6073551 JRFWIZQRUXBMMG-UHFFFAOYSA-N 442.584 5.439 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 8427446 KMSCPNCYRAMNTM-SSDVNMTOSA-N 438.237 5.622 30 40 IKEB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1 9788857 ODUQVEBZACWQIX-AWEZNQCLSA-N 437.594 5.102 30 40 IKEB O=C1/C(=N\Nc2ccc(F)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 13774835 RASDSUHAVXAZJW-QLYXXIJNSA-N 438.915 5.442 30 40 IKEB NC1=C(c2nc(-c3ccccc3)cs2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)O1 16493310 HCIXTRIMNIKJHO-HXUWFJFHSA-N 445.500 5.167 30 40 IKEB O=C1/C(=C\c2ccccc2)CN(C(=O)Oc2ccc(Cl)cc2)C/C1=C/c1ccccc1 16953472 FNXCWBHQNWTCOR-BMJUYKDLSA-N 429.903 5.891 30 40 IKEB N=C1S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)[C@@H]1c1nccs1 33717739 JJVBZXDIBGVIOW-ZJVAWHCLSA-N 430.894 5.173 30 40 IKEB CC(C)c1ccc(CN(Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)C2CC2)cc1 57296820 IGSAAGVNYYTPEM-UHFFFAOYSA-N 446.620 5.148 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463742 TYKZFGOBXNNINF-AFUMVMLFSA-N 449.919 6.798 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)c(C)c3)c(C)c2s1 72228837 KBIYHEUMJCNKTA-WGARJPEWSA-N 444.988 6.090 30 40 IKEB N#Cc1c(/N=C\c2cc(Cl)cc(Cl)c2O)sc2c1CCN(Cc1ccccc1)C2 101757396 HOPHACXAULVFIX-RAWMCFOBSA-N 442.371 5.941 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(C(C)C)ccc1C 104163744 PAPMYSADPZWARE-UHFFFAOYSA-N 444.748 9.501 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Br)c1)C2=O 118916224 OMJIZRMQBBHMOY-IADOJVRWSA-N 441.453 7.444 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408819427 QTTWEMMTGFCLDG-BOPFTXTBSA-N 449.757 5.559 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N2CC(C)C)cc1 408914726 VXHDTKWVQGRFIP-FLSMQFACSA-N 434.536 6.654 30 40 IKEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 409076876 BQDDUDHCSKXVMD-ODLFYWEKSA-N 437.854 5.411 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 409091634 QUIYRLXIHJSHPL-HAHDFKILSA-N 439.898 6.417 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O 409100699 RSNPZUKOBBKWCU-BIFPGVLTSA-N 447.044 6.676 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc3ccccc23)C2=C(CC(C)(C)CC2=O)N1 2801351 KZZYBQRJDRGBDO-AREMUKBSSA-N 443.587 6.320 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1 3085175 TZSLCILXKHLQFZ-BHGWPJFGSA-N 425.257 6.161 30 40 IKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2cc(C)ccc2C(C)C)CC1=O 4910384 HLVDEGOYHNJLMV-NRFANRHFSA-N 431.580 5.439 30 40 IKEB CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1OC 6089736 UYDAAXFSHMLTJY-WGDIFIGCSA-N 446.572 6.135 30 40 IKEB Clc1ccc(CO/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)c(Cl)c1 8855355 KAGPQUHCKDXDLY-OPEKNORGSA-N 430.722 6.512 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1cccc2ccccc12 9418513 OOZGBWZBGQQILF-UHFFFAOYSA-N 426.488 7.146 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 10035308 KQYMAEBHQWVZEK-CLYVBNDRSA-N 438.527 5.762 30 40 IKEB C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 10233176 SWZZLHQBPWRKOK-OAQYLSRUSA-N 444.512 5.181 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(-c3ccccc3)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2 12347986 BLVYYHHPVIVNLD-DEOSSOPVSA-N 433.511 5.397 30 40 IKEB C/C(=N\n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C(C)C)c1ccc(C(C)(C)C)cc1 12661005 IEOJWEHROMLENP-DGWQKUEESA-N 436.581 6.004 30 40 IKEB COc1cccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1OC 13567898 DNOKZYVOVQIVTJ-QGZVFWFLSA-N 445.437 5.250 30 40 IKEB Cc1c(Cl)cccc1-c1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)o1 15015829 VTEIFAQAWSKGIB-ODLFYWEKSA-N 429.328 6.453 30 40 IKEB COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C)C3)c1 15946516 ZUJNXOYFMXQPHZ-WBILBPDKSA-N 434.561 5.893 30 40 IKEB O=C1C[C@H](c2ccco2)CC2=C1C(c1ccccc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 22469359 WYYCOWWTNRYIAQ-QZTJIDSGSA-N 425.484 5.361 30 40 IKEB CCN(CC)c1ccc(/C=N/c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 57527918 VHORGBOCHKIKPA-QUPMIFSKSA-N 426.608 5.606 30 40 IKEB Cc1ccc2c(=O)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)oc2c1 68591453 ZLLZVLPPDHUNGR-UHFFFAOYSA-N 444.652 5.931 30 40 IKEB biogenic C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1ccc(S(=O)(=O)C2CCCC2)cc1 98054606 GSLHEJVTWUKCFO-FOKLQQMPSA-N 446.787 5.594 30 40 IKEB Clc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 100492692 ZFQPOMJPQNFCKO-YAGSLNJISA-N 445.349 8.287 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H]1OC(=O)C(O)=C1O 100590636 LITUBCVUXPBCGA-CVDCTZTESA-N 442.593 5.405 30 40 IKEB endogenous,in-man CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 100856773 OERNSJQCJYSDMU-NKFKGCMQSA-N 439.646 7.140 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc2ccccc2c1 408751211 XTAQKIWJBGLACK-DICXZTSXSA-N 442.475 5.567 30 40 IKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=C3/SC(=Nc4ccccn4)NC3=O)c2c1 408789570 MMWLHHZORVOCBW-XSFVSMFZSA-N 426.501 5.130 30 40 IKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408855055 CVOQXTXISJNRTK-AUEPDCJTSA-N 432.263 5.758 30 40 IKEB O=C1C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)c2ccccc21 408915476 VXDRKFMZHYSOGD-UHFFFAOYSA-N 443.713 6.688 30 40 IKEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccccc1F 409040194 XYPJGXHSLIAEDR-WPDGFUPNSA-N 442.306 5.127 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)c([N+](=O)[O-])c1 409090191 MDFXFIBQDFEMSK-NKZWWHGNSA-N 447.560 6.998 30 40 IKEB C[C@@H]1CCc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c(C#N)cc2C1 688337 XPSXZBKURPIYAJ-MRXNPFEDSA-N 443.597 6.000 30 40 IKEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1OC 1080692 SQLADVRSVCXJAH-DEOSSOPVSA-N 425.488 5.225 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC 3146699 GHDFLDDQEXFYLU-HSZRJFAPSA-N 441.568 5.041 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 8820965 PRSXFKAYIBAQBU-UDWIEESQSA-N 443.355 6.707 30 40 IKEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(Br)cc1 8821168 XNRCNWDESAKXNR-ZROIWOOFSA-N 438.144 5.103 30 40 IKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCC(=O)c1cccs1 8965143 XVSGCDDUCJOZOS-UHFFFAOYSA-N 430.529 6.463 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccccc1)N(C(=O)Nc1ccc(Cl)cc1)c1ccccc1N2 9264175 JPBLRQVNZTYZAI-VWLOTQADSA-N 443.934 6.552 30 40 IKEB CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2Cc1ccccc1 9288231 MFAQQGXZODPUMT-QHCPKHFHSA-N 446.576 5.015 30 40 IKEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 19647221 XICDTYAETWKQBQ-CBZJRKILSA-N 448.501 6.072 30 40 IKEB C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Br)cc1 33906730 ZSXWMYUORRBFDB-OGLMXYFKSA-N 443.348 6.409 30 40 IKEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccc(C(C)(C)C)cc3)c2c1 35164839 OQHAFAPLAMIOPA-DEOSSOPVSA-N 446.547 5.001 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1ccc(Cl)cc1 35812647 PBWIWPQQXCPWJQ-UHFFFAOYSA-N 447.966 6.102 30 40 IKEB COc1cc(-c2cc(-c3cc4ccccc4o3)c(C#N)c(N)c2C#N)cc(OC)c1OC 96191665 CSFFHNYIGGEJAY-UHFFFAOYSA-N 425.444 5.118 30 40 IKEB CCc1ccc(/N=C2\S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 101513203 AINQTJXLCMPTIW-UINIZAEWSA-N 428.557 6.062 30 40 IKEB CCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103526083 JXIKOKQJJJIZMC-UHFFFAOYSA-N 444.466 9.326 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)S/C1=N/c1ccc(OC)cc1 105976613 PWIIMESHJDHVBA-LMDBJESCSA-N 447.354 5.090 30 40 IKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccc(Cl)cc1 223668537 DYZPCNYCELZHPB-UHFFFAOYSA-N 435.767 5.774 30 40 IKEB CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408674413 ZJSJQIDRZDNXJQ-YDXQKAQTSA-N 441.568 5.120 30 40 IKEB COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OC(C)C 408771562 HIMFTVUAQNQQGX-YVLHZVERSA-N 437.348 5.681 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)cc1 408775505 HPILHDHADKXYSP-OGLMXYFKSA-N 430.935 7.299 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409073766 IIWWFGDWRSVZFF-LPYMAVHISA-N 430.869 5.075 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)cc1C 409172821 LPXWMOZZGFZTFY-ZMOGYAJESA-N 441.556 5.819 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(OCc2ccccc2)cc1 409284838 RYJSZCVHDUZNHR-UHFFFAOYSA-N 437.543 5.905 30 40 IKEB CCN(CC)c1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 714604 SKKUHPMYBVGVIM-SANMLTNESA-N 444.575 5.244 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781189 VCCPBBWFNKCBSJ-AOMKIAJQSA-N 439.602 5.657 30 40 IKEB CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)c1 1434809 UEJVMKHATLIVQX-PIIWDFAUSA-N 440.543 6.073 30 40 IKEB CCCCCCCCCCn1c(O)c(C(=O)Nc2ccccc2F)c(=O)c2ccccc21 2335337 CZGZDAUXYZLKNH-UHFFFAOYSA-N 438.543 6.239 30 40 IKEB C=CCN1C(=O)C(c2cn(C)c3ccccc23)(c2cn(C)c3ccccc23)c2ccccc21 8398367 YLEVXVOCCSLZLX-UHFFFAOYSA-N 431.539 5.537 30 40 IKEB CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 9272883 YBKMOOLMLHACHQ-JOCHJYFZSA-N 432.907 5.189 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1 9380552 RWXQMXUNKHPHCM-OAQYLSRUSA-N 448.316 5.540 30 40 IKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 10119103 GNFLEUZBBUVLFZ-RWPZCVJISA-N 443.374 6.403 30 40 IKEB Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2SC(F)F)n(C2CCCC2)c1C 12478939 ALLVGJFBZYMRDK-UHFFFAOYSA-N 447.507 5.202 30 40 IKEB COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O 12661685 PFLCXOYUUHWAGR-FBFLDQKCSA-N 439.640 5.984 30 40 IKEB biogenic N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccc(Oc3ccccc3)cc2)c1=O 15911051 CVTCTIYFDUCKAZ-UHFFFAOYSA-N 442.858 5.091 30 40 IKEB CCCCCCCCCCCCCCCCCCNC=C1C(=O)N(C)C(=O)N(C)C1=O 33354661 AIHUKXCVLJFRLG-UHFFFAOYSA-N 435.653 5.772 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cccc(Br)c1 35647536 MTPQEMPMMMRWAB-MDWZMJQESA-N 428.138 5.648 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 83299342 FJRNGQCLICRDAM-MXAYSNPKSA-N 443.862 5.811 30 40 IKEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 102879649 XEWLVIYGZFVAIE-XKZIYDEJSA-N 430.289 5.458 30 40 IKEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCc1cccc(C)c1 137472247 RPSVBMORLRTSLT-GQNWJCCQSA-N 436.558 5.457 30 40 IKEB Cc1cc(C)c(COc2ccc(/C=C3\SC(=N)[C@H](c4nccs4)C3=O)cc2)c(C)c1 138024806 WNIVOEVYZGIUOH-XOBHVICXSA-N 434.586 6.065 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(Br)s1 408785816 ZPGPQDDZCPICRL-POHAHGRESA-N 434.167 5.709 30 40 IKEB C=CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 409029859 CQWBWCWSUXOJRC-GXDHUFHOSA-N 445.391 5.637 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409202879 SWZOWQKEMZMURQ-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1 409203626 ZKYYUNQMIJAJCP-WPWMEQJKSA-N 432.520 5.561 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1C 409211580 OHUJVNOUCMTTOC-LQKURTRISA-N 444.372 7.549 30 40 IKEB CCOc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1Cl 409281746 LQILUTUDJSAZBR-UHFFFAOYSA-N 443.890 5.744 30 40 IKEB C=CCOc1cccc(C=Nn2c([C@@H](C)CC)nc3ccc(Br)cc3c2=O)c1 409333969 KPVNWEUJOVHCLF-HNNXBMFYSA-N 440.341 5.120 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OC 409348243 SFDARYLNGXZKAF-ZHZULCJRSA-N 425.575 5.537 30 40 IKEB COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C/c1ccc(C(C)C)cc1)C3=O 1081803275 OFKGYDCNJYZQLI-CCULFSDZSA-N 441.483 5.622 30 40 IKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 2056721 DXECUDDQLCOJBO-PFITVWDTSA-N 438.270 7.126 30 40 IKEB Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)s4)c(C)c3)cc2C)s1 2181518 NMLKIBAQXDTWCF-DPCVLPDWSA-N 428.626 8.211 30 40 IKEB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2914929 RHNBRQVHDQNTMP-OEAKJJBVSA-N 433.485 5.902 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)c1 6442926 DBKOVHVHAYCADO-DEOSSOPVSA-N 430.548 5.246 30 40 IKEB Oc1ccc(Cl)cc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 6473793 ZYKKCZMVMOKYRF-ZVHZXABRSA-N 431.887 5.164 30 40 IKEB CC(C)OC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N 8451232 WUJHVZHEEBZVDZ-UHFFFAOYSA-N 442.587 5.413 30 40 IKEB CCCOc1ccc(/C=N/N=C/c2ccc(OCCC)cc2OCCC)c(OCCC)c1 12601207 QWEXSOKEUZYFCL-MKYUKRCKSA-N 440.584 6.295 30 40 IKEB COc1ccc(OC)c(-c2cs/c(=N\C3CCCCC3)n2/N=C(\C)c2cccnc2)c1 12660794 YNELKOSCJLJQDJ-DWMFQMKOSA-N 436.581 5.135 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S 13602801 CKWHIXFPAVHHHX-MOSHPQCFSA-N 445.993 5.705 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(Br)s1 13893774 JFKLCDVPSGHJRM-JOCHJYFZSA-N 438.390 6.973 30 40 IKEB Cc1ccc(-n2c(SCc3cn4ccccc4c3C#N)nc3ccccc3c2=O)cc1F 14801911 NPPBVOWZEALZRU-UHFFFAOYSA-N 440.503 5.250 30 40 IKEB O=[N+]([O-])c1cc(/C=N/N(Cc2ccccc2)c2ccccc2)ccc1Sc1ncccn1 15911538 BPNRHUGORVCAQP-WPWMEQJKSA-N 441.516 5.577 30 40 IKEB CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cc(C)ccn2)CC1 18148452 UDBWAKVDHVOHMF-UHFFFAOYSA-N 438.579 5.040 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)OC)s/c1=N\N=C\c1ccc(C(C)C)cc1 27018440 VFOVSNCOPHVUTF-ATCIDIOVSA-N 434.565 5.639 30 40 IKEB COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O 100179987 BUQGKAQAPLIGJV-AFUMVMLFSA-N 445.500 6.159 30 40 IKEB CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 100284436 QRRYWNQSMJSSHK-UHFFFAOYSA-N 444.571 7.133 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 100833339 IKKFUOGNXFMIHN-NKFKGCMQSA-N 439.646 7.140 30 40 IKEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 102484826 YNCMWBGODJXPGF-MOBKVPTQSA-N 448.906 5.150 30 40 IKEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2Cl)/C1=C(\O)c1ccccc1 102928762 CWFYZPLFQJOJOV-WOOAAIBNSA-N 428.271 5.208 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@H]12 252448901 SDYMIDMUFXWPCF-RLQYWUBHSA-N 438.514 6.415 30 40 IKEB Cc1cc(I)ccc1/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 408763080 HIPNBBODZXNOFA-FMCGGJTJSA-N 448.735 6.411 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c(OC)c1 408913849 RTGYQOOKLIIRFL-BOSNEQTGSA-N 444.556 6.129 30 40 IKEB CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OCC 408916113 UYFUZLDJVAUPOA-PKAZHMFMSA-N 448.588 6.427 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(OCc2ccccc2F)cc1 409092415 XVINRELDZCKPTE-RPPGKUMJSA-N 433.361 5.778 30 40 IKEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C1=O 409135372 UQJVQPCFNZTRFP-WOJGMQOQSA-N 447.318 5.050 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1O 409211888 PBQDNKSPPAVERN-MFOYZWKCSA-N 435.929 5.328 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OCC 409212962 NOVMMLIXCAKTHD-LPYMAVHISA-N 435.305 5.622 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(-c2cccc(F)c2)o1 409288616 IEYHBGIMGWQSAI-UHFFFAOYSA-N 449.441 6.091 30 40 IKEB Cc1cccc(NC(=O)c2sc(NC(=O)Cc3ccc(Cl)cc3)c(C#N)c2C)c1C 871214 DWSWOZQUYNVNNF-UHFFFAOYSA-N 437.952 5.632 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1F 2624554 MKLOZWYSUVEOOB-UHFFFAOYSA-N 444.535 5.668 30 40 IKEB O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)Sc2ccccc21 2901652 ZSBCAFVMOKKWIF-FOKLQQMPSA-N 436.363 7.326 30 40 IKEB Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 3663655 LWBIBTDQMPEYDR-KBKYJPHKSA-N 426.221 7.261 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 6196432 SXGKIBBXSOFHPJ-RUZDIDTESA-N 444.575 5.636 30 40 IKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820955 BOCVJFZGFVMNPJ-VCHYOVAHSA-N 433.291 6.284 30 40 IKEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc(OC)c1OC 13564294 YSPGOAKYORYANZ-QHCPKHFHSA-N 444.531 5.461 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 14163668 PMCSJVLUTVSTSD-BZQUYTCOSA-N 429.520 5.144 30 40 IKEB Cc1ccc(C(=O)C/C(=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(F)(F)F)cc1 16949159 PKLZNQISYWIZIV-BWAHOGKJSA-N 448.426 5.630 30 40 IKEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 20191488 MYOZFLRAXPPGAQ-XMMPIXPASA-N 434.580 5.039 30 40 IKEB O=C(C1=CN(c2ccc(Br)cc2)c2ccccc2S1(=O)=O)c1ccccc1 32984134 WUKWXKLMSIAXRH-UHFFFAOYSA-N 440.318 5.099 30 40 IKEB CO/N=C1\CC(C)(C)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc(F)cc1 33717373 AFUVBBWBUAGDTE-LHLOQNFPSA-N 441.344 6.369 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 59105836 GZASRQOAILNPRB-FYJGNVAPSA-N 449.463 5.205 30 40 IKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cccn1-c1ccc(Cl)cc1 59249546 BREZPACFMFOLNN-BOPFTXTBSA-N 448.762 6.329 30 40 IKEB FC(F)(F)c1cccc(CNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1 95691585 VISDITFGIKJSHQ-UHFFFAOYSA-N 439.281 6.298 30 40 IKEB CCOc1ccc(/N=C2/C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 102452757 WDDHFCKHYYDBCB-XTCLZLMSSA-N 425.315 6.060 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)S/C1=N/c1ccccc1 208450766 RUBFAVPGNPBNRC-GOESLVMASA-N 431.605 6.251 30 40 IKEB Cc1ccc(COc2cccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2)cc1 408532366 UMDGVGXJBYCAFT-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl 408572400 RARHHEQGVHJVHF-FQEVSTJZSA-N 444.944 5.212 30 40 IKEB N#Cc1ccccc1CO/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 408595297 LZKVJASEFPODPY-MUFRIFMGSA-N 426.903 6.495 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3ccc(C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722597 LRXDUTLBOQNHPB-WGOQTCKBSA-N 427.529 7.007 30 40 IKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 408738617 MMXJEVPVWYRSLY-WSDLNYQXSA-N 432.159 6.370 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c(OC)c1 408913815 ROPFASBNAUKCBT-HUOZHCEOSA-N 436.577 5.949 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(C)c(Cl)c2)c1 409210541 JJPAUJPYHCFSDR-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 409218333 UDCKABKOBFKSRX-KKMKTNMSSA-N 448.828 7.427 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)S/C1=N/c1ccc(F)cc1 409249044 JAMHVZURSPVDAE-YJECAWTJSA-N 438.549 6.502 30 40 IKEB CC[C@@H](C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1Cl 409277160 ZXUMNCJZVLUYIM-QGZVFWFLSA-N 437.971 6.157 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)c(C(=O)O)c3)c3ccccc32)o1 409392966 OLRDWSAUBDTWJA-GATIEOLUSA-N 436.851 5.171 30 40 IKEB CC[C@H](C)n1c(C)c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409404268 OZKXNCCWPDPTDL-IBGZPJMESA-N 434.543 6.180 30 40 IKEB Cn1cc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c2cc(F)ccc21 585294733 IOLVYNHEVUDIKJ-DEOSSOPVSA-N 426.499 5.060 30 40 IKEB CCCCc1ccc(CN2CCC(c3csc(Nc4ccc(C#N)nc4)n3)CC2)s1 585294764 JTNSTUDLWSUNIH-UHFFFAOYSA-N 437.638 5.937 30 40 IKEB N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1 981448 KSEKEIZJSKVVQT-JMIUGGIZSA-N 438.867 5.847 30 40 IKEB O=[N+]([O-])c1ccc(-c2csc(N/N=C\c3c(Cl)ccc(Cl)c3Cl)n2)cc1 6148925 IGIBFGNPVNUODV-SCDVKCJHSA-N 427.700 6.125 30 40 IKEB Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 8809788 JAHNEERZSBIKFN-DBUHZWLKSA-N 433.382 7.879 30 40 IKEB CC(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc1 8867524 DSEOJZABDZMXKF-MFKUBSTISA-N 446.601 6.693 30 40 IKEB O=S(=O)(/N=C(/SCc1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F 12574679 SXONEZBZDKXDQY-HIXSDJFHSA-N 437.920 5.687 30 40 IKEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 13147976 WTCGDZPSPLEHQS-QFIPXVFZSA-N 430.964 6.123 30 40 IKEB C=CCc1cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1OC 44843088 HQUVVMREUZNZHT-UHFFFAOYSA-N 427.544 6.205 30 40 IKEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)c1 83309964 IXBAABFMAYLEHK-QFEZKATASA-N 443.616 6.088 30 40 IKEB CCCCCCCCCCCCCCCCCC[n+]1ccc(/C=C\c2ccccc2)cc1 100028658 NPLISAHFBGJFLE-VHXPQNKSSA-N 434.732 9.406 30 40 IKEB CCCCCCC/N=C(/CC)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 100698022 SAVMAVGCQZBMKQ-QFEZKATASA-N 438.519 5.964 30 40 IKEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 102619019 ZEPFUZRFCKHNMF-JBCNATCCSA-N 437.854 5.114 30 40 IKEB CCCCCCCCCCCCNC(=O)c1c(O)n(CCCC)c2ccccc2c1=O 102685186 UYKWCTJIXSEXFK-UHFFFAOYSA-N 428.617 6.158 30 40 IKEB N#Cc1c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 111916096 CBFQKOVDLZYKFX-JFLMPSFJSA-N 427.847 6.797 30 40 IKEB COc1ccc(Br)cc1[C@@H]1Nc2c(C#N)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21 408760149 SIRIPDRCWPLQAQ-QEEYODRMSA-N 426.270 5.064 30 40 IKEB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3C#N)S2)cc1 408776568 VZWKDFXKHCAXML-LMSRTUJASA-N 441.556 5.299 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1O 408859237 RGNFSMATMMBLFT-GCTLURRCSA-N 436.577 5.974 30 40 IKEB Cc1cc(C)c(COc2ccc(/C=C3\SC(=Nc4ccccc4F)NC3=O)cc2)c(C)c1 408879743 FFGFOYDQTWEWNV-OYKKKHCWSA-N 446.547 6.222 30 40 IKEB O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 409016479 CRYBPUBPGGIQEV-NMRWETQTSA-N 440.499 6.894 30 40 IKEB C#CCOc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC 409106087 LZDIHJBDYXRSJG-BHGWPJFGSA-N 441.793 5.124 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(C)c1 409211183 LBLJEQDVGRFVHN-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Clc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 409216433 IFQNHBZZKRSTGB-WYMPLXKRSA-N 435.148 7.086 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1 409218202 ZEMXJKOMECVDRH-JFLMPSFJSA-N 444.358 7.120 30 40 IKEB O=C(C(=O)c1ccc(C#Cc2ccc(F)cc2)cc1)c1ccc(C#Cc2ccc(F)cc2)cc1 2304154 YRMRMRMSNRNNNK-UHFFFAOYSA-N 446.452 5.830 30 40 IKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(c1ccccc1)c1ccccc1 9095308 BNQQRPLVSYHYJD-UHFFFAOYSA-N 443.934 5.737 30 40 IKEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3cccc(Cl)c3)nn21 9731824 RPFCIOZSOQYZED-NRFANRHFSA-N 434.927 5.265 30 40 IKEB C=CCN(C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccccc1 12564296 GXLLVSYIGCWICX-UHFFFAOYSA-N 443.344 6.497 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(Cl)c1 13803755 RKIOVOIARZAAQR-UHFFFAOYSA-N 426.973 5.639 30 40 IKEB Cc1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccc(C(C)C)cc4)c3c2N)cc1 20131516 HFIHHZAWPCHJDQ-UHFFFAOYSA-N 426.545 5.662 30 40 IKEB Clc1ccc(CO/N=C(\CN2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 22872905 LQRDOURQCAQITO-BYCLXTJYSA-N 433.983 5.079 30 40 IKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccco2)cc1 30823021 GSQCDUNITFNFSV-RUZDIDTESA-N 426.516 6.045 30 40 IKEB N#C[C@@H](C(=O)CSc1nc2cc(Cl)ccc2s1)c1nc(-c2ccccc2)cs1 40024268 UHWHJJDUYLICAF-AWEZNQCLSA-N 441.990 6.042 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)CSc1nc(C)cc(C)c1C#N 97956262 FFDOOHRPIZHWIL-UHFFFAOYSA-N 445.717 7.260 30 40 IKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3C(=O)[C@@H]4C[C@](C)(C(C(=O)O)=CC4=O)[C@@H]3CC[C@]12C 100236107 CPOBSJFACVUGSW-FYKLAOLESA-N 428.613 5.697 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)sc1C 102401902 MXMUOWKXALQQEG-JBCNATCCSA-N 432.545 5.510 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 102802092 VOMFAYTUGPHXMZ-AYWGPLOBSA-N 446.934 5.341 30 40 IKEB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(/C)CC/C=C(\C)CC[C@@H]1OC1(C)C 256365306 QYIMSPSDBYKPPY-PVLLYBRWSA-N 426.729 9.816 30 40 IKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408856901 LXUIIKLQOBDNAM-VROXFSQNSA-N 431.275 5.548 30 40 IKEB C=CCc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(OCC)c1OCC 409068522 RUHJIDZCAKCMSE-UHFFFAOYSA-N 435.564 5.256 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1F 409219795 UVCDAGJUJQAXCL-VULFUBBASA-N 442.328 6.625 30 40 IKEB COC(=O)c1ccc(C)c(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409375553 MKIUUSGYSBPRCD-JFLMPSFJSA-N 430.504 5.167 30 40 IKEB COc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)c1OC(C)C 409404727 QULISXJXZQBKRD-UHFFFAOYSA-N 447.922 5.395 30 40 IKEB COc1cc(C(=O)Nc2cc(C#N)ccc2Sc2ccc(C)cc2)cc(OC)c1OC 1383039 QHGBTCQFNNTTFK-UHFFFAOYSA-N 434.517 5.296 30 40 IKEB N#Cc1ccc(C(=O)Nc2ccc(-c3csc(NC(=O)c4ccc(C#N)cc4)n3)cc2)cc1 3299346 UKHLHNMUONSEIE-UHFFFAOYSA-N 449.495 5.058 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 8821136 HEAQJOHYJCQATK-NVNXTCNLSA-N 440.830 5.037 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 8861289 VVOWAHOVWWCWRD-NSKAYECMSA-N 443.303 6.338 30 40 IKEB Cc1cc(OCCCOc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1Cl 8958983 RUAKEVKLRHDZSC-PCLIKHOPSA-N 439.899 5.851 30 40 IKEB Cc1ccc(COc2ccc(/C=N/Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 11992146 XOBITHPEXNVHBZ-VULFUBBASA-N 433.964 6.797 30 40 IKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@@H]1C 12660275 KXDYHZVEOJTNPL-CVLVPHFFSA-N 441.656 6.539 30 40 IKEB biogenic C#CCN1C(=O)S/C(=C\c2cc(CC=C)c(OCc3ccccc3)c(OCC)c2)C1=O 15012756 MFCQJBVXEFPPQA-JWGURIENSA-N 433.529 5.062 30 40 IKEB Cc1cc(-c2ccc(/C=C3\S/C(=N/c4ccccc4Cl)NC3=O)o2)ccc1[N+](=O)[O-] 16283210 WHWAPFYASGRGBF-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(OC)c(Br)c1 27241022 QDWOKDYVYYIVGH-UHFFFAOYSA-N 430.371 5.118 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)SC1=S 58822017 ZGUKBPJMUDVKIC-LDADJPATSA-N 431.966 5.315 30 40 IKEB Cc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C 101650986 SLZPGWNZZGPDGQ-OCLJWFPGSA-N 436.364 5.200 30 40 IKEB CCc1cccc2c(C(=O)[C@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)c[nH]c12 103780593 CZDKSFLUIGHYEU-LJQANCHMSA-N 445.906 5.563 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/C(C)=C/c1ccccc1 104376686 AVFQNOCRESGCFT-VAGPPZDSSA-N 443.745 8.021 30 40 IKEB CCOc1cc(C#N)cc(I)c1OCc1ccc(Cl)c(Cl)c1 226327445 KYQQMNOBVPIJQI-UHFFFAOYSA-N 448.087 5.447 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)c2C)cc1 408767042 VACZMMAAAQWAHG-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB CCn1c2ccccc2c2cc(/C=C3\SC(=Nc4cc(C)ccc4OC)NC3=O)ccc21 408847321 TWWBVXFOVVWPGA-IWIPYMOSSA-N 441.556 6.023 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(OC)c1OC 408910247 GMPSEJIWNXLFNM-PGBYLALNSA-N 426.538 5.033 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 408963875 DMGDQXGVHNQZFA-HYARGMPZSA-N 445.500 5.374 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 409172140 IJRBARCCMZLCKC-AFUMVMLFSA-N 449.535 5.798 30 40 IKEB CCN(CC)c1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)o1 409282063 ORUHQJIUVJQQCX-UHFFFAOYSA-N 426.476 5.131 30 40 IKEB Clc1cccc(Cl)c1/C=N/N1CCN(/N=C/c2c(Cl)cccc2Cl)CC1 1700807 FWAVDYMDHKDANB-ASIDMNOUSA-N 430.166 5.286 30 40 IKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1Br)Nc1ccc3ccccc3c12 2071142 MHUMJMPOTSSEDX-DEOSSOPVSA-N 432.361 6.912 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(C)cc1 2450500 UEDMWZWQWHSBGG-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1Sc1ccccc1 3028608 RPYSKTGEIVKIPN-FSJBWODESA-N 433.316 6.604 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)cc1 4065026 PUBGMKLSHJCVGM-DNOBIOAJSA-N 442.515 5.389 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cc([N+](=O)[O-])ccc1Cl 6077113 ROABCZJZJLHQTN-DEOSSOPVSA-N 432.907 6.711 30 40 IKEB CCNC(=S)N/N=C/c1ccc(CC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 8895491 FCTUTHSNKUNEIZ-LGJNPRDNSA-N 432.033 5.731 30 40 IKEB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9575283 SCVOZDPFOPEBOP-ASSNKEHSSA-N 441.314 5.954 30 40 IKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1NC(=O)c1ccco1 9679406 HAPSWGJVUXSUDM-UHFFFAOYSA-N 433.467 6.180 30 40 IKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1 12652104 IMIYEASXSPIHHA-SANMLTNESA-N 442.946 6.469 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3/S/C(=N/c4ccccc4)NC3=O)cc2[N+](=O)[O-])cc1 32124610 XYJNCYNMCLDGHU-KGENOOAVSA-N 447.541 5.946 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 33268242 NXUQUBQNTFOZOO-QHCPKHFHSA-N 444.510 5.241 30 40 IKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)cc1C 101650294 XSXWAWOVUMWUCU-XGTYDZQNSA-N 436.364 5.200 30 40 IKEB CCCCCCCCCNC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 102579733 LHGFNDROADQXDN-UHFFFAOYSA-N 431.537 5.315 30 40 IKEB CCCCCCCCCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 102818198 XWRSAOLWIZLAPW-UHFFFAOYSA-N 430.552 6.063 30 40 IKEB C(=N\CC/N=C\c1cc2c(c3ccccc13)CCCC2)\c1cc2c(c3ccccc13)CCCC2 104319690 VWIPOQXEVCQEGP-YWQXDYITSA-N 444.622 7.289 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)c(C)c1 223553987 GIOREIQBTMCKAQ-QCYAWUEASA-N 447.648 6.696 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3ccccc3F)C(=O)N2c2ccc(C)c(C)c2)cc1C 408975668 BYHWNYMIKKNCLW-AHHHDHMGSA-N 430.548 6.868 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccc(Cl)cc1 409109805 LUYSEFXALDCOHX-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409214466 XWLPOVYXZGRRFR-ZMOGYAJESA-N 426.856 5.595 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)S1 409232863 SOVVSVNVHFZSBN-CIAFOILYSA-N 437.952 5.653 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)cc2)S/C1=N/c1ccc(F)cc1 409250562 XILZZJAKEWTWEW-AOFZEWBLSA-N 446.547 6.337 30 40 IKEB CC1(C)OB(c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C 1772502161 GIXXBDVXWFBYRZ-UHFFFAOYSA-N 445.371 6.750 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 1784006 BWGOAKXXXQUWAN-UHFFFAOYSA-N 444.600 5.944 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(OC)cc1 2452843 KCKRGPNDSCNWIK-UHFFFAOYSA-N 442.972 5.141 30 40 IKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1/N=C/N1CCOCC1 3192923 UATPIXJQBSACKI-MWAVMZGNSA-N 438.575 6.191 30 40 IKEB CCN/C(S)=N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4136664 NNQNRYRVBVWMBP-JZZXMACJSA-N 427.577 5.272 30 40 IKEB CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCN3CCCCC3)n2)cc1 6090115 HFWWEJZKHMIBEY-UHFFFAOYSA-N 443.616 6.264 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1cccc2ccccc12 8821206 PLWICSLOCJTYQT-VCHYOVAHSA-N 432.854 6.404 30 40 IKEB CC1N(/N=C\c2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1/N=C/c1ccccc1 17140774 ZFJQYECGRCXXIO-XAYVLMAUSA-N 444.582 6.501 30 40 IKEB O=C1CCCC2=C1[C@H](c1cccc(Oc3ccccc3)c1)c1c([nH]n(-c3ccccc3)c1=O)N2 18196609 YTTZVWJKAJHGPI-DEOSSOPVSA-N 449.510 5.522 30 40 IKEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@@H](c1cccs1)N1CCCCC1 35671635 CKKDBZCUEXCCPG-IBGZPJMESA-N 442.972 5.479 30 40 IKEB CC(=O)O[C@H]1C=C2C(=O)C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1 39414522 HTZDJVPKUOXQMG-ZHERTXFJSA-N 442.684 7.139 30 40 IKEB COc1cc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1OCC#N 50820147 RSXUDLPJLIXKTL-VKAVYKQESA-N 438.512 5.672 30 40 IKEB CCCCCCCn1c(CCC)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 97953126 SFYCJEZIBZSPNA-UHFFFAOYSA-N 427.614 5.780 30 40 IKEB CCCCCCCCN(CC)CCOCCOCCN(CC)CCCCCCCC 100925343 XGEWVZWMMSOGHU-UHFFFAOYSA-N 428.746 6.384 30 40 IKEB CCCCCCCCCC[C@H](C(=O)OCCCC)P(=O)(OCCCC)OCCCC 104332866 LDUMVHJBGPZORD-HSZRJFAPSA-N 448.625 8.056 30 40 IKEB CC(=O)O[C@@]12C[C@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@@H]5[C@@H](C)CCCC(C)C)[C@@]3(C)C[C@H]1O2 118936348 WJIXKJVODIQPNM-GKXNGOJCSA-N 444.700 7.376 30 40 IKEB Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)cc([N+](=O)[O-])c4C)o3)S2)c1 408720660 BLGVGCAHVFPWOQ-UUYOSTAYSA-N 447.516 5.980 30 40 IKEB COc1ccc(C2=C/C(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)O2)cc1 408742164 NNBWMPJVOJAVDD-HYARGMPZSA-N 432.479 5.551 30 40 IKEB O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\c2ccccc2F)N1C1CCCCC1 408849060 UEFIEHUQVGSZBQ-ORVWWNJKSA-N 430.932 6.121 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(CC=C)c(OCc3ccc(C)cc3)c(OCC)c2)C1=O 408917993 DVODIEUJATYYBO-XQNSMLJCSA-N 447.556 5.371 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)c1C 408967576 RAYPAHJUFCSXPR-IXQMQDOZSA-N 443.616 6.507 30 40 IKEB COc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 409084362 BIQAQPHMPUGISA-ROTLSHHCSA-N 428.941 5.563 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OC 409314592 LOZVSGNCMWRTSL-GFCCVEGCSA-N 448.748 5.217 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2O)cc1Cl)Nc1ccccc1F 409379035 UMSUMYRLHGHPME-GATIEOLUSA-N 433.266 5.606 30 40 IKEB COc1ccc2[nH]c(CN3CCCC[C@H]3c3csc(Nc4cc(C#N)ccn4)n3)cc2c1 585293917 BTOSFIFJWBBMJN-QFIPXVFZSA-N 444.564 5.370 30 40 IKEB C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(=O)O 1570003501 XECNEFSRQDLYQD-WEYBXTSPSA-N 444.656 6.023 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 681885 FZOQITOWFUELIN-PZGXJGMVSA-N 438.571 6.798 30 40 IKEB COc1cc(/C=N/n2cn[nH]c2=S)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1915915 ZQYVCTIXHAAALE-QPJQQBGISA-N 443.743 5.371 30 40 IKEB COc1cccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c1 3081522 ILOPUQYPAWQKGW-RMQWKZBYSA-N 436.305 5.827 30 40 IKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc([N+](=O)[O-])ccc1O[C@H]2c1ccccc1 3669377 IFJGOADHVDIMSW-DEOSSOPVSA-N 446.547 6.407 30 40 IKEB CCCCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCCCCC)cc3)C2=O)cc1 8454836 FETMZSSJZUELET-GEECTANVSA-N 446.631 8.045 30 40 IKEB Cc1ccccc1N1C(SCC(=O)O)=N/C(=N/c2ccc(Cl)cc2)C12CCCCC2 8986274 FEIRQGDVWNVJAJ-NJNXFGOHSA-N 441.984 6.075 30 40 IKEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCCC1 9065182 NRXSHTMQYCWAJB-LPWJOBEDSA-N 441.656 6.540 30 40 IKEB COc1ccc(OCCCOc2ccc(C)cc2)c(/C=N/Nc2nc3ccccc3s2)c1 12464195 TXCWOMLOVXZTKQ-YZSQISJMSA-N 447.560 5.907 30 40 IKEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC 12564543 NVVFSBTXPUHOMW-DEOSSOPVSA-N 447.510 5.292 30 40 IKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O)CC(C)C 28182432 FTSBTGHEAVTOLG-ROTLSHHCSA-N 432.564 5.614 30 40 IKEB CCc1ccc(C(/C=C/c2ccc(F)cc2)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 33154765 IKZXOSWMKYTPPV-DWSXAKPXSA-N 434.427 5.734 30 40 IKEB O=C(/C=C/N1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC(F)F)cc1 33796080 FZZBIPFGOQZEFL-CMDGGOBGSA-N 441.305 5.109 30 40 IKEB COC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 59500699 DLDADIWARZRMSC-VULFUBBASA-N 449.915 6.311 30 40 IKEB CCN1CC[C@](O)(/C=C\c2ccc(Cl)cc2)[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 78067316 PYGIJQFAQRQZHN-DLZCBCSVSA-N 430.375 5.362 30 40 IKEB O=C(Nc1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1 100814345 HNVMERIRLUAKLX-UHFFFAOYSA-N 432.242 5.138 30 40 IKEB Cc1ccc(/C=N/n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N/C2CCCCC2)s1 103459542 POXLGGBJROQUOE-OSWVXBLQSA-N 426.567 5.610 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 198151080 PDADIDIRCKOZIC-RDRPBHBLSA-N 426.560 7.178 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 224477202 OEYBMLKWDUVQKH-UHFFFAOYSA-N 448.588 5.241 30 40 IKEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 408561156 YEHNMMCRJKNJKO-UHFFFAOYSA-N 445.589 5.109 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1 408673214 QHHFJIYKSUOFQO-UHFFFAOYSA-N 438.568 6.497 30 40 IKEB O=C(Oc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1)c1ccccc1 408737407 PERFIMMHFWMFRG-MWAVMZGNSA-N 443.506 6.509 30 40 IKEB COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1C(C)C 408851707 FHQCFYGRRSUFGU-BLEOTABNSA-N 442.584 6.936 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)ccc1Br 408909610 HLUGMEUCCGRBHJ-UUYOSTAYSA-N 427.302 5.519 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408912986 OWRWSVMKUVGGRH-BRWGRUQKSA-N 438.593 6.193 30 40 IKEB C#CCn1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 408964369 GLKCAAWVCCUBJM-WOJGMQOQSA-N 426.328 5.473 30 40 IKEB Clc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4s3)c2)cc1Cl 409074260 SREAWXVQWPQCSY-WYMPLXKRSA-N 428.344 6.628 30 40 IKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1cccc2ccccc12 409120037 SRNSRVRRWQHIDL-UHFFFAOYSA-N 437.583 7.385 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409201318 LLWADMWTTUVJES-BRJLIKDPSA-N 445.302 6.548 30 40 IKEB C#CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br 409213917 WFSSNPALIMKGOX-UFFVCSGVSA-N 441.550 5.936 30 40 IKEB O=C(Oc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 2304437 BTTZHCJIYPQQBD-UHFFFAOYSA-N 438.266 5.501 30 40 IKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(C)c(I)c3)ccc21 2937928 JXIHQBARDLAAOR-ZVHZXABRSA-N 438.312 6.478 30 40 IKEB CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)CC#N)cc2)c(C(C)(C)CC)c1 3154747 IRTNSZMWECNFTP-UHFFFAOYSA-N 434.580 6.176 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 3353607 IIPUGRXWMHIORJ-KRWDZBQOSA-N 444.556 5.058 30 40 IKEB CC(=O)Nc1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 3354320 ZSVMHNFARXZNEH-AFUMVMLFSA-N 431.586 6.613 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)cc1 4105624 FXWQUBPOHIDIGV-NPGCFZLRSA-N 447.560 6.313 30 40 IKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1 9272499 IRYULHGESAUXQR-OAQYLSRUSA-N 448.316 5.540 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 9311485 LSXATXKKAPZBLS-JUMVDPBBSA-N 444.512 5.198 30 40 IKEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9433801 FBYPDFQFWBGNMS-LJQANCHMSA-N 428.271 5.365 30 40 IKEB COc1ccc2c(-c3ccccc3)cc(SCC(=O)[C@@H](C#N)c3nc(C)cs3)nc2c1 9465039 NYKLDOIUVRAZKW-HXUWFJFHSA-N 445.569 5.644 30 40 IKEB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccccc1 9526161 TZQHIAKUWMGMEL-GOSISDBHSA-N 440.528 5.254 30 40 IKEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)CCCOc1ccc(Cl)cc1Cl 13591284 IARRSMQUTGESDU-MOSHPQCFSA-N 448.346 5.070 30 40 IKEB CC(=O)Nc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 16321159 UMSUWVHWDSNGJH-LQKURTRISA-N 428.919 6.781 30 40 IKEB C=CCSc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 16322408 WEOYDFUXPBNYNA-NSHDSACASA-N 439.389 6.287 30 40 IKEB O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccccc3)c1)c1cc3c(cc1N2)OCO3 18196827 METSHPXHVXMWDW-SANMLTNESA-N 425.484 5.559 30 40 IKEB CCN(CC)c1ccc(/C=C2/CN(C)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 33403330 CSZGWTIIEDCAOM-GJEUYDLNSA-N 431.624 5.361 30 40 IKEB CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1 44859015 BGSVWTIYZFRPOW-XMMPIXPASA-N 426.520 5.028 30 40 IKEB O=[N+]([O-])c1ccc(-c2sc(N/N=C/c3ccccc3Cl)nc2-c2ccccc2)cc1 59484252 RGLVGIZOZHILBT-ZVHZXABRSA-N 434.908 6.485 30 40 IKEB Oc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F 95697034 FKXSLNBWBKMORF-UHFFFAOYSA-N 434.098 6.486 30 40 IKEB COc1ccc(/N=C2/C(=O)N(Cc3c(Cl)cccc3Cl)c3ccc(C)cc32)cc1 100346770 GFMRIRCQPBRVQF-XTCLZLMSSA-N 425.315 5.978 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 408531078 NYSKICKSBJFNQE-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(C(=O)OC)c3C)c3ccccc32)c1 408542335 KUVKWRRGHFLQNZ-RWPZCVJISA-N 440.499 5.322 30 40 IKEB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C#N)cc3)C2=O)cc1OC 408754487 QYDNGHUYKQHSPM-DEDYPNTBSA-N 442.902 5.700 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409212331 OXZGGVJGDXYCNM-MZJWZYIUSA-N 437.923 6.383 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 504472487 RSYAEGYTIQGKTB-MJLYYTBKSA-N 428.701 8.248 30 40 IKEB CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 1413011 MJCMKTPAJJWGSN-DWXRJYCRSA-N 428.601 7.025 30 40 IKEB C=C(C)Cc1c(OCC(=O)OC(C)C)ccc2c1c1ccnc3c4ccccc4c(=O)n2c13 8792452 NWMJOOSLVXYANT-UHFFFAOYSA-N 440.499 5.041 30 40 IKEB biogenic O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1cccc(Br)c1 8821164 LKZYZVLWFKALNO-AUWJEWJLSA-N 428.138 5.648 30 40 IKEB C[C@@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1)N1CCCCC1 9125599 DRMHMHGWBDFNDR-KRWDZBQOSA-N 438.000 5.632 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c(OC)c1 13567880 JWFFSTHYICHSPV-MRXNPFEDSA-N 445.437 5.250 30 40 IKEB COc1ccccc1CN/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 20763517 BXPGPRKBHTWFKG-JFLMPSFJSA-N 448.364 5.584 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1OC 33348751 YCRSQGDLUVZWJE-UNOMPAQXSA-N 430.913 5.019 30 40 IKEB N#Cc1cccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)c1 71327656 JGEDBMFYYWWTOP-UHFFFAOYSA-N 437.977 5.518 30 40 IKEB Cc1cc(Cl)ccc1NC(=O)C[C@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650567 YKQPQEGEUVQORP-RSTPCFTMSA-N 429.973 5.362 30 40 IKEB FC(F)(F)c1ccc(N2CCOCC2)c(/N=C/c2c3ccccc3cc3ccccc23)c1 102939097 PHVFCCJVZAZPHX-OCSSWDANSA-N 434.461 6.599 30 40 IKEB CCOc1cc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O 408723680 ZTJGVECCYFGBOV-CVKSISIWSA-N 434.948 6.985 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)c1C 408966195 KJHWVTHOYTVMSX-HAHDFKILSA-N 431.561 5.557 30 40 IKEB Clc1ccc(Cc2[nH]c3ccccc3c2/C=N/Nc2nc3ccccc3[nH]2)c(Cl)c1 408974640 FUIUNXSLLIRCDI-LGJNPRDNSA-N 434.330 6.388 30 40 IKEB CCOC(=O)c1c(/N=C\c2cc([N+](=O)[O-])ccc2N2CCCC2)sc2c1CCCC2 409063127 HLOMSCOJYPMXJN-UCQKPKSFSA-N 427.526 5.063 30 40 IKEB Cc1cc(C)c(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)c(C)c1 409065280 HHFDVQYBZGAIGA-KKMKTNMSSA-N 444.457 6.392 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 409211216 LFHRWPNWEKZAKU-JVWAILMASA-N 430.345 7.240 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C 409361741 PSLXSFXFHSFZCE-UHFFFAOYSA-N 438.622 5.245 30 40 IKEB CCn1c2ccccc2c2cc(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)ccc21 2680280 ZPHXRJLTOBUVGY-MZJWZYIUSA-N 426.545 5.347 30 40 IKEB Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cl)cc(Br)c3O)ccc2o1 3113240 RWRHIBWDHVAQRP-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB Cc1cc(C)c(/N=C(\NCc2ccc3c(c2)OCO3)Nc2c(C)cc(C)cc2C)c(C)c1 3179242 LHXGDLBUTSMWLZ-UHFFFAOYSA-N 429.564 6.155 30 40 IKEB CCCCCCCCCCCCCCOc1cccc(NCn2nnc3ccccc32)c1 8399366 YPVSVADLZGJCSJ-UHFFFAOYSA-N 436.644 7.581 30 40 IKEB Fc1ccc(COc2ccc(Cl)cc2/C=N/NCc2c(Cl)cccc2Cl)cc1 9196847 RVVFYBJDARVKPG-KBKYJPHKSA-N 437.729 6.489 30 40 IKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 11614472 KOCPPQOGKJFGLW-YTDNHQLISA-N 426.428 6.072 30 40 IKEB O=C1[C@H](Cc2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 13139794 NUZCHUGEGNDZAV-HNWIBAKRSA-N 437.362 5.828 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 14008762 AVOKFHIXUBSAEN-HMAPJEAMSA-N 428.538 5.543 30 40 IKEB N#Cc1c(CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)cn2ccccc12 14728625 ROQAQRBQLTUONG-UHFFFAOYSA-N 443.482 5.629 30 40 IKEB CCCCCCCCCCCCCCCCOC(=O)C[n+]1csc(CCO)c1C 49853556 OYLNXRGSRYSWSN-UHFFFAOYSA-N 426.687 5.903 30 40 IKEB CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 100959460 XPYRXDOZXUDDDY-UHFFFAOYSA-N 429.626 6.580 30 40 IKEB Cc1cc(Cl)ccc1/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C 101651066 POZGPPLNQNWARJ-OVJLLXBISA-N 436.364 5.200 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3sc4c(c3C#N)CCCC4)cc2)cc1 409063291 KBZHYJPZJQNRNE-DICXZTSXSA-N 429.545 5.575 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 409076912 COXBTQBVCWOCRW-QNGOZBTKSA-N 442.902 5.195 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccn3)c2C)S/C1=N/c1ccc(OC)cc1 409236052 RJKNAODNBDULRY-MDJVAVCCSA-N 446.576 5.430 30 40 IKEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1OC 1080691 SQLADVRSVCXJAH-XMMPIXPASA-N 425.488 5.225 30 40 IKEB CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1434759 XTQWHRDCJCPYIW-LYZGTLIUSA-N 438.527 5.900 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(COCC(F)(F)C(F)F)cc3)c2C#N)C1 2727887 ZWBAPQVGRLOZAO-GFCCVEGCSA-N 440.462 5.414 30 40 IKEB FC(F)(F)c1cccc(/N=C2\N=C(S)N(c3cccc(Cl)c3)C23CCCCC3)c1 3090111 CUDHBYNTUPOPEX-UHFFFAOYSA-N 437.918 6.898 30 40 IKEB Fc1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c(Cl)c1 3113953 RMAGZCWMAUODMV-BHGWPJFGSA-N 429.676 6.800 30 40 IKEB O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Br)cc1 8809360 JEWPSEJNRQZJKS-VGOFMYFVSA-N 441.708 6.218 30 40 IKEB N#Cc1c(OCC(=O)c2ccc(Br)cc2)nc2c(c1-c1ccccc1)CCCC2 9086539 FDAYTGFJCMZTCP-UHFFFAOYSA-N 447.332 5.523 30 40 IKEB O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 9124690 GIOTYPOMJYHBOR-MZNJEOGPSA-N 426.907 5.500 30 40 IKEB COc1ccc([C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCCCC2)cc1 9596735 TXIYISFXXMHVHN-HHHXNRCGSA-N 439.559 5.191 30 40 IKEB Cc1ccc(/N=C2\Sc3nc4cc5c(cc4cc3CN2C[C@H]2CCCO2)OCO5)cc1 13511140 GSAYFZRGXUXTRX-KRXRYSOXSA-N 433.533 5.046 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(OC)cc1OC)C2=O 20648040 OWNLSVNACKUEPW-IWIPYMOSSA-N 439.552 5.428 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl 33377357 IZMGLWCEYKMBCG-VULFUBBASA-N 449.963 6.497 30 40 IKEB COc1ccc(-c2nc(NCCC(c3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 40129974 FLGNWVLBBOPLJO-UHFFFAOYSA-N 436.515 5.364 30 40 IKEB CCCCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC 59362839 CUNXDNPBEVBTDH-UHFFFAOYSA-N 438.849 10.465 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(/N=N/c4ccccc4)ccc3O)S2)c1 59426786 QVOHRVXRGWUJJC-ACYHEVRDSA-N 428.517 6.316 30 40 IKEB CCCCCCCOc1ccc(/C=C2/SC(=S)N(/N=C/c3ccccc3)C2=O)cc1 97959806 COIIFHAEXFDIGO-FSRQGDLASA-N 438.618 6.271 30 40 IKEB CCCCCCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1 100858387 CKOIOZPSWBGYQT-JJKYIXSRSA-N 449.635 7.682 30 40 IKEB Cc1ccc2c(c1)S/C(=C1/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C1=O)S2 118916142 YMDSWPZYGHRYGY-QGFLGDHBSA-N 438.702 8.016 30 40 IKEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226344708 SNWSCWNJGFDEAI-UHFFFAOYSA-N 426.097 5.642 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)C[C@@H](C)O4)C(=O)N2c2ccc(C)cc2)cc1 408710931 YGHUGCSGXVFDBO-VVDKBALFSA-N 440.568 6.435 30 40 IKEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C(=O)N1CC 408930580 YZTALXRVMJHPNK-SGFRRPFJSA-N 448.947 5.379 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)SC1=Nc1ccccc1 408960785 IYDIHHOPRUFXKU-NGZUUMTHSA-N 432.501 5.577 30 40 IKEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCc2ccccc2C#N)=N1 408992165 SDZLNEXKLFTQHQ-XMMPIXPASA-N 438.556 5.405 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccco3)c2C(=O)Nc2ccc(Cl)cc2)C1 409083562 SWKBRAFWMVGMQR-NXYZXBHKSA-N 440.996 7.148 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(C)c1 409109732 KBHJCPVYWWEPIZ-UHFFFAOYSA-N 425.164 6.005 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409204895 LQKUZPYNASRRQY-AFUMVMLFSA-N 428.757 6.995 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 409210300 JWODGUVEJXPFID-AFUMVMLFSA-N 428.757 6.995 30 40 IKEB O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)Sc2ccccc21 409314924 UKGIODJJAWUIJU-UDWIEESQSA-N 425.918 6.729 30 40 IKEB COc1cc(Cl)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1OC(C)C 409405115 SSTXNEYPKDALCN-UHFFFAOYSA-N 447.922 5.395 30 40 IKEB CCOc1ccc(-c2ccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 1531385413 IMRGTUJYCJZGMQ-MTDXEUNCSA-N 435.483 5.604 30 40 IKEB O=C(COc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1)c1ccc(-c2ccccc2)cc1 3082679 PHVBJRQBJMMWPH-MTDXEUNCSA-N 436.467 6.274 30 40 IKEB CN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 6136015 NQVOCPLHSSXKQA-FTJNEJEMSA-N 444.516 5.469 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccccc1C 9427258 GATRLGOAOSOWQI-QFIPXVFZSA-N 446.576 5.205 30 40 IKEB C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 10233175 SWZZLHQBPWRKOK-NRFANRHFSA-N 444.512 5.181 30 40 IKEB S=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1 12345187 WWMAYSUULSODGW-ZMOGYAJESA-N 430.360 5.893 30 40 IKEB CCc1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3)nc2c1 12353219 RDJZNYJIZABNIN-FSJBWODESA-N 432.392 5.330 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 12689188 HBKUQAPSXBYYDG-MRXNPFEDSA-N 431.300 5.233 30 40 IKEB CCOC(=O)[C@H](Cc1ccc(F)cc1)C(=O)C/C=N/OCc1ccc(Cl)cc1Cl 12859061 MDFJEMXDADDZCP-ZTWLKVPMSA-N 440.298 5.016 30 40 IKEB COc1cccc([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c1OC 13567938 QJAVAHWLFPIXFY-QGZVFWFLSA-N 425.912 5.193 30 40 IKEB Cc1ccc(/N=C2\C(=O)N(CN3CC[C@H](c4ccccc4)C3)c3ccccc32)cc1Cl 14943707 YJUSQGMRFGOKHB-QSPIDWHTSA-N 429.951 5.563 30 40 IKEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)s1 18200818 DWXRYRSWBFAUSL-QRQCRPRQSA-N 443.528 5.087 30 40 IKEB COc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)cc1 32984187 AMINBBOGQZRHGI-UHFFFAOYSA-N 433.529 5.468 30 40 IKEB CCOc1ccc(Br)cc1/C=N/c1ccc(I)cc1 100221315 GYMZAQRPQZNKRE-VCHYOVAHSA-N 430.083 5.203 30 40 IKEB O=C(c1ccccc1)N1C(=O)N(c2ccccc2)C(=N/c2ccccc2)/C1=N\c1ccccc1 102985743 HXWMFCLWDJULMR-XDHTVYJESA-N 444.494 6.229 30 40 IKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)N1CC 408779399 WDRNESVEYUYLAO-JLZFKDTQSA-N 432.387 5.169 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)c2c1 408783402 ORXCLHMPMBSZMQ-IWIPYMOSSA-N 446.572 6.146 30 40 IKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S1 408849395 WLSPKAIUTWLCOR-UNOMPAQXSA-N 428.344 5.984 30 40 IKEB CCCCCOc1c(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cccc1OC 408906481 BWALFQAVRZUUKW-OTPOTBIMSA-N 438.593 6.278 30 40 IKEB Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccccc1C#N 408931156 HTITUMBRTRLIJG-NDZAJKAJSA-N 434.543 5.457 30 40 IKEB C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC 409067643 QHDWYGZOUNHLEY-UHFFFAOYSA-N 433.548 5.032 30 40 IKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)S1 409102572 YRCJPAIGFAJKCX-UNOMPAQXSA-N 437.908 5.029 30 40 IKEB Cc1ccc(C)c(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc23)c1 409208885 ARIYONAGODQUPL-JVWAILMASA-N 449.959 6.628 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OCC 409344551 GZKJKHCXJIDYPD-AQTBWJFISA-N 438.014 5.837 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(F)c1 409376670 CKKQUAQCIXXHQZ-DICXZTSXSA-N 436.483 5.101 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1 2069356 JOVBHZCZJRRXEQ-QHCPKHFHSA-N 441.568 5.041 30 40 IKEB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 2209706 FOPDCUVSFHWKBE-UOODYVSWSA-N 435.936 5.505 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@@H]2c1ccc(Br)cc1 4199855 IMDVVBCBLQUCTH-HXUWFJFHSA-N 449.352 5.366 30 40 IKEB CCCOc1ccc(C(=O)/C(=C/c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1 8437040 BCKXJZBWRSMESK-XLNRJJMWSA-N 443.499 6.057 30 40 IKEB Cc1ccccc1-c1nc(SCc2ccc(Cl)cc2Cl)c(C#N)c2c1CCC2 8781831 BMTBKIQTHNZKRB-UHFFFAOYSA-N 425.384 7.017 30 40 IKEB O=C1N/C(=N/c2ccc(SC(F)F)cc2)S[C@@H]1Cc1ccc(Br)cc1 9090536 YGKPWCFLXKZJIP-CQSZACIVSA-N 443.338 5.226 30 40 IKEB C=CCn1c(Sc2nc(-c3cccnc3)nc3ccccc23)nnc1C1CCCCC1 9377139 QAPBMFCIOZBBPZ-UHFFFAOYSA-N 428.565 5.668 30 40 IKEB C(=N/c1nc2ccccc2n1CCN1CCCCC1)\c1ccc(OCc2ccccc2)cc1 10058912 YSXFLTVKFMFXNH-XHLNEMQHSA-N 438.575 5.852 30 40 IKEB N#Cc1c(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CCCC2 11689810 AYHVSRVGESXTID-UHFFFAOYSA-N 433.920 6.212 30 40 IKEB O=C1[C@@H](Cc2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 13139795 NUZCHUGEGNDZAV-ZGKFLROHSA-N 437.362 5.828 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 15231477 DWEPIGOXVJDYFM-VCHYOVAHSA-N 442.855 5.329 30 40 IKEB CCOc1ccc(/N=C2\SC[C@@H](C)N2C(=O)CCCOc2ccc(OCC)cc2)cc1 16044526 OHRGRPRIIFNRBB-XDQFEMHDSA-N 442.581 5.295 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17100484 SSJIPWRKLLMHBW-BZQUYTCOSA-N 436.540 5.995 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 17159994 GGXZFQFEPIKPTM-MMTVBGGISA-N 440.518 6.136 30 40 IKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cccn3-c3ccc(Cl)cc3)cc2)cc1 59249927 DMCHITPIJDGIOS-PCLIKHOPSA-N 433.920 6.941 30 40 IKEB O=c1c2c3c(sc2nc(N/N=C\c2ccc(Cl)cc2)n1C1CCCCC1)CCCC3 96509941 NNIKZWXCCWWWAT-QFEZKATASA-N 441.000 5.941 30 40 IKEB CCOc1ccc(/N=C2\S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 103687003 KNLCQTIEBLYWRY-KKOPTWAASA-N 445.588 6.503 30 40 IKEB CCN(CC)C1=C[C@@H]2C(=Nc3ccc(NN=C4C=CC(=O)C=C4)cc3N2c2ccccc2)C=C1 136697751 VXEGFKCJGRMCJD-MUUNZHRXSA-N 449.558 5.538 30 40 IKEB C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 253500937 BHUDKWOFZIXCDR-BXLOSEROSA-N 426.597 5.101 30 40 IKEB COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccc(C)cc1 408726399 RJRGYZMFUPJQKR-OGLMXYFKSA-N 441.531 5.131 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)OC)c4C)o3)S2)cc1 408765368 VQAVAUZMNWSSMY-HMAPJEAMSA-N 446.528 5.496 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O 408807354 BWYUCKHXZWEHHX-BIFPGVLTSA-N 440.996 6.675 30 40 IKEB CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(OCC)c1 408961101 ACTYXEASGKQWDL-LICLKQGHSA-N 437.348 5.682 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OC(=O)c4ccccc4C)cc3)n2)cc1 409024435 LECRFAMGPLDOEE-CVKSISIWSA-N 427.529 6.092 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409199283 BFXQVNZOXAQACJ-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409209742 IFIZCGOAAABJAR-VULFUBBASA-N 443.330 6.160 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1ccc2ccccc2c1 409292716 UVQQXJCVZVNAFI-UHFFFAOYSA-N 446.554 6.270 30 40 IKEB Cc1cc(N2CCCC2)c(C)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409295108 CMGIPKGVBKNIGS-UHFFFAOYSA-N 428.580 5.543 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(C(C)C)c1C 1531333609 ZMOJEBLOLYBLMX-HZZGJGATSA-N 443.389 5.554 30 40 IKEB O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1149637 FQTBATMWPPXGOH-QVNLTAIFSA-N 433.507 5.247 30 40 IKEB CC(C)Cc1c(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)c1C#N 2064194 GDSOBLGFLOHVMT-UHFFFAOYSA-N 445.975 6.319 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 2328679 FKJHNUKHZBYAHH-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(/N=C/c2ccc(C)cc2)c2nc3ccccc3nc12 2368816 JYGFHRSPNHBRBT-STBIYBPSSA-N 442.567 5.058 30 40 IKEB CCCCc1ccc(NC(=S)C2=C(NCCc3ccccc3)CC(C)(C)CC2=O)cc1 2368885 KDJNWARNECYWNB-UHFFFAOYSA-N 434.649 6.244 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(C)cc1 2740694 PKAPHACYLSPAAN-DVECYGJZSA-N 435.951 5.573 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c1 3079746 HLUHYHGXGIRLAA-BRJLIKDPSA-N 443.286 6.488 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3OCC)s2)c1C 3309143 SEXKFYNUVZKMOG-UHFFFAOYSA-N 428.583 5.260 30 40 IKEB Fc1cccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)c1 8782143 RHRDSKFSTDBEMA-LGJNPRDNSA-N 439.943 6.285 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 9237373 FELDPBAPVBFUGX-JOCHJYFZSA-N 440.524 5.696 30 40 IKEB CC(C)n1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 9246898 FMGPWQSDNWLWLE-LQKURTRISA-N 447.648 6.976 30 40 IKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 9260195 CGVKPHSIUMXUIM-CVKSISIWSA-N 437.927 5.033 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 9272348 BFBQHFCODFMFJQ-HXUWFJFHSA-N 442.298 5.673 30 40 IKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 9486802 XCANVDHZGAROIG-UKWGHVSLSA-N 443.293 5.277 30 40 IKEB CCc1ccc2nc(SCC(=O)Nc3ccc(C)cc3Br)c(C#N)cc2c1 13503475 DZGVWZOZPAGCLI-UHFFFAOYSA-N 440.366 5.471 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c(OC)c1 13567890 QVZOWCJZXCSKDJ-GOSISDBHSA-N 445.437 5.250 30 40 IKEB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2 17180852 OWJNNMGFSZEVIL-KWOQKUFVSA-N 444.039 5.826 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 18152873 HQVCHZQXDGNTRX-HSZRJFAPSA-N 445.519 5.146 30 40 IKEB C=CCNc1nc(SCC(C)=O)nc2nnc(-c3ccccc3)c(-c3ccccc3)c12 19897630 WPQKRQAYJYMVDC-UHFFFAOYSA-N 427.533 5.033 30 40 IKEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 20189701 TVDAOTFJPDGLEZ-XMMPIXPASA-N 434.580 5.120 30 40 IKEB CCOc1ccc(C(=O)C2=C(SCC)S[C@@H](c3ccc(Cl)cc3)CC2=O)cc1 26896900 XUOCAUYMKJWQGK-LJQANCHMSA-N 432.994 6.333 30 40 IKEB Clc1ccccc1/C=N\Nc1nnc(N/N=C/c2ccccc2Cl)c2ccccc12 31669979 LPOIDRKFQZSROR-KGRJIBJCSA-N 435.318 5.829 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc(OC)cc2)cc1 59464318 QBADWENEYOOEDR-CVKSISIWSA-N 434.948 6.898 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 71973586 LQBTZXLGHXAZEI-FRSCJGFNSA-N 442.621 5.601 30 40 IKEB CCCCCCCCc1ccc(CCC(CO)(CO)NC(=O)OCc2ccccc2)cc1 72399471 WHZSMGMWROULJR-UHFFFAOYSA-N 441.612 5.172 30 40 IKEB in-vitro COCC/N=c1/scc(-c2cc3ccccc3o2)n1/N=C/c1ccc(Cl)cc1Cl 103372107 FZJNNONSGZSAFY-GQJYBYJWSA-N 446.359 5.699 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3C)c2-c2ccccc2)cc1 408730396 FZACOIKBHDKYMJ-WEMUVCOSSA-N 426.563 8.179 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 408825934 SCQDCKJTQBVOJF-QRVIBDJDSA-N 443.959 6.235 30 40 IKEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)C1=O 408916487 DFNUTUJSCIHZMU-XDHOZWIPSA-N 442.334 5.006 30 40 IKEB N#CCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1Br 409000320 VJSCJULFELQKEY-UHFFFAOYSA-N 444.354 5.388 30 40 IKEB O=C1Nc2ccc(Cl)cc2C1=Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 409113995 PEALRPJJGJOAFS-UHFFFAOYSA-N 435.936 5.606 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 409199991 GGYIZNJWSSSECE-JFLMPSFJSA-N 427.903 6.606 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 409210347 JRFCAAAYEQWWCJ-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(Nc4ccccc4)cc3)c3ccccc32)o1 409390244 DSPAQMKUNFZWMB-STBIYBPSSA-N 449.510 6.563 30 40 IKEB CCc1c(C)sc(NC(NC(=O)Cc2ccccc2)(C(F)(F)F)C(F)(F)F)c1C#N 2361002 HKFYQTHDNVPTHZ-UHFFFAOYSA-N 449.420 5.082 30 40 IKEB O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 2932671 GPOYDCYYMULJQP-JWLCOBFGSA-N 428.513 5.088 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1C1CCCCC1 3332856 CPLXFAUEBUPZET-UHFFFAOYSA-N 432.593 5.910 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)c1c[nH]c2c(CC)cccc12 3381882 RANKGGVDHMQTLD-UHFFFAOYSA-N 446.576 5.370 30 40 IKEB COc1ccc(/N=C(/N2CCCCC2)[P@@](=O)(N2CCCCC2)N(C(C)C)C(C)C)cc1 8399050 CVZBIJNKNBIRMM-QFOSEXNQSA-N 448.592 5.966 30 40 IKEB N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCC(=O)OCc1ccccc1 8809575 KWCNYNOJFMCELE-UHFFFAOYSA-N 448.594 6.246 30 40 IKEB N#CCCn1cc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c2ccccc21 9349355 PBLDJAUKUCQIBG-UHFFFAOYSA-N 440.450 5.492 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/S/C(=N/c3ccc(C)cc3C)NC2=O)o1 12447027 IVOXHDWCMVAVOS-CIAFOILYSA-N 449.488 5.372 30 40 IKEB O=C(/N=C(/N=C(\Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1)c1ccccc1 17123582 BXUYSMARAAENFO-UHFFFAOYSA-N 437.930 6.486 30 40 IKEB C(=N\N(CCCCN(/N=C/c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1 31669969 LAFVXUWSZCDPIQ-IEPGDLOPSA-N 446.598 6.848 30 40 IKEB O=C(/C=C/c1ccc(COc2ccccc2Br)o1)C12CC3CC(CC(C3)C1)C2 36611158 KCOGYQPRQBOSCW-BQYQJAHWSA-N 441.365 6.420 30 40 IKEB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 40049307 YFHUGTGNTPUARE-DLBZAZTESA-N 444.560 5.034 30 40 IKEB COC(=O)c1ccccc1NC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 95455159 NOCCVRZBADLXHL-AWEZNQCLSA-N 446.315 5.149 30 40 IKEB FC(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)F 100424588 RAGOGQITHBODEI-UHFFFAOYSA-N 446.125 5.345 30 40 IKEB FC(F)Oc1ccc(/C=N/c2c(-c3ccc(OC(F)F)cc3)nc3n2CCS3)cc1 100574692 LHTCYTITHFDZQG-OPEKNORGSA-N 437.418 5.609 30 40 IKEB Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/c2cccc(Cl)c2Cl)N(C)C1=O 101649784 OFIBFYWBHLADLQ-OZZWHHLJSA-N 436.364 5.200 30 40 IKEB C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253534229 XTCFYHGQQPCUJI-VSKNXIRHSA-N 444.744 7.386 30 40 IKEB biogenic,in-vitro CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3C#N)S2)cc1 408776569 VZWKDFXKHCAXML-RISWYLRJSA-N 441.556 5.299 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N/Cc3ccccc3)c2C)ccc1I 408777081 VIBBXFUJQMRAAT-OEAKJJBVSA-N 428.317 5.626 30 40 IKEB CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)S/C1=N\c1ccc(OC)cc1 409011913 PCOFTLMCHIFCFL-JWMLTMDESA-N 448.544 5.490 30 40 IKEB N#Cc1ccccc1COc1ccccc1C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 409160270 FNDQTIGHHOSKRC-JOCHJYFZSA-N 448.931 5.602 30 40 IKEB N#Cc1ccc(Oc2ccc(NC(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)cn2)cc1 610321567 XRDUHWIFNOEFGL-UHFFFAOYSA-N 444.882 5.288 30 40 IKEB CCc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 726682 ZTFTZLTWCFXRRA-RUZDIDTESA-N 429.560 5.596 30 40 IKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O 2127921 REVLGCJWUCABLD-JXZJKOHESA-N 436.463 5.629 30 40 IKEB biogenic COc1ccc(-c2ccc(/C=C3/S/C(=N/c4ccc(C)cc4C)NC3=O)o2)c([N+](=O)[O-])c1 8780998 SFHBNSRSDZRFBW-CIAFOILYSA-N 449.488 5.372 30 40 IKEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1cc(C)cc(C)c1 13940678 GAXHCTVFFYMXAL-YZSQISJMSA-N 449.507 5.514 30 40 IKEB N#Cc1c(N)nc(SCC(=O)c2ccc3ccccc3c2)c(C#N)c1-c1cccc(F)c1 19880124 GJQNOWAGFFCBHU-UHFFFAOYSA-N 438.487 5.341 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)cc1 19880904 HMALZEIAJQUTSL-VULFUBBASA-N 437.609 6.565 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1cccc(C)c1 59193582 MPCNWHFPTJAEJZ-UHFFFAOYSA-N 444.527 5.711 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc(C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463741 PDQBTTYOJLPGPL-MFKUBSTISA-N 429.501 6.453 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC(O)=C(O)C1=O 100028647 NRHBEGWPKVFGRH-AUSIDOKSSA-N 442.593 5.405 30 40 IKEB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc2c(c1)OCCO2 100117644 VHXBRGQYPOBSKD-YBNBZSSTSA-N 438.527 5.414 30 40 IKEB CC/N=C1/S/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1CC 101633029 BXLOKLOYZVQNIJ-VFHZPEHISA-N 439.584 6.155 30 40 IKEB CCCCCCCCCCCCCCCCCCOC(=O)Nc1cc(Cl)ccc1C 104340748 DRTGLLYHGRZQJR-UHFFFAOYSA-N 438.096 9.458 30 40 IKEB C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224564682 IIXNZTWEMDJIES-UHFFFAOYSA-N 442.537 5.157 30 40 IKEB Oc1ccc(/N=N/c2cccc(C(F)(F)F)c2)cc1/C=N/Nc1nc2ccccc2s1 408728334 ZWOMNEFDWOUKRR-NEBKWEKESA-N 441.438 6.882 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 408779110 RIRVRQFQKXAXHY-DSTPSKMHSA-N 449.579 6.903 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c1C 408987816 YSAOKZKTJVYPPB-STZFKDTASA-N 436.621 6.496 30 40 IKEB Cc1cccc2c(/C=N\Nc3c(F)c(F)c(F)c(F)c3F)c(C)n(Cc3ccccc3)c12 409029541 AQYGHCXYVMKULP-OHUIHDMLSA-N 443.419 6.448 30 40 IKEB CCCn1c(C)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c21 409050796 ZUZMISJTYTYVDS-JNNAGZRYSA-N 445.382 6.689 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(CC)C1=O 409061082 UVPXXNAZKHJXOM-HPJGCCTDSA-N 430.913 5.061 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409212991 NTLNYBWIZXUJIC-DHRITJCHSA-N 429.303 5.770 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC 409341374 BHJIDDAFFPXJAO-WOJGMQOQSA-N 431.966 5.492 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(Oc4ccccc4)cc3)c2C#N)C1 2663216 FNGZKECVTJAOCU-MRXNPFEDSA-N 446.528 5.332 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1 3184425 ODAHBFJGJHGHKM-LSHDLFTRSA-N 439.225 5.017 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 9296685 WFPCETNNZLDDSG-VCHYOVAHSA-N 436.316 5.808 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)ccc1O 13756596 FHTNFJOZLIWKDA-BRJLIKDPSA-N 439.302 5.764 30 40 IKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccc4oc(-c5cccc(Cl)c5)nc4c3)o2)c1 14920105 SRANIBQXIKPPKV-VULFUBBASA-N 443.846 7.067 30 40 IKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)ccc4O)c3C)nc2c1 16268801 WNLSUXPCQJNUOG-FDAWAROLSA-N 446.550 7.467 30 40 IKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59678301 ICSPNSJSMPMEFJ-LQKURTRISA-N 438.483 5.908 30 40 IKEB CCCCCCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n12 96021497 ZROIAVRXDOTFFR-UHFFFAOYSA-N 438.619 7.339 30 40 IKEB CCCCCCCc1ccc(/C=C/c2nc(-c3ccc(Br)cc3)no2)cc1 97965395 WOTGGVUJGZIZEF-SFQUDFHCSA-N 425.370 7.182 30 40 IKEB CCCCCCCCC/C=C\C[C@H](CC(=O)Nc1ccc(Br)cc1)C(=O)O 100166484 MQNHEGLHWZYQRP-RXQFDZFGSA-N 438.406 6.566 30 40 IKEB CCOC(=O)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1 102932678 SYWPYLBQSPAALZ-NRFANRHFSA-N 427.500 5.641 30 40 IKEB CCN1c2cc(C)c(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2C(C)=CC1(C)C 260567572 LVRLIFIPWLMQQV-YOIRLTMBSA-N 431.605 6.251 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OCc2cccc(F)c2)c1 408532879 WMZRJXIGMLYQHE-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 408744101 WRHNDHBSQVVWRO-WPWMEQJKSA-N 432.520 5.588 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 408858738 OYQHCLJXGGFOEW-YDKHKBCISA-N 432.633 7.167 30 40 IKEB COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)C(=O)N2C)cc1 409020260 NFYYZNZWLAPFCQ-RFWMZAAKSA-N 437.952 5.682 30 40 IKEB COc1cccc(/C=N\c2ccc(Cl)cc2Cl)c1OCc1ccc(C(=O)O)cc1 409188268 YBDUBEBCEIMDGQ-ROTLSHHCSA-N 430.287 6.030 30 40 IKEB C#CCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OCC 409199948 FXSXZKCUWWDCPZ-HYARGMPZSA-N 433.289 5.015 30 40 IKEB COc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(OC)c1OC(C)C 409283479 QQJVYOKLXMGIIM-UHFFFAOYSA-N 449.551 5.131 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)c(Cl)c1 409303884 IHRUAKPWBOGJMT-UHFFFAOYSA-N 448.748 5.044 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409379969 DIAMHYCTYUKAHD-RPPGKUMJSA-N 431.294 6.209 30 40 IKEB C[C@@H]1CCc2c(sc(/N=C/c3cc(Br)c(Br)s3)c2C#N)C1 714834 QLMADRXMNAORFG-PSDBGZISSA-N 444.217 6.082 30 40 IKEB O=C(CCC(=O)N=C(c1ccccc1)c1ccccc1)N=C(c1ccccc1)c1ccccc1 1679133 PMFYGLOTTGYYKX-UHFFFAOYSA-N 444.534 5.895 30 40 IKEB CCCCn1c(NC(=O)c2ccccc2OC)c(C#N)c(-c2ccccc2)c1-c1ccccc1 8781756 VEPPOBBDAPWJBZ-UHFFFAOYSA-N 449.554 6.755 30 40 IKEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 8980970 MPXDNGCESKKRIU-NXLSWJSLSA-N 448.607 5.056 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2noc(-c3ccccc3)c2c1 10272150 PSANPMQSSJDTER-SDNWHVSQSA-N 425.871 7.304 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 16195077 CECVDZCKHKDGTD-ZSICUCBDSA-N 447.472 5.118 30 40 IKEB O=S1(=O)CS/C(=N\C(=S)N(c2ccccc2)c2ccccc2)N1c1ccccc1 17108299 WHFLLSDSNHZKAX-DQRAZIAOSA-N 439.587 5.006 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(O)c1[C@@H]2c1ccccc1 17242390 APLKEYLPLCHNJF-HXUWFJFHSA-N 443.572 5.675 30 40 IKEB CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3ccccc3)N3CCOCC3)o2)CC1 27750349 OKJUKSHRPFHBCQ-LLAFXHEGSA-N 436.600 5.496 30 40 IKEB C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1cc2ccccc2o1 57291704 CCLRUUFWCZAGEI-UHFFFAOYSA-N 442.544 5.827 30 40 IKEB Cc1cc(C)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(=O)O)cc2)cc1C 58356353 VBSXITQEIJLLPV-OAQYLSRUSA-N 447.512 5.154 30 40 IKEB CCCCCCCCc1ccc(/N=N/c2ccc(OC(=O)CCCCCCC)cc2)cc1 68568998 VEZWOLSTHKBNCY-QVIHXGFCSA-N 436.640 9.271 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 97953008 NJVSFPJCRVXKEE-UHFFFAOYSA-N 430.552 5.900 30 40 IKEB C=CCn1/c(=N/C(=O)c2cc(Cl)cc(Cl)c2)sc2cc(Br)ccc21 100874307 FGEDYHRXKLVGER-FXBPSFAMSA-N 442.165 5.699 30 40 IKEB CCCCCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 101005033 WORGVSKHHGIMMC-LTGZKZEYSA-N 436.592 7.418 30 40 IKEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 102705128 ILMUDAQOQIFPLP-ZHHPLPSFSA-N 442.515 5.014 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 408864606 XHPVTLQLVTWJSR-XSQQKSBCSA-N 426.969 6.228 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(N(C)C)cc3)N(C)C2=O)cc1Cl 409012669 RFAGBHGZJMZEDD-BCULVLPOSA-N 444.000 5.817 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O 409050019 ZMPOQDNCVGDUOF-LICLKQGHSA-N 436.291 5.381 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409210029 KKOYTOLDYZLHLS-UVHMKAGCSA-N 444.409 6.782 30 40 IKEB CCOc1ccc(/N=C/c2cc(I)c(OCC)c(OCC)c2)cc1 409215333 ZDZNCYPRHNSTHP-FYJGNVAPSA-N 439.293 5.238 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2occc2C)cc1C(C)C 409282462 GZLNGXXQRFBGFU-UHFFFAOYSA-N 429.520 5.678 30 40 IKEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@@H](c2ccccc2Cl)CC(=O)O3)C1=O 1081801474 BRBHDKFDQXTHIG-KKJJZKEWSA-N 432.859 5.406 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc(OCc2ccc(F)cc2)c1 1531383583 MQVFDHYJUOSKPO-UXHLAJHPSA-N 449.485 5.664 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc(-c3ccccc3)cc2c1=O 710366 DBWIIJGALRPJTK-UHFFFAOYSA-N 447.585 5.350 30 40 IKEB CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 2079029 WYDDLYAVIBBEBW-UHFFFAOYSA-N 440.971 6.067 30 40 IKEB CCCCOc1cc(Br)c(C=C2C(=O)c3ccccc3C2=O)cc1OCC 2086518 KEJBJWZFBIMLKM-UHFFFAOYSA-N 429.310 5.489 30 40 IKEB CC(=O)n1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 2235164 KJHDDKZAVMYEEE-UHFFFAOYSA-N 431.532 5.702 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2624279 JCISEBAPAZWYLC-UHFFFAOYSA-N 448.592 5.362 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 4027529 UOCUEIOMIAYZNI-CQYYKXISSA-N 428.613 5.468 30 40 IKEB biogenic Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 6177752 QAVGOCZZKVGYNY-JHMRYYBSSA-N 437.531 5.094 30 40 IKEB CCOC(=O)CN1C(=S)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1 8399321 FVUYCJKZSKFUJQ-AORWUECESA-N 442.544 5.117 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OC(=O)c4cccc(C)c4)cc3)n2)cc1 8454089 KFEZUKLYFFFVLZ-CVKSISIWSA-N 427.529 6.092 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 8818140 BDFYXGMBRLNPGT-NRFANRHFSA-N 444.512 5.597 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4OC)ccc3C1=O)cn2C 9422003 XVVWITMAFLNCAT-RPPGKUMJSA-N 441.483 5.391 30 40 IKEB CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cc(Cl)cc32)=C(O)C1 9975019 ORJOZNAROYTULK-SFHVURJKSA-N 435.347 6.314 30 40 IKEB O=[S@](c1ccc(Cl)cc1)c1ccc(/C=N/OCc2ccc(Cl)cc2Cl)cn1 12958191 SDWYPPGZQZCWFS-YNRVIZAUSA-N 439.751 5.759 30 40 IKEB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 13552421 OFIKLJVQMWKART-HMAPJEAMSA-N 440.572 5.712 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1ccc(Cl)cc1 16268103 MZNURKXQNRSERB-IBGZPJMESA-N 444.749 7.255 30 40 IKEB N#Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2 17096333 YGXPJGOIBUJOOY-RMKNXTFCSA-N 429.328 6.327 30 40 IKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)cc1Cl 27061691 DKMODKNHXDWNDZ-HXUWFJFHSA-N 439.920 5.501 30 40 IKEB CCCCCCCCCCCCCCSC(=S)N(CCC(=O)O)CCC(=O)O 100923906 AHRSWAORAHBZFP-UHFFFAOYSA-N 433.680 5.957 30 40 IKEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Br)cc1 101284418 HYFINDSUFXJXER-IBGZPJMESA-N 447.377 5.233 30 40 IKEB CCCCCCCCCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(C)cc1 102078986 AYVPSHFJZDNOFB-DEOSSOPVSA-N 449.595 5.818 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2)cc1 102495652 NWZPFVLGNMYBSF-MRJHHRETSA-N 426.497 5.231 30 40 IKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 102948781 KDFILFKHIZHORG-DEOSSOPVSA-N 427.548 5.698 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1O 104364967 WNACIALNKLPCHY-NFFVHWSESA-N 447.733 7.452 30 40 IKEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCc1cccc(F)c1 107735066 FTPXLSCKJZDFHU-OKYLLYMWSA-N 440.521 5.288 30 40 IKEB C=CCn1c(C)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc21 111507896 JHSXFXKTUHZSSJ-HMAPJEAMSA-N 445.544 5.119 30 40 IKEB CCCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408528518 FGXMURLHIBNTPW-PDGQHHTCSA-N 431.355 5.438 30 40 IKEB O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1 408625602 YSZRPNXFCVYISW-XYOKQWHBSA-N 427.725 6.578 30 40 IKEB Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)c(C)n1C1CCCCC1 408791796 CPQOIMHHGASAFP-YCBMQGOFSA-N 437.565 5.542 30 40 IKEB CCOc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c1 408906093 HJAVUPNZCICTAV-PEBOIGEYSA-N 428.557 6.451 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 408959757 FHWPYQHCDSHSAW-SIDNSYPESA-N 425.557 6.095 30 40 IKEB O=C1CCCC2=C1C(c1ccc(OCc3ccccc3)c(C(=O)O)c1)C1=C(CCCC1=O)O2 409058050 QVHYGQRCPVDQBC-UHFFFAOYSA-N 444.483 5.092 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(I)cc3)c2C#N)C1 409082756 NAKHXYUPXBWFLN-XMTZNVEYSA-N 448.373 6.126 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 409119802 SYVPZGBAUSREFI-UDWIEESQSA-N 439.409 5.008 30 40 IKEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)C1=O 409130065 VWIJLZRSNJRELD-WOJGMQOQSA-N 447.318 5.050 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccn1-c1ccccc1F 409306899 RDBCQKJOBYHOEV-UHFFFAOYSA-N 448.457 5.622 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC)c(Cl)c1 1531342830 OOOYBZWHQIXVSY-FSJBWODESA-N 448.748 5.046 30 40 IKEB C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(F)cc3)c2c1=O 1096617 MNBXINIBNOMQQR-UHFFFAOYSA-N 429.567 5.507 30 40 IKEB CCOC(=O)CCSc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)cc2)c1C#N 8441082 FMRRZXRRQDQSFC-UHFFFAOYSA-N 432.545 5.650 30 40 IKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccc(Cl)cc1Cl 8856935 HEDJFJCLBXRURC-QHCPKHFHSA-N 437.370 7.051 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 9088963 HSNBXIRHSVPVTM-HSZRJFAPSA-N 446.934 5.497 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 13654959 BOVQZTNXAHKNPK-MTJSOVHGSA-N 444.867 5.171 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 15011697 CTWRELATGGZUTG-XSFVSMFZSA-N 434.904 5.451 30 40 IKEB Cc1cc(C)nc(N2Cc3ccccc3/C2=N\C(=O)c2cccc(Oc3ccccc3)c2)n1 15978140 QKYUVXJCJGRLBN-QCWLDUFUSA-N 434.499 5.493 30 40 IKEB Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 21722224 DORAZSQIUSYLDV-RUZDIDTESA-N 441.531 6.437 30 40 IKEB Clc1ccc(-c2csc(N/N=C\c3cccc(Br)c3)n2)c(Cl)c1 31854535 VQRATKFZUBQMEW-ZBKNUEDVSA-N 427.154 6.325 30 40 IKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)c1 33027027 XKYMMEMDVANRIZ-UHFFFAOYSA-N 433.895 6.268 30 40 IKEB O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\C2CCCCC2)N1C1CCCCC1 35419382 WICUPHOWZZISEL-SIDNSYPESA-N 433.621 6.415 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(Br)cc1 35647586 GKLNXGRRLXTWKU-MDWZMJQESA-N 428.138 5.648 30 40 IKEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 36611436 TYYOVFDOHCBDFF-LSHDLFTRSA-N 449.319 5.621 30 40 IKEB CC[C@@H](C)c1ccccc1/N=C/c1c(O)c(OC)cc(Br)c1Br 38179986 GCQVOHZIKFHUPM-OHBSIKEHSA-N 441.163 6.190 30 40 IKEB CC(C)=NNc1nc2c(N3CCN(C(=O)c4cccc(C)c4)CC3)c(Cl)ccc2s1 72230157 ZJOMCCXPQIRXSO-UHFFFAOYSA-N 441.988 5.028 30 40 IKEB CCCCCCCCCCCCCCCC(=O)OC/C=C/COC(=O)c1ccccc1 104192849 WZXLLNLUJHYOJE-VHEBQXMUSA-N 430.629 7.424 30 40 IKEB COC(=O)[C@@H](CP(C)(C)=O)C(/N=C(/C)C(F)(F)F)(c1ccccc1)c1ccccc1 104230425 AXKGADSQHBNSTG-NLULDLIBSA-N 439.414 5.365 30 40 IKEB C=CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Cl)c(Cl)c1 108248581 JCLXXHOATNPGHA-UHFFFAOYSA-N 436.364 5.651 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)S2)c1 408783150 LKEXRRJQLPUBLO-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408860430 VLWOGLIFUUPFJF-KUIRWZENSA-N 448.632 6.904 30 40 IKEB N#Cc1ccc(-c2ccc(/C=N/c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 409022770 SHJBVRPRTMJMKW-WGOQTCKBSA-N 425.469 6.628 30 40 IKEB O=C(O)c1cccc(Cn2cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c3ccccc32)c1 409097002 LELWTQBEJAKUHO-IPBVOBEMSA-N 438.409 5.248 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C 409121786 WLNCILLROROKBJ-UHFFFAOYSA-N 425.164 6.005 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(OCC)c1OCC 409138540 DKQRNCVLZGEZBT-RCCKNPSSSA-N 429.582 5.829 30 40 IKEB CCOc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409209970 KCRLMOJKRXFFBO-VULFUBBASA-N 430.382 6.555 30 40 IKEB CCn1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc21 409307929 WTVVOOPWEXNTDH-UHFFFAOYSA-N 432.483 5.667 30 40 IKEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccn2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1427288 SQHYDVPMWNWVHI-GKVSMKOHSA-N 441.556 5.143 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@](C)(CC)OC3 2305115 RJTBMKBGGHPUKJ-QHCPKHFHSA-N 426.607 5.665 30 40 IKEB CC1=C/C(=N\Nc2ccccc2)[C@@H](C(O)(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 5065305 PCAIZXFSAQUOMS-WOLHVBPDSA-N 427.269 5.841 30 40 IKEB CCN1/C(=C/C(=O)COC(=O)c2ccc(Cl)cc2)C(C)(C)c2c1ccc1ccccc21 6147157 YQXZMDREXDFLTM-HZHRSRAPSA-N 433.935 5.921 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(F)cc2F)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 6446067 CAYPLBWXIOMWFB-SDHSZQHLSA-N 437.449 5.249 30 40 IKEB O=C1C/C(=N\N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21 8385422 PGUFQQJWSLCLJN-JQSWZAHZSA-N 429.932 5.751 30 40 IKEB N#Cc1c(Nc2cccc(C(F)(F)F)c2)sc(C(=O)C23CC4CC(CC(C4)C2)C3)c1N 8451010 QSDFWDHGLCXXAQ-UHFFFAOYSA-N 445.510 6.363 30 40 IKEB CCOc1ccccc1/N=C(/NCc1ccc(OC)c(OC)c1)SCc1ccccc1 9539937 APFQFOJLCHVPHU-UHFFFAOYSA-N 436.577 5.813 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)NCCCn2cnc3ccccc32)cc1 9726068 AKAWGNVVQOCYLQ-UHFFFAOYSA-N 426.545 5.020 30 40 IKEB C=CCn1c(-c2ccccc2Cl)nn(C2c3ccccc3Oc3ccccc32)c1=S 12363682 BSGYEPGONQURTC-UHFFFAOYSA-N 431.948 6.664 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N(c2ccccc2)c2ccccc2)cc1 12570515 GYIKXGVMLDFKAH-MWAVMZGNSA-N 444.538 6.720 30 40 IKEB Fc1ccccc1-c1nnc(S)n1/N=C/c1sc(Nc2ccccc2)nc1Cl 24842482 SIHXJUKPPSXTQK-UFFVCSGVSA-N 430.921 5.109 30 40 IKEB COc1ccc(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 28182526 SSXRZBWBNNBAIX-QFEZKATASA-N 425.484 5.691 30 40 IKEB N#C[C@@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc2ccccc2o1 40156543 NQTJRQQFTORRLY-INIZCTEOSA-N 437.249 5.252 30 40 IKEB COc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 59463727 NZGARXPZMFCRAY-AFUMVMLFSA-N 449.919 6.798 30 40 IKEB Brc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 59471645 JURCQCLMERDIMU-UBYIUWKDSA-N 429.361 7.026 30 40 IKEB Cc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 102541282 KHRNUCZVOCCLJL-MRJHHRETSA-N 426.497 5.231 30 40 IKEB CCOc1ccc(Oc2c(/C=N/c3ccc(F)c(Cl)c3)c(C)nn2-c2ccccc2)cc1 102927687 IUZACRLLUALYHH-LQKURTRISA-N 449.913 6.915 30 40 IKEB CCCCCCCCCCCCCCCCCC[n+]1cccc(C(=O)c2ccccc2)c1 104105189 DRQKOAPIJCDHCF-UHFFFAOYSA-N 436.704 8.467 30 40 IKEB COc1cc(C)c(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)cc1OC 408549112 PHGKCBNHTDJZQN-MWUCKACSSA-N 445.544 5.211 30 40 IKEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2Br)cc1 408566212 FGXSFASMVXHMCO-LPYMAVHISA-N 426.270 5.382 30 40 IKEB CC/N=C1/S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1CC 408929968 QESJZGCKAUUBQF-VBJFXANNSA-N 437.996 5.964 30 40 IKEB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)SC1=S 409005682 JNFWGPUDEALRED-MFOYZWKCSA-N 449.384 5.665 30 40 IKEB Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccc(F)cc1 409034939 IOLVQJQPVJXNRP-VYVUJPJFSA-N 449.345 5.851 30 40 IKEB CCCN1C(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(OCC)cc1 409161215 KZOPOCHMTUZICV-ATGHGOICSA-N 432.973 5.332 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)c2C)cc1 409186918 JNWUJVUJNZMTTD-IWIPYMOSSA-N 445.588 6.001 30 40 IKEB Cc1[nH]c2ccccc2c1C=Nn1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 409301676 DBGRQPINSIPUNZ-UHFFFAOYSA-N 437.341 5.128 30 40 IKEB Cc1ccccc1-n1cccc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409307682 UKUHUENFWOCBQW-UHFFFAOYSA-N 449.352 5.264 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C(/c2ccc3ccccc3c2)c2ccccc2F)c([N+](=O)[O-])c1 4974372 QCCOHKTWKGLEBJ-RWEWTDSWSA-N 430.395 5.660 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1OCC 9907461 JLJBDKOIWVARKS-MOSHPQCFSA-N 440.952 5.259 30 40 IKEB COc1ccc(OCCOc2cc(C)cc(C)c2)c(/C=N/Nc2nc3ccccc3s2)c1 12465415 JJJVQTBILMJABN-WGOQTCKBSA-N 447.560 5.826 30 40 IKEB COc1cccc(C[C@@H]2Nc3cc4cc(C)ccc4nc3S/C2=N\c2cccc(C)c2)c1 13568292 RUVCZBYRZIMFIQ-SVUDALLQSA-N 439.584 6.719 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1C(C)C 14133276 AUIHTSQTGGHZQE-UHFFFAOYSA-N 436.581 5.206 30 40 IKEB CC[C@@H](C)n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc21 15906031 HOIJNJMZFIVZDO-LLVKDONJSA-N 438.285 5.035 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2-c2ccccc2S1(=O)=O 33271929 PBBVZUIFQCKNIH-UHFFFAOYSA-N 442.899 5.093 30 40 IKEB Cc1cccc(C(=O)O/N=C(\N)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1 33958172 GLICBHIXWAJBGR-UHFFFAOYSA-N 449.816 5.332 30 40 IKEB CC(C)(C)c1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCCC2)cc1 35672485 KJYSNBRBXWHGOF-QHCPKHFHSA-N 429.568 5.545 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@H]2c1cccs1 44973611 RSXMWSWDELGHFV-IBGZPJMESA-N 448.617 5.613 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@H](CCC)C(=O)O)C2=O)cc1 101247706 UUJHKKOKSMAUKB-WDULPBOOSA-N 449.638 5.880 30 40 IKEB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/N=C/c3ccc([N+](=O)[O-])s3)CC[C@H]12 253498506 BKFIBDWKIPCPQA-YKLNZBLLSA-N 441.597 5.755 30 40 IKEB CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 263605347 PPUSJZGJZQKJEP-CFZFAVAQSA-N 434.576 5.354 30 40 IKEB Cc1ccc(COc2c(Cl)cc(/C=N/OCc3ccccc3C#N)cc2Cl)cc1 408591883 KYIFUNSYFSHIGK-UVHMKAGCSA-N 425.315 6.303 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1ccc(C)cc1 408912788 RZQHDCHRNUIQHV-ROTLSHHCSA-N 440.887 5.375 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 409076239 AEJPTPHLILHKJS-QNGOZBTKSA-N 444.918 5.748 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409203777 YSBRXEYGFSKPMC-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB O=C(O)c1cc(N/N=C\c2cn(CCOc3ccccc3)c3ccccc23)ccc1Cl 409210420 IMWYBUBDPBYSSC-YSMPRRRNSA-N 433.895 5.518 30 40 IKEB O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)Cc2ccccc21 409373446 SZVYJGHKSGUWRN-WOJGMQOQSA-N 439.736 6.504 30 40 IKEB C=CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CCC)cc1 2113894 VNQNZAZPMBQKNI-QHCPKHFHSA-N 448.548 5.050 30 40 IKEB O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccccc3)c2ncn1CCC1=CCCCC1 2449042 KJFWCRIYVVBGFW-STBIYBPSSA-N 448.530 5.067 30 40 IKEB CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 9805293 ZWOYZOAVXBSZMW-IPBJYNAHSA-N 444.578 7.425 30 40 IKEB CCn1c2ccccc2c2cc(/C=C(/C(=O)c3ccccc3)c3nc4ccccc4[nH]3)ccc21 12559563 MVRBBBXASCMHMB-CLCOLTQESA-N 441.534 7.114 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1OC 13568524 SZVJJKBBXRRTCE-QLXKLKPCSA-N 430.504 5.585 30 40 IKEB COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2ccc3ncccc3c21 14945039 HTODOGDMKHAXPQ-GDJIYFAZSA-N 432.523 6.202 30 40 IKEB C=CCOc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC 15620115 JDQMKGJZZKKWAG-PKNBQFBNSA-N 434.561 5.289 30 40 IKEB O=C1C[C@H](S/C(=N\c2ccccc2)Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1 17970045 CBLHHUBFBGJLOQ-FQEVSTJZSA-N 435.936 5.505 30 40 IKEB COc1ccc([C@@]2(N3CCOCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 19720500 CVQOIDCXJPQFCP-LJAQVGFWSA-N 437.539 5.098 30 40 IKEB O=C1CCCC2=C1C(c1cn(-c3ccccc3)nc1-c1ccccc1)C1=C(CCCC1=O)N2 28466001 IVBFKDMQXCFCJL-UHFFFAOYSA-N 435.527 5.240 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\[C@@H](C)c1ccccc1 28615380 HVWLYJFUIWKEQN-KLOPBMKOSA-N 437.634 6.280 30 40 IKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccco2)cc1 30823020 GSQCDUNITFNFSV-VWLOTQADSA-N 426.516 6.045 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O 33925804 FMMOZPPXADXNAA-USMIYEOCSA-N 448.361 5.222 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 59427375 AKQTXXPNLKVCEZ-MIXAMLLLSA-N 439.559 6.429 30 40 IKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59679391 ZPGJHIXQRMTQEW-LQKURTRISA-N 434.967 7.244 30 40 IKEB CCOc1cc2c(cc1/C=C1/S/C(=N/c3ccccc3)N(Cc3ccco3)C1=O)OCO2 101639758 ROUYAPDUUUROKS-HPVIMXLTSA-N 448.500 5.211 30 40 IKEB CCCCCCCCCCC(=O)N([C@H]1C[C@H](C)CC(C)(C)C1)[C@@H]1C[C@H](C)CC(C)(C)C1 104359677 DQHFFAOTHZXUGF-ASDGIDEWSA-N 433.765 8.775 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/C=C\c1ccccc1 104376696 HYPWGBILDBPVEG-XXUCCNOKSA-N 429.718 7.631 30 40 IKEB C(=Nc1ccccc1)C1=C(N(c2ccccc2)c2ccccc2)/C(=C/Nc2ccccc2)CC1 254347882 GXBQJYINGLJJDR-PNFRHNPUSA-N 441.578 8.271 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C[C@H]4C)S2)cc1 260572508 WMEJDQNFQSKVDD-BEXDPUPVSA-N 447.648 6.561 30 40 IKEB COc1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)o2)c([N+](=O)[O-])c1 408883583 RLCNCVGUFMHKGS-NDENLUEZSA-N 435.461 5.063 30 40 IKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC 408944006 TWXSEAHYFCZLPF-BRGLFVENSA-N 436.555 6.837 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(C2CCCCC2)c1 408969276 KLWVGMVPCDDQRF-JFLMPSFJSA-N 444.431 8.001 30 40 IKEB O=C(O)c1ccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1Cl 409040222 SPLSPQQQDCBYLI-UMDHDWCXSA-N 432.679 5.012 30 40 IKEB COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1O 729454 GNKHAOYTTTZSRO-JBEBIEQOSA-N 448.544 5.450 30 40 IKEB N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 2443727 OTVAGLKLTIJFNW-UHFFFAOYSA-N 437.355 6.405 30 40 IKEB CCCC[C@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@@]1(C)CC[C@@H]2C1(C)C 8384843 WEAZETIELYIGMB-FNVCAUGXSA-N 430.386 5.636 30 40 IKEB N#Cc1c(/C=C/c2ccc(O)cc2)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2 8781856 DAJTXOFHHKTGHJ-YRNVUSSQSA-N 444.446 5.436 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccc(Cl)cc4)ccc3C1=O)cn2C 8991182 FFLARXNIEYFXAT-OPEKNORGSA-N 445.902 6.036 30 40 IKEB COc1ccc2ccccc2c1[C@@H]1NC(SCc2ccccc2C#N)=NC(C)=C1C(C)=O 9781512 FTVVYLCMCNFUBV-RUZDIDTESA-N 441.556 5.517 30 40 IKEB Oc1c(I)cc2oc3c(c2c1/C=N/C1CCCCCC1)CCCC3 12491349 GRBFZNXJOWEFAS-WSDLNYQXSA-N 437.321 5.764 30 40 IKEB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 13000240 IBLLKPFHCXXIBT-DTQAZKPQSA-N 428.513 5.538 30 40 IKEB Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)cc1Cl 13549164 YLOPWSSBKVEWDE-BHGWPJFGSA-N 425.897 6.379 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c(OC)c1 13567955 CRGIRJKXMSNYRC-INIZCTEOSA-N 429.875 5.024 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1C 14081889 PGZHQRFBFSOMNX-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 14117849 MBXWXZKXCBJKCT-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(Cl)c1 15945262 ZJZNRZDTSJKFGU-QUOYTPRUSA-N 429.998 6.114 30 40 IKEB CCOc1ccc(/N=c2\scc(-c3ccco3)n2/N=C/c2c[nH]c3ccccc23)cc1 16035600 TTWVTSCXWFHAMN-UCRJKCCMSA-N 428.517 5.804 30 40 IKEB COc1ccc(-c2sc(/N=C/c3ccc(N(C)CCC#N)cc3)c(C#N)c2C)cc1OC 17025235 UZBOQGXUHIEDSC-LQKURTRISA-N 444.560 5.713 30 40 IKEB C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2cc(Cl)ccc2Cl)c1=O 28538320 BUUKVYKRPQSWBN-UHFFFAOYSA-N 449.363 5.176 30 40 IKEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 32908836 QKBNZFTXLSETMI-UHFFFAOYSA-N 430.596 5.453 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1cc(Br)c(O)c(Br)c1 38182130 UIRSISZAXISCND-UBKPWBPPSA-N 449.924 5.136 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)c(Cl)c1 102311730 NZUWERNBMZBVHC-ZMOGYAJESA-N 432.823 6.167 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl 102401892 OGZLREXKACVGNC-NXLSWJSLSA-N 445.946 6.398 30 40 IKEB CCCCCCCCOc1ccc(/C=C(\C(C)=O)C(=O)Nc2cc(Cl)ccc2C)cc1 102965346 DLMGCQGOUGKKMW-JJIBRWJFSA-N 441.999 6.999 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cnn(C)c5C)C(=O)[C@]4(C)CC[C@H]32)C1 253536152 JMQZWPIAQPSGBR-XFVKKWBXSA-N 436.596 5.185 30 40 IKEB COc1ccc(C=Nc2ccc(CCc3ccc(N=Cc4ccc(OC)cc4)cc3)cc2)cc1 299888322 FOSOJOKQJFZOKV-UHFFFAOYSA-N 448.566 6.990 30 40 IKEB Cc1cc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)cc(C)c1Br 408757014 YYIURSZXNSZWEQ-NVNXTCNLSA-N 437.746 5.317 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 408951264 IMIBQMOXCFTXLB-FYJGNVAPSA-N 438.936 6.199 30 40 IKEB Cc1ccc(C(=O)Oc2ccccc2C=Nn2c(-c3ccco3)nc3ccccc3c2=O)cc1 409134733 XKTDUZNOCUAMLH-UHFFFAOYSA-N 449.466 5.066 30 40 IKEB CC[C@H](C)Oc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409403449 LZADNALUYMXDJB-FQEVSTJZSA-N 447.538 6.276 30 40 IKEB O=C1C(Cl)=C(Nc2ccc(Cl)cc2)C(=O)C(Cl)=C1Nc1ccc(Cl)cc1 1575714 FLNHWDJABIAAFK-UHFFFAOYSA-N 428.102 5.570 30 40 IKEB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCCC2 1782372 RFLFFEMZOSMKBH-JXMROGBWSA-N 431.355 5.312 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 2272785 WDDNOCIFYYEXFM-UHFFFAOYSA-N 426.651 6.779 30 40 IKEB COc1cc(OC)cc(C(=O)N2/C(=N/c3cccc(C(F)(F)F)c3)SCC2(C)C)c1 3298985 BBXPFSFIQCULAM-PLRJNAJWSA-N 438.471 5.378 30 40 IKEB NC1=C(c2nc3ccccc3s2)C(=O)[C@H](c2ccccc2)N1CCc1ccc(Cl)cc1 3319732 BFEJYERATGLZED-QFIPXVFZSA-N 445.975 5.446 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1 3843632 NVFBLCBUSIGTCH-DCFUYEGPSA-N 444.637 5.681 30 40 IKEB CCN(CC)c1ccc(/C=C2\CCC(/C=N/N=C/c3ccccc3)=C2N2CCOCC2)cc1 6146800 TXIZNGFYAHEFAQ-NXLRNRSWSA-N 442.607 5.401 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 8952260 IUKZGBAPYWOIJS-SXGWCWSVSA-N 438.307 5.676 30 40 IKEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C 9307203 PZRUPKRDKWWPEI-UHFFFAOYSA-N 436.581 5.071 30 40 IKEB CCCC/N=C(/C=C1\SN(CCC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 9554192 WIORRTOUMOHFKB-UJFUEMKZSA-N 444.069 6.936 30 40 IKEB O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCc2ccc(F)cc2)C1=O)Nc1ccccc1 9850542 XJSYGBNEDOIGCF-XOFWUJAUSA-N 447.535 5.029 30 40 IKEB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 13029894 HBOYJQFJUUYZRX-UHFFFAOYSA-N 427.533 5.056 30 40 IKEB CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc23)C1=O 13597214 SGZYKMMJIROBTI-WWFKBGPPSA-N 437.568 6.237 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1 18106877 WDWAQXJHXSWBCK-XHCCPWGMSA-N 426.516 5.683 30 40 IKEB C(#Cc1cccc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)c1)c1ccccc1 18194171 PHTBGZJRFVQPKD-UHFFFAOYSA-N 447.541 7.359 30 40 IKEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SC2CCCCC2)cc1 32828833 FJKVPUGGJCDBFY-NRFANRHFSA-N 437.590 5.402 30 40 IKEB N#Cc1ccc(Oc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1C#N 35140540 YEXFADVFIQTDHT-UHFFFAOYSA-N 430.463 6.169 30 40 IKEB Cn1c(-c2ccccc2)cc2c(N/C(=C/C(=O)c3ccccc3)c3ccccc3)cccc21 35325061 PPRCXVMOILONQV-SZXQPVLSSA-N 428.535 7.181 30 40 IKEB CCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 97999362 APAMUKPQYHNZEK-NRFANRHFSA-N 433.596 6.316 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/c1ccccc1C 105003895 ADNVSXDVQBDWNQ-SZTNPAGBSA-N 448.375 5.448 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)cc1 408931352 KLIUJTVJRUJHQX-OGLMXYFKSA-N 446.547 5.897 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)nc1 409104937 LJYLSIJMCGHVJF-XAZZYMPDSA-N 444.460 6.703 30 40 IKEB Cc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N2C)cc1C 409155967 SEZZTSNDSCIAGS-ZOSJBBHMSA-N 447.516 6.014 30 40 IKEB C#CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br 409181250 AFXNPKPTPCVJDH-UHFFFAOYSA-N 429.539 5.489 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 409213061 SBHRUAYMYHYDMI-VUTHCHCSSA-N 425.528 6.967 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3c[nH]c4ccc(Br)cc34)c2C#N)C1 409214540 VUQUYZRGESFYEA-IETDBYTCSA-N 440.410 6.765 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 409346091 NDPYXCGVGZLCGK-KGENOOAVSA-N 436.533 5.050 30 40 IKEB Cc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c1C 870711 KLORSBVJOOQQTO-UHFFFAOYSA-N 444.343 6.048 30 40 IKEB Cc1ccc(S(=O)(=O)OC2CCCC(c3ccccc3)(c3ccccc3)CCC2)cc1 1707532 JINGMUPIJPGFQC-UHFFFAOYSA-N 434.601 6.409 30 40 IKEB N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccc(O)cc1)CCCC2 2027087 ZDIVVSJUGNPQDO-UHFFFAOYSA-N 434.948 5.833 30 40 IKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)c(OC)c(OC)c2)C3=O)cc1 2157041 FPWWIQHWTKLTRM-FMCGGJTJSA-N 444.483 5.551 30 40 IKEB biogenic COc1ccc(/C=N/Nc2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)cc1 6924756 UZICDXJWYUGLHH-NUGSKGIGSA-N 446.315 5.678 30 40 IKEB CCCCCCCCCCCc1nc(C2CCC(C3CCC(CCC)CC3)CC2)no1 8386761 RIXQJSGEDVFAPF-UHFFFAOYSA-N 430.721 9.023 30 40 IKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccc(O)cc1 9264959 OKAFQPQYKNPOSU-GZTJUZNOSA-N 430.316 5.381 30 40 IKEB N#C[C@H](Cc1ccccc1)Sc1nnc(COc2ccccc2F)n1-c1ccccc1 9353473 SWDPUKFADHXPSR-FQEVSTJZSA-N 430.508 5.212 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 9359088 NFUIYLGWKYQGAO-IRLDBZIGSA-N 439.939 5.221 30 40 IKEB C[C@@H](Sc1nc(Nc2ccccc2)c2ccccc2n1)C(=O)Nc1sccc1C#N 9468966 OPIKJLZJGMSRJN-CQSZACIVSA-N 431.546 5.426 30 40 IKEB N#Cc1c(NC(=O)c2cc(I)ccc2Cl)sc2c1CCCC2 9553628 VWLMXCNKSVPEOJ-UHFFFAOYSA-N 442.709 5.009 30 40 IKEB Cc1ccc(Sc2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)cc1 32828853 HYCGMZNNNSECJW-OAQYLSRUSA-N 449.532 5.267 30 40 IKEB O=C(/C=C/C=C/c1ccccc1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 72193905 IHJRFJPQJFYAPL-GMRPVLNISA-N 443.930 5.303 30 40 IKEB Cc1ccc(C)n1-c1ccc(C(=O)/C=C/Nc2ccc(I)cc2)cc1 100133878 UDKKWGSHBMNHJN-BUHFOSPRSA-N 442.300 5.507 30 40 IKEB CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)S/C1=N/c1cccc(C(=O)O)c1 100317552 LNYIDULUVMLUKA-LJLXHGTCSA-N 437.304 5.021 30 40 IKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 101063263 OSOWLGLZNFHGQW-QDMUBWQVSA-N 432.387 5.211 30 40 IKEB CC(C)n1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 101432892 FMGPWQSDNWLWLE-NTFVMDSBSA-N 447.648 6.976 30 40 IKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3Cl)c2C)c(C)c1 408932212 BOSHCNLSRIOYQJ-LGJNPRDNSA-N 438.911 5.380 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408938094 KJJBANPKBSNGBJ-SWDXYKBFSA-N 430.551 7.426 30 40 IKEB CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC 409201837 OEKWFAHKHCLHAB-XTFCHBONSA-N 438.637 7.099 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCC(=O)O 409207809 AKNXVQGRAAOTHA-ZVBGSRNCSA-N 426.694 5.024 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1 409210154 IIGTUKMPKRGEAN-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cccc(Cl)c2)o1 409280125 AQRJHDFTCRKMNF-UHFFFAOYSA-N 442.700 5.263 30 40 IKEB OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 642882537 JYSLPAPDCRZRET-UHFFFAOYSA-N 442.162 5.523 30 40 IKEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@H](c2ccccc2Cl)CC(=O)O3)C1=O 1081801475 BRBHDKFDQXTHIG-RHLNUJDMSA-N 432.859 5.406 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 797809 GHXRYOQNKCPDCB-OAQYLSRUSA-N 431.875 5.341 30 40 IKEB COc1ccc(Br)cc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 861341 ZKGXJKIIAPUVFS-NRFANRHFSA-N 427.342 5.680 30 40 IKEB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2087347 MLPPBXWEZNLMTN-INIZCTEOSA-N 445.028 6.530 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc(Cc3ccccc3)cc2)c2ccccc21 2205721 XKKXPGMMSLTORG-LJAQVGFWSA-N 431.560 7.144 30 40 IKEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 6446058 AKIZFOBIXPHFNG-DSITVLBTSA-N 435.914 5.624 30 40 IKEB Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H](NCc2cccc(C#N)c2)C1 8636130 YTSQXZBPYVVFHM-IFMALSPDSA-N 447.380 5.325 30 40 IKEB biogenic,in-vitro COc1cccc(-c2c(C#N)c(SCc3cccs3)nc3c2C[C@H](C(C)(C)C)CC3)c1 8781201 ZTOMHXIHDYCCPG-GOSISDBHSA-N 448.657 7.134 30 40 IKEB CSc1nnc(CCCNC(=O)c2ccccc2-c2ccccc2C#N)n1C1CCCC1 9454707 KUYYQYQYUUCLCX-UHFFFAOYSA-N 445.592 5.016 30 40 IKEB COc1ccc2ccccc2c1[C@H]1NC(SCc2ccccc2C#N)=NC(C)=C1C(C)=O 9781514 FTVVYLCMCNFUBV-VWLOTQADSA-N 441.556 5.517 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1C1CCCCC1 9983872 ZTELNEOZMWRTBY-UHFFFAOYSA-N 449.418 5.314 30 40 IKEB O=C1N/C(=N\N=C\c2ccc(-c3cccc(Cl)c3)o2)S[C@@H]1Cc1cccc(Cl)c1 11565467 GERDBPIXVJGFRW-QVHMZZSFSA-N 444.343 5.418 30 40 IKEB N#Cc1c(SCc2ccc(Cl)cc2Cl)noc1-c1ccc(Cl)c(Cl)c1 12624548 RECAURBRJZZSAP-UHFFFAOYSA-N 430.143 7.119 30 40 IKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1cc(Cl)c(O)c(Cl)c1 15227104 XKUXCMKWFVKEJA-WUXMJOGZSA-N 434.131 5.897 30 40 IKEB Cc1ccc([C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)c(C)c1 16034110 UFZFTJYRWWOMTM-ZONZVBGPSA-N 446.510 6.111 30 40 IKEB COc1ccc(-n2c(=S)ss/c2=N\C(=N/c2ccc(C)cc2)c2ccccc2)cc1 16291568 VZICHORWUKWPDI-NUJSLWOLSA-N 449.626 6.326 30 40 IKEB C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Br)cc1 19808008 XMTGIQFVSKNBND-IMRQLAEWSA-N 446.392 5.561 30 40 IKEB CC/N=C1/S/C(=C\c2c(OCc3ccccc3C#N)ccc3ccccc23)C(=O)N1CC 96793089 OUIYCYOKXUBCCD-IIZUOHISSA-N 441.556 5.603 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 100502866 SWCRZESAOKBJCZ-BHGWPJFGSA-N 441.256 5.861 30 40 IKEB C=CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Br)cc12 226360275 ZQDXTTQXYKBRCT-UHFFFAOYSA-N 428.282 5.024 30 40 IKEB COc1ccccc1N=C(c1ccc(N(C)C)cc1)N(Cc1ccccc1)Cc1ccccc1 254488291 DLYGLGJMKDZOBC-UHFFFAOYSA-N 449.598 6.542 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 408763625 OITCSWTZKRCZTH-HYARGMPZSA-N 446.532 5.456 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(Cl)c1O 408913343 QBMQCATWSRRKLV-RVFNTIOESA-N 430.957 5.765 30 40 IKEB C=CCOc1ccccc1/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O 409090656 MXDGXSKCZNMWHQ-AJGXWLHTSA-N 440.568 5.924 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 409212006 PMXGGSRWDJCGSP-ZVHZXABRSA-N 426.310 5.796 30 40 IKEB C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C 409360247 MMOBAOYZIFCHLO-UHFFFAOYSA-N 438.622 5.245 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C(F)(F)F)cc1 8846694 SWLSQKIALIIEJM-DWXRJYCRSA-N 448.488 6.993 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H]4CCCc5c4[nH]c4ccc(C)cc54)[C@H]3C[C@@H]12 8918158 LJQXLSPSQISBRZ-FAAWOLMISA-N 432.608 5.758 30 40 IKEB biogenic Oc1ccccc1/N=N/C(=N\Nc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 8926297 NWJILJNACPMLER-JBIZZRMRSA-N 446.514 6.348 30 40 IKEB O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccccc1 9374697 MYLZHQLBGNDDDQ-FQEVSTJZSA-N 441.380 5.627 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccc(F)cc2)cc1 9546504 JBTUOHMTNWAOJK-QYBDOPJKSA-N 439.490 5.600 30 40 IKEB N#C[C@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 13129735 YIPDHYJSTPCRMA-JOCHJYFZSA-N 442.515 5.795 30 40 IKEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(C)cc1 20033984 WRMSIYKMMAFMCP-RQZCQDPDSA-N 430.298 5.051 30 40 IKEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(Cl)cc1Cl 35647461 RWICWDKYSUSCFU-VGOFMYFVSA-N 428.138 5.648 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccccc2C)cc1 44859382 FIZDVYYNKNRNCE-XMMPIXPASA-N 440.547 5.410 30 40 IKEB Cn1c(=O)c(C(=O)/C=C/c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc21 69351888 TZAOISQLDLBPLV-NTCAYCPXSA-N 444.328 5.864 30 40 IKEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 102619025 ZEPFUZRFCKHNMF-MRJHHRETSA-N 437.854 5.114 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCC[C@@H]1C1CCCCC1 104254079 JIKPIFVOTIEWIG-FQLXRVMXSA-N 448.776 9.930 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)S/C1=N\c1ccccc1 208445127 MYYFTYMFARSJOJ-WOARFCOISA-N 447.604 5.569 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OCC)c1OCC 214600560 STVGQEGJFMCWQD-PXLXIMEGSA-N 437.561 5.757 30 40 IKEB N#Cc1ccccc1CO/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408597063 VJPYNINLKRHAQD-MUFRIFMGSA-N 426.903 6.495 30 40 IKEB N#Cc1ccccc1Cn1cc(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21 408821062 BXVGMCVYMSOJDL-AJBULDERSA-N 426.523 6.733 30 40 IKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1[N+](=O)[O-] 408910051 VVMRSGLAJUQZKZ-GLFPGZLVSA-N 443.528 6.268 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc12 409208092 AULDZZXPMYEPOT-MUFRIFMGSA-N 429.947 7.448 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409215540 AUHLVXYTMREXIU-VULFUBBASA-N 430.382 6.555 30 40 IKEB CCOc1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)cc1 409289455 GKNLVKKAJYPGLG-UHFFFAOYSA-N 443.890 5.744 30 40 IKEB Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409393039 USIXHLLZEFQFND-UHFFFAOYSA-N 446.333 6.767 30 40 IKEB Cc1nc(-c2ccccc2)ccc1C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 505300517 VTHMHDJVBPVKPI-SFHVURJKSA-N 440.528 5.136 30 40 IKEB CC(=O)OC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc([N+](=O)[O-])c2)c2ccccc21 1095766 CEOFTRWNOIJYRB-OAQYLSRUSA-N 442.471 5.112 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F 2762222 GQGIMMCFOKBJSU-IVZQSRNASA-N 425.525 5.202 30 40 IKEB N#Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)oc(-c2ccco2)c1-c1ccco1 3304797 IWEWOCCLCGTDNT-UHFFFAOYSA-N 448.434 6.548 30 40 IKEB C=CCn1c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)nnc1-c1cccc(C)c1 3378096 SSEMPWRFGMVOCA-UHFFFAOYSA-N 448.379 5.181 30 40 IKEB COc1cc(/C=N/N=C(/S)Nc2ccccc2)ccc1OCc1c(F)cccc1Cl 4136403 GSRBEGZEXITSBO-DHRITJCHSA-N 443.931 5.799 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)cc3)S2)cc1 8664871 VSWBBTXZCYJFAC-HMAPJEAMSA-N 444.512 5.164 30 40 IKEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 8916831 CQJJTUOODQCOMJ-MNNSJKJDSA-N 436.599 7.272 30 40 IKEB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2 9530892 PUNJQDNEQDEVMZ-QKKBWIMNSA-N 425.315 6.248 30 40 IKEB C=CCn1c(S[C@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 9669845 NFKAFHCXWRFVRF-FQEVSTJZSA-N 441.000 5.486 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 15134804 GOTTWKUBMRDALF-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB Cc1nn(-c2ccccc2)cc1/C=C1/CC(C)C/C(=C\c2cn(-c3ccccc3)nc2C)C1=O 21487132 PTKFOYVJYITOSK-JVBWRSBESA-N 448.570 6.141 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 59239494 FUGDAMBHSPPHKD-LJQANCHMSA-N 440.286 6.118 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 118916155 ANTLLZHQDMIOLB-WUKCAQQPSA-N 447.446 6.959 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccccc4C)NC3=O)cc21 223484685 AJIWZACRFYBBAM-UCQKPKSFSA-N 431.605 6.297 30 40 IKEB Cc1ccc([C@@H]2[C@H](Cc3ccccc3)N3C=Cc4ccccc4[C@H]3[C@]2(C#N)C(N)=O)c(C)c1 247860721 FVNDPQVCVJFAHY-QPXUEMTLSA-N 433.555 5.035 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 254866004 ULOYTUVYXLVYLM-CQSZACIVSA-N 449.894 7.026 30 40 IKEB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 257348917 KAIVGEVOBNIWLR-KPSKIDHESA-N 428.657 5.705 30 40 IKEB COc1cc(/C=N\c2ccccc2O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408540960 ABIGGCMXYPHVAL-VEILYXNESA-N 444.531 5.357 30 40 IKEB CCc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 408702425 CHRBQLBXVHDCAL-XOJXFWDVSA-N 433.548 5.042 30 40 IKEB CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 408969675 RUKLPJSTRGLKIK-OVVQPSECSA-N 432.589 6.809 30 40 IKEB Cc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl 409016503 UMRALDSJVJTHHP-NDENLUEZSA-N 442.371 6.293 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)S2)c1 409063338 AAKDNCTXKOFNCL-STZFKDTASA-N 436.989 6.691 30 40 IKEB CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC 409201835 OEKWFAHKHCLHAB-WKTMJKCCSA-N 438.637 7.099 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1-c1ccc(O)cc1 409300100 UTEHORLSOVDRFW-UHFFFAOYSA-N 440.547 5.440 30 40 IKEB COc1ccc(/N=C2/C(=O)N3c4c(cc(F)cc42)C(CN2CCC(C)CC2)=CC3(C)C)cc1 575473282 QVTAVNVXMAAQSB-RMLRFSFXSA-N 447.554 5.209 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl 669401 YKXVKWNYSYPDTF-HSZRJFAPSA-N 443.374 6.546 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cccc(Cl)c1Cl 1079573 RFQRCRSYHJVAOJ-INIZCTEOSA-N 432.322 6.296 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)cc1 2066841 LEWAGCDJPBWOJU-HSZRJFAPSA-N 425.569 5.423 30 40 IKEB C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 8934783 XJRNJVPPRHJVJP-OAQYLSRUSA-N 446.528 5.108 30 40 IKEB COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2ccc3ncccc3c21 14945042 HTODOGDMKHAXPQ-VKGTZQKMSA-N 432.523 6.202 30 40 IKEB N#Cc1c(O)nc(SCCCOc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 15859795 ZPKMUURMLNCIAB-UHFFFAOYSA-N 432.332 5.589 30 40 IKEB N#CC1(C#N)C(C#N)(C#N)[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1cc3ccccc3cc12 18284968 QJJKHZQOOVMKJU-RNPORBBMSA-N 448.485 5.438 30 40 IKEB C=CCOc1ccc(/C=C(\C(=O)c2ccc(OCC)cc2)c2nc3ccccc3s2)cc1 27018248 BEYRWXBXCGKPOC-PTGBLXJZSA-N 441.552 6.683 30 40 IKEB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 28537544 UVFOCYGYACXLAY-ZDQUCUCBSA-N 426.685 7.412 30 40 IKEB endogenous,in-man CCCCCCCC(=O)Oc1ccc(OC(=O)CCCCCCC)c2c1C(=O)C=CC2=O 68568734 SJZIGVUFTIBVAV-UHFFFAOYSA-N 442.552 6.154 30 40 IKEB biogenic Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)c1 83309972 PNLDWLZUIVRJPR-QRVIBDJDSA-N 433.552 5.610 30 40 IKEB C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c1ccccc1 96803784 JDVSIHZJXICDCV-MMDHUZEPSA-N 447.585 5.722 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl 101315348 SRSOJXJDJDRYLG-MSIBFWPZSA-N 431.319 5.224 30 40 IKEB O=C(CO/N=C\c1cc(Cl)ccc1OCc1ccccc1Cl)Nc1ccccc1 107712681 ZGUOIEPBKDTJLL-MXAYSNPKSA-N 429.303 5.562 30 40 IKEB O=C(O)c1cc(N/N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)ccc1Cl 408603516 RLIJVOMNGMKRIM-GATIEOLUSA-N 433.266 5.856 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1OCC(C)C 408914382 USBMJMGDKHBEFQ-WRIATZMJSA-N 438.593 6.051 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccccc2C)cc1Cl 409202776 UTAPXKCSTRTOAG-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@](C)(CC)OC3 2305116 RJTBMKBGGHPUKJ-HSZRJFAPSA-N 426.607 5.665 30 40 IKEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1cccs1)O2 2704827 REEPVHFGHHQHDO-MOSHPQCFSA-N 428.469 5.004 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 3098422 VBHXRBFTMHYHBI-NRFANRHFSA-N 448.390 6.083 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 6473696 AJKYOJCZUDFUEE-PDGQHHTCSA-N 425.307 5.601 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1 9144563 OTONKSDNNKIJLV-SSDVNMTOSA-N 438.237 5.622 30 40 IKEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)CCCC3 9234237 RUDFLUDTVWCYGM-LUOAPIJWSA-N 443.450 5.498 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2nc(-c3cccs3)n[nH]2)n(C2CCCCC2)c1C 12778814 DCGQKVRGKBRRRN-UHFFFAOYSA-N 440.598 5.059 30 40 IKEB O=C1Nc2cc(Br)cnc2N/C1=C\C(=O)c1ccc(C2CCCCC2)cc1 16401260 JMNDCOXBLMQSMC-WQRHYEAKSA-N 426.314 5.023 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2C#N)C1 17100042 POKKOXYKBYYTQJ-LBPRGKRZSA-N 436.408 7.112 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(O)nc(SCc3ccccc3F)nc1N2 17178668 FNEAMGRDWADKJD-IBGZPJMESA-N 433.508 5.178 30 40 IKEB CN(C)c1ccc([C@H](CNc2oc(Cc3cccc4ccccc34)nc2C#N)N(C)C)cc1 27991456 XQQGNBCSJMBTIH-VWLOTQADSA-N 439.563 5.071 30 40 IKEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(Br)cc1 35647564 ICPCJTZRLJELSE-NTEUORMPSA-N 438.144 5.103 30 40 IKEB C=CCOc1c(Br)cc(C2Nc3cccc4cccc(c34)N2)cc1OCC 70453963 MXYXDFITBVBUFI-UHFFFAOYSA-N 425.326 6.102 30 40 IKEB C/C(Nc1ccc(C)cc1)=C1\C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(Cl)cc1 100249808 NTRUXCXPSZLYHC-PLJYQOKSSA-N 432.907 5.397 30 40 IKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1Cl 101650961 QONBAJUSZBELBL-OVJLLXBISA-N 436.364 5.200 30 40 IKEB COc1cc(/C=N\c2cccc(O)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408544168 VKDHDAOCJZOQAR-VEILYXNESA-N 444.531 5.357 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cccc(OCc3ccccc3)c2)S1 408754588 WOZVIBFJKZUTSY-HYARGMPZSA-N 445.500 5.374 30 40 IKEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1c(Cl)cccc1Cl 408898098 UNMDPBUCFZYIMO-YSURURNPSA-N 447.278 5.330 30 40 IKEB CCOc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c1 408906094 HJAVUPNZCICTAV-STWUOGDHSA-N 428.557 6.451 30 40 IKEB C=CCOc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 409087721 HJNFJZLDKVPYDX-ZEHKLFRWSA-N 440.568 5.924 30 40 IKEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 409102340 YXHAGZHYXLSYDN-BHGWPJFGSA-N 447.278 5.330 30 40 IKEB Cc1ccccc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 409212603 QVXDCPVTZMKXJC-HYARGMPZSA-N 430.323 5.276 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(CCC)C2=O)cc(OC)c1OCc1ccccc1 409344389 JABPKDJHADUDAN-RCCKNPSSSA-N 439.602 5.614 30 40 IKEB CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCC 780229 XJHKOKBAKANTME-UHFFFAOYSA-N 429.944 5.181 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N\c1cc(C)ccc1C 1416228 NWBGBTNMXMVFRS-WTVYTQLBSA-N 435.593 5.375 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 2183155 HCMBQUARCSDHKN-UHFFFAOYSA-N 428.623 6.007 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)cc1 2271597 MAKAEKVFRHITCN-UHFFFAOYSA-N 426.556 6.754 30 40 IKEB CC(C)(C)c1ccc(C(=O)C[n+]2c3n(c4ccc(C(F)(F)F)cc42)CCCCC3)cc1 3262856 ACDRFPGHNWRAQM-UHFFFAOYSA-N 429.506 5.854 30 40 IKEB O=C1C=C2C(=N[C@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 9272396 WCSNDIBBXOJAOR-DLSWINDVSA-N 442.562 6.597 30 40 IKEB O=c1c2c(nc(N/N=C/c3ccccc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1 9410623 DACJFTBFSSAZPH-TWKHWXDSSA-N 446.554 5.713 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(CC)cc2)cc1 9454079 ZNHQUHCKIGMDLT-HSZRJFAPSA-N 446.503 5.117 30 40 IKEB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 14152818 GNPIYYBFHBGFOS-UHFFFAOYSA-N 429.332 5.361 30 40 IKEB Cc1ccsc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1cccc(Cl)c1 14361057 CTAKUWBJEVMYHL-OAQYLSRUSA-N 437.996 6.405 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C(C)=O)cc1 15945273 LLRYHZAZHYKABI-ZMPCKTLKSA-N 437.590 5.663 30 40 IKEB Cc1c(/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)c(=O)n(-c2ccccc2)n1C 16249117 VRHHNUNDPFESHM-QQXSKIMKSA-N 439.544 5.149 30 40 IKEB C=CCn1nnnc1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 22110694 PJPODJHUJFILGA-UHFFFAOYSA-N 440.334 5.510 30 40 IKEB C=CCn1c(SCc2ccc(OC)c(OC)c2)nnc1-c1ccc(Br)cc1 32604347 BMONEBYNUZANOC-UHFFFAOYSA-N 446.370 5.203 30 40 IKEB COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 100288610 FEMIEZRCXCANGU-AJGXWLHTSA-N 436.536 6.657 30 40 IKEB C[C@H]1CC[C@@]23CC[C@H]4[C@](C)(CC[C@H]5[C@@]6(C)CC/C(=N\O)[C@H](C)[C@H]6CC[C@]54C)[C@@H]2[C@@H]1OC3 100930966 SMVBJUJFMSJJCO-XOBYPCKPSA-N 427.673 6.927 30 40 IKEB CCCCCCCCCCCCCCOc1ccc(OCCCCCCCCC)cc1 104134563 ICMVFGGACQEVAH-UHFFFAOYSA-N 432.733 9.896 30 40 IKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@H]12 253497847 PXDOMWMSMCFAEF-BKKFLPBGSA-N 444.562 6.254 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 408870016 UUYRLXICJJMMSW-HAHDFKILSA-N 430.529 5.474 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3cc([N+](=O)[O-])ccc3O)sc2-c2ccccc2)cc1C 408974804 HATNPWDFOOHVDK-AFUMVMLFSA-N 444.516 6.154 30 40 IKEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409072816 LFMXPTRTIRTVBT-YSURURNPSA-N 435.242 5.461 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 409098712 OVFIQIMZEOEDSQ-RGVLZGJSSA-N 443.355 6.219 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1Br 409116792 LHJNCMXCYLFEJE-UHFFFAOYSA-N 441.163 5.787 30 40 IKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C 409212287 OPAFMLNEMNFFII-HPUZYZMBSA-N 430.017 6.145 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1C(C)C 409218646 WYLPPHLHVVDFHW-RRJMXWIWSA-N 428.985 6.008 30 40 IKEB C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1cccc(C)c1 672997 AHISMWKYQQHRCZ-UHFFFAOYSA-N 444.560 5.236 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccc([N+](=O)[O-])cc1 1079485 UOYPBBMXWYNOKZ-MRXNPFEDSA-N 426.419 5.037 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCCC 6162080 VKDJRACXIQOLNS-DEOSSOPVSA-N 439.596 5.813 30 40 IKEB N#CC1(C#N)[C@H](C(=O)Nc2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl 8873567 YLXSTDGPKWLPCS-CVEARBPZSA-N 435.108 5.142 30 40 IKEB Cc1sc2nc(SCC(=O)[C@H](C#N)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C 9164942 YIPKUUCMKLNCEH-LJQANCHMSA-N 445.569 5.033 30 40 IKEB CC(C)(C)NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2 9420592 FBNASVVGMBAFSK-LBPRGKRZSA-N 427.536 5.130 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(O)cc2)cc1 9861229 SVVDWRDMLAPSNF-NRFANRHFSA-N 442.496 5.093 30 40 IKEB O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1 12629310 WMXBFICETBXZPQ-PQHDRGKASA-N 443.572 5.280 30 40 IKEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1Cl 13804619 ZTQLDIWVFKTQIF-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB Clc1ccc(COc2ccc3ccccc3c2/C=N/Nc2nc3ccccc3s2)cc1 13940436 GBFDQSOTDLFJPL-JFLMPSFJSA-N 443.959 7.128 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 15973379 SVTAXIKJBLEKHE-HYBUGGRVSA-N 433.511 5.124 30 40 IKEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)N1c2ccccc2Sc2ccccc21 17208429 ZUCBVMVTKQNQMM-UHFFFAOYSA-N 442.539 5.357 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@@H]12 61997582 YQZIRLKEPCVJRH-GUDBEXGGSA-N 443.031 5.085 30 40 IKEB biogenic C[C@@H](Sc1nc2ccc(/N=C/c3ccccc3O)cc2s1)C(=O)Nc1nccs1 100097275 PYYJNXVXPRIIDF-VTGBELTLSA-N 440.575 5.328 30 40 IKEB O=c1c(/C=N/Cc2ccc(Cl)cc2)c(C(F)(F)F)[nH]n1-c1nc2ccccc2s1 100699581 BABRVIJCSMJRKH-YSURURNPSA-N 436.846 5.067 30 40 IKEB CCCCCCCCOc1ccc(Br)cc1/C=C1/SC(=S)NC1=O 408538806 BYCTYVBJJPBENG-FOWTUZBSSA-N 428.417 5.677 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3Br)c2C)cc1 408780576 FKAJHAAEHJFRBG-QFEZKATASA-N 439.353 6.092 30 40 IKEB COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O 408898677 RDHDQTYQOABPKU-UHFFFAOYSA-N 437.580 5.027 30 40 IKEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C(=O)N1CC 408928407 AXBXKPOCCRYRLO-OYPKHVMMSA-N 444.984 5.548 30 40 IKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc4ncccc4c3)N(C)C2=O)cc1 408955705 YQHNAZYTVPQARY-WNOHRPASSA-N 440.528 5.268 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(Cl)cc1 408960232 JZHMBIDLTAOIIE-QWKKMKHHSA-N 425.985 5.954 30 40 IKEB O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=Nc2ccccc2)N1C[C@H]1CCCO1 409012176 JDBCRWSFKKABSX-WLLJNVQWSA-N 448.519 5.869 30 40 IKEB CCOC(=O)/C(=C/C(=O)c1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 409189153 JAMXXHKRAKUPHJ-YBEGLDIGSA-N 443.124 5.498 30 40 IKEB CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 2128275 YRMZPQARRFYNIE-UHFFFAOYSA-N 436.592 6.656 30 40 IKEB CC[C@@]1(C)C[C@](CC/N=C/c2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 4951111 HXQQXLYXXSIJSC-LCEKXPSXSA-N 425.569 5.439 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c(Br)c1 8811477 SLPIAHVQOOZELT-SSDVNMTOSA-N 434.677 5.394 30 40 IKEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 9562085 UZVXMBNKSRIHPE-UHFFFAOYSA-N 445.935 5.190 30 40 IKEB Fc1ccc(COc2ccc(/C=N/Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 11992319 BGDKJJHUEORYKV-LGJNPRDNSA-N 437.927 6.628 30 40 IKEB CC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccc(SC)cc1 12603363 WTLCBWLMHMSQNH-TWMYKCPNSA-N 432.412 5.504 30 40 IKEB C/C(=N\n1c(-c2cccs2)cs/c1=N\c1ccc(Cl)cc1Cl)c1ccncc1 12694311 WYSUYBIPESGMKU-JYPJVVHVSA-N 445.400 6.485 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1O[C@@H](C)C(=O)N(C)C 13042565 OURSJKYHNHQVQD-XYYIANASSA-N 436.335 5.144 30 40 IKEB CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1OC 13568496 APWHKHLFUGVKQB-SFTDATJTSA-N 433.548 5.222 30 40 IKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)c1 13881092 BPRGRPBFRSPLDW-UUYOSTAYSA-N 446.532 5.511 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4o3)c2C#N)C1 14067253 ILEYXPKEPBMTBQ-ZDUSSCGKSA-N 425.579 5.643 30 40 IKEB O=C(Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(C(F)(F)F)c1)c1ccccc1 17023465 LSCOIZUYQCZVAE-KKMKTNMSSA-N 438.232 6.982 30 40 IKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1ccc(Cl)cc1Cl 17101972 AMIUUJYTQBRGGW-NPMABZOXSA-N 438.358 6.433 30 40 IKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 18286675 VFTKHMOCXQDQJR-SANMLTNESA-N 444.619 6.783 30 40 IKEB COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1Cl 19820339 UHZGTUGQZUTPCI-UHFFFAOYSA-N 438.984 6.440 30 40 IKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(C)cc2C)CC1 20395239 GPMUKVSDBFALFB-UHFFFAOYSA-N 449.602 5.335 30 40 IKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249207 PQWHFBRZKSIWMX-LQKURTRISA-N 428.919 6.863 30 40 IKEB C=CCOc1ccccc1/C=N/Nc1nc(-c2ccc(C)cc2)c(-c2ccccc2)s1 59484306 NRCIHQDYQOFCLU-OVVQPSECSA-N 425.557 6.796 30 40 IKEB CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/c1ccc2c(c1)Cc1ccccc1-2 100049992 LBSYYJRAQHJKTH-PNOGMODKSA-N 430.507 6.287 30 40 IKEB COc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccc(OC)cc2)cc1 408722119 FBNMCWIBLVVOQL-MFKUBSTISA-N 445.500 6.153 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl 409033195 NOGNELHACRBWAQ-MMQGLITPSA-N 429.163 5.885 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 409217877 XWXZOQCJFZLXFF-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB O=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)Sc2ccccc21 409323834 PQYFGIPLSXXXRU-FSJBWODESA-N 436.363 7.326 30 40 IKEB Cc1ccc(/N=C2/S/C(=C\c3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 2168231 PAYRFYHAYXRJCI-IIZUOHISSA-N 439.540 5.680 30 40 IKEB O=C(O/N=C1\C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 3063971 FTMUIWYKQQCISJ-QQTULTPQSA-N 425.271 5.101 30 40 IKEB COc1cccc(C(=O)Nc2ccc(Sc3cccc(C(F)(F)F)c3)c(C#N)c2)c1 3104542 HMYZYGHEDAOSLM-UHFFFAOYSA-N 428.435 5.989 30 40 IKEB N#Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1 3287572 YJHVPOIWLWRMGX-UHFFFAOYSA-N 428.289 5.788 30 40 IKEB N#Cc1ccc(-c2ccc(OC(=O)CSC(c3ccccc3)c3ccccc3)cc2)cc1 3447042 LXZYEWAPSWXKGB-UHFFFAOYSA-N 435.548 6.653 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(CC)s1 6197667 VEHPKAAVCHEUTI-JLCFBVMHSA-N 427.591 5.297 30 40 IKEB C=CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(CCC=C(C)C)C[C@H]1C)Nc1ccccc1-2 8452652 VFNQPQLDBNDLTA-DRMXPCRNSA-N 448.636 6.666 30 40 IKEB CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2)cc1 9561921 MGMFJPIPZUOOHX-UHFFFAOYSA-O 427.496 5.189 30 40 IKEB Cc1ccnc(N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(Cl)cc2)c1 12634223 ZIVANBKPGUYQHS-FQEVSTJZSA-N 439.298 5.480 30 40 IKEB C/C(=N\Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccccc1 12650709 BAZSWVFNELLLQD-JVWAILMASA-N 444.560 5.135 30 40 IKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 13653661 NXHQZHWFMNLASK-WSHPORRNSA-N 447.284 5.684 30 40 IKEB C=CC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccc(SC)cc1 15980872 RBKGVSVXOFIHPS-JTBXLCSZSA-N 444.423 5.670 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC 16688997 OBYLQELKWCYVSP-STZFKDTASA-N 441.574 5.060 30 40 IKEB N#Cc1c(NC(=O)c2nc3ccccc3s2)sc2c1CCN(Cc1ccccc1)C2 23153770 OJOBWDNYXMIABG-UHFFFAOYSA-N 430.558 5.040 30 40 IKEB C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nnc1-c1ccco1 23202074 SHJNPLQVRNZBQM-UHFFFAOYSA-N 446.492 5.030 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)c([N+](=O)[O-])c1 59514296 OCUJMQUIRNMCCW-CIAFOILYSA-N 435.421 5.351 30 40 IKEB CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 95862771 ICDMLAQPOAVWNH-YHZGQTRVSA-N 431.661 6.449 30 40 IKEB in-vitro O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cccc(Oc2ccccc2)c1 408749916 UYFSXJRWYOVNDP-UDWIEESQSA-N 441.339 6.677 30 40 IKEB CCOc1cccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408850327 LLYYSVHTRDQGFH-UUYOSTAYSA-N 436.758 6.996 30 40 IKEB CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)cc1 408959819 GGZOZFBPCOGXKT-IYAWTGHFSA-N 449.576 5.087 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)S2)cc1 408963168 ALVWZDUHBOBBDP-HYARGMPZSA-N 434.492 5.305 30 40 IKEB COc1ccc(OC)c(COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2OC)c1 408985961 OGCDGNDFMYNAGZ-CFRMEGHHSA-N 434.513 5.621 30 40 IKEB CCOc1ccc(/N=C/c2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc23)cc1 409202163 PISRDOMPODULAC-RDRPBHBLSA-N 438.527 6.315 30 40 IKEB F/C(=C/CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330560 WPOGWQQXPOKULW-HNQUOIGGSA-N 446.100 6.531 30 40 IKEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1427285 SQHYDVPMWNWVHI-CRICUBBOSA-N 441.556 5.143 30 40 IKEB C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 3282132 KYINAHHIDJUVCW-UHFFFAOYSA-N 446.620 5.500 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1csc(-c2ccccc2)n1 3354325 QBDJQEFUJBRDFI-UHFFFAOYSA-N 428.538 6.190 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1 4065377 YKANPUHHWKGAIN-QDJRPKQISA-N 435.618 6.302 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccc(F)cc1 6077222 XAYYHUCDEMJUOB-AREMUKBSSA-N 440.518 6.279 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl 6177273 SRSOJXJDJDRYLG-CZYCVGMRSA-N 431.319 5.224 30 40 IKEB CCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 8385592 HNWOZRVCMOZARI-UHFFFAOYSA-N 428.686 8.538 30 40 IKEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Br)c1OCC 9195378 RRMVQDNRMUSSQQ-LSHDLFTRSA-N 446.172 5.677 30 40 IKEB CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 9270876 YSLRDVYZMDKANX-QFIPXVFZSA-N 433.891 5.522 30 40 IKEB Brc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12465044 JEYYRFVFUFXRQW-YZSQISJMSA-N 432.365 5.171 30 40 IKEB CC(C)/N=c1\scc(-c2ccc(F)cc2)n1/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 12564074 SIGXLGCQVHWZOJ-GFMRDNFCSA-N 449.338 5.176 30 40 IKEB Cc1ccc(S/C(=N\Nc2ccc(Cl)cc2)C(=O)c2ccc3ccccc3c2)cc1 13410229 VRSYFMNWEDZONQ-FVDSYPCUSA-N 430.960 7.202 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C)cc1C 14133420 NWLAXMWHPICXRV-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 16807385 VAEOSPLUXZLREG-INIZCTEOSA-N 429.973 5.124 30 40 IKEB COc1ccc(CN/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1OC 20196619 VZVLZVLFWCPQGU-RWPZCVJISA-N 433.939 5.484 30 40 IKEB O=C(Nc1cccc(OC(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 26070505 RMIRWTCMVTZAER-UHFFFAOYSA-N 433.283 5.181 30 40 IKEB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3C#N)c12 36615798 RMFCGZVBTKDEAE-UHFFFAOYSA-N 427.895 5.384 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)SC1=S 40006209 RUOMFRRPCVAZIP-DEDYPNTBSA-N 429.538 5.191 30 40 IKEB F/C(=C\CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531082 PEBAMZJOJUNWOR-IWQZZHSRSA-N 446.100 6.531 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccc(Cl)cc1 408702497 FLIZFGUQINFPRH-VTJDKEBTSA-N 439.939 5.133 30 40 IKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Cl)c(Cl)c1 408741918 SNODFQNDHCKGOS-RPPGKUMJSA-N 428.388 6.964 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2c(C)cccc2C)N(CC)C1=O 408914827 XYIZQMLBJPUYJY-BDOZFWBASA-N 444.600 6.869 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3Cl)c2C)c1 408967732 UDCYBTWBGGMYKB-VULFUBBASA-N 438.911 5.461 30 40 IKEB CC(C)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 408969266 KIRUCPFOZFUMNJ-MTDXEUNCSA-N 430.617 7.533 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)o2)c(Br)c1 409249349 TZWIFRMVKPTQOP-WGOQTCKBSA-N 432.317 7.560 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccccc1Br 409281569 DXVCMDVYTDKPEE-UHFFFAOYSA-N 444.288 5.454 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3cn(C)c4ccccc34)c(C#N)c2-c2ccc(C)cc2)cc1 409353475 LQQAZPODOWAAIP-KBVAKVRCSA-N 429.523 7.344 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(Br)cc3)c2)cc1C 409380577 NUSMGZLOVHFLAZ-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)c1OC 409406651 YBHYRMVCUZIOPJ-UHFFFAOYSA-N 433.895 5.006 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CCC(=O)O)ccc1OCC 585263886 BMDCJHITICNRKM-ZLDNNBEGSA-N 442.983 6.582 30 40 IKEB N#Cc1c(F)cccc1N(Cc1cccnc1)C(=S)Nc1ccc(Cl)c(Cl)c1 1048678 PYZKESKTGKTNID-UHFFFAOYSA-N 431.323 5.803 30 40 IKEB C[N+](C)(CC#CCCCCCCC#CC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 1745948 WXPSRJDUDWGBKM-UHFFFAOYSA-N 430.680 5.887 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3Cl)nc2c1 3024718 KLSXAZPKSHHTJO-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB CN(CC(=O)Nc1ccccc1SCC#N)Cc1ccc(-c2ccc(Cl)cc2)o1 9502944 DLFNTZGUSWFCAC-UHFFFAOYSA-N 425.941 5.286 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c(Br)c1 10118818 KTUOPTWGIXZPDU-SSDVNMTOSA-N 434.677 5.394 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc21 10237911 DTXROJRAKAGJKG-UHFFFAOYSA-N 426.756 5.913 30 40 IKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(C(=O)OC)cc2)c2nc3ccccc3o2)cc1 11614477 MQZYHEQYODWQPD-ZYQGRCJCSA-N 439.467 5.950 30 40 IKEB Cc1cc(SCC(=O)Nc2cc(Cl)ccc2Cl)n2c(nc3ccccc32)c1C#N 13146407 WMCLWVHAVPKWDF-UHFFFAOYSA-N 441.343 5.705 30 40 IKEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)s1 18200816 DWXRYRSWBFAUSL-IVZQSRNASA-N 443.528 5.087 30 40 IKEB Cc1ccc(-c2nc(C#N)c(N/N=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)o2)cc1 19927945 SKTLUQBCDMVWEJ-QDTIIGTASA-N 436.393 6.247 30 40 IKEB N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccc(Cl)c4)CC3)s2)cc1 24828890 CQUUELPIYDTSEW-UHFFFAOYSA-N 426.954 5.026 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@H]2c1cccc(Cl)c1 44858725 MKCBYXVUQQJDHM-QFIPXVFZSA-N 446.938 5.447 30 40 IKEB Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)sc1SCC#N 48365017 XZOHZGAZPKYVEM-UHFFFAOYSA-N 448.577 5.312 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](CCC)C(=O)O)C2=O)cc1 101014805 UUJHKKOKSMAUKB-MPSQLMGGSA-N 449.638 5.880 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cc2cccc(OC)c2o1 101191485 WJSVEVRAEUNIQC-UHFFFAOYSA-N 448.548 5.234 30 40 IKEB F/C(=N\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 114317419 DVQXCHAOWHNHSQ-CYPCERQJSA-N 433.061 5.613 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1CC 408560527 JPMCJXRWMWLHNG-UHFFFAOYSA-N 429.417 5.849 30 40 IKEB CCOc1ccccc1/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 408733036 DKFPDRMYOYOWOE-CVKSISIWSA-N 435.932 6.923 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)NCc1ccco1 408806472 NHIUFWAHGJTMIR-PKAZHMFMSA-N 426.472 5.518 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C1=O)OCO2 408870175 SBEOMOYNNLSJGH-WUZWZOCBSA-N 434.561 5.906 30 40 IKEB COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OCC#N 408912035 KLXDPLPBOKHCFH-YUMHPJSZSA-N 445.544 5.541 30 40 IKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc1 408914644 VMJCBGOUUVTYDR-WEOUEGTISA-N 444.600 6.198 30 40 IKEB C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408945996 XWATYTIRQAQUED-HGPMORKZSA-N 440.974 7.482 30 40 IKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccc(OC)cc1 408962272 XWZAIDFIEOTRCQ-CMEWOCMCSA-N 446.576 5.176 30 40 IKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968807 ZJKPKGDFXJENPM-VULFUBBASA-N 443.816 7.558 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)sc2c1CCCC2 409063201 INOIABHJGFKODS-BUVRLJJBSA-N 441.553 5.453 30 40 IKEB O=[N+]([O-])c1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 409078310 HVQKCGJUHAAJSC-MSXFZWOLSA-N 431.326 6.065 30 40 IKEB Cc1ccc(COc2c(Cl)cc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2Cl)cc1 409097954 OYCWKIBQJBCVMW-BHGWPJFGSA-N 431.279 5.630 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 409200170 HGPMRRZMVAZEMI-MFKUBSTISA-N 440.337 6.186 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 409293137 JFHBGUFVAOTQEA-UHFFFAOYSA-N 444.834 5.254 30 40 IKEB CC(C)Oc1ccccc1/C=N\n1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 1531139020 LUABIGCPGLVLLD-CFRMEGHHSA-N 442.357 5.126 30 40 IKEB O=C(/C=C/Nc1cccc(-c2ccccc2N/C=C/C(=O)C(F)(F)F)c1)C(F)(F)F 2313066 SJRVXUNODVGNTM-GFULKKFKSA-N 428.332 5.468 30 40 IKEB O=C1C2=C(Nc3nc(C(F)(F)F)nn3[C@H]2c2ccc(Cl)cc2Cl)c2ccccc21 2635423 RZYOLVDVNATONR-HNNXBMFYSA-N 437.208 5.226 30 40 IKEB COc1c(O)ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1[N+](=O)[O-] 3206537 UQLVLFWQFRDLSF-HSZRJFAPSA-N 444.487 5.772 30 40 IKEB CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1cc(Cl)ccc1C 8385197 UVGSRIKXBAAQKN-FNWSHLARSA-N 429.973 5.245 30 40 IKEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 9244734 IXOGOTXDINCQON-NSHDSACASA-N 425.318 5.006 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 9517106 WRZKECVQFDUESC-UHFFFAOYSA-N 442.540 6.144 30 40 IKEB Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@@]2(/N=C/c3ccccc3O)CCCC[C@H]12 12375287 PPJFANUQDXSZTQ-WUVSORNESA-N 426.516 5.656 30 40 IKEB N#Cc1cccnc1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 12741966 WQSKPSLBMSEYEM-UHFFFAOYSA-N 438.343 5.718 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@H]2c1ccc(C)cc1 15024034 OZDRJIWWJNRYEC-ZJSXRUAMSA-N 426.516 5.143 30 40 IKEB Cc1ccc(O)c(/C(CCCCCCCCCC/C(=N\O)c2cc(C)ccc2O)=N/O)c1 16284615 ANFNIGZCOYDJTJ-LMCGJEQXSA-N 440.584 6.672 30 40 IKEB Clc1cccc(/C=N\Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1Cl 33398610 KDEOOYRWKMDXQY-OYKKKHCWSA-N 442.354 5.358 30 40 IKEB CC1(C)[C@H](C=C(Br)Br)[C@H]1O[C@@H](C#N)c1cnc2ccccc2c1 35181708 LAVBPVFCUCRKLJ-UKPHBRMFSA-N 436.147 5.472 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59678375 OGKJGCGEFBUBPK-LFVJCYFKSA-N 425.326 5.947 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2cccnc2)CC1 72345212 VDFVQWAZBFUAGC-UHFFFAOYSA-N 443.566 5.015 30 40 IKEB CCCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 97952975 MUUVYRSJUZVUTP-XMMPIXPASA-N 445.651 7.396 30 40 IKEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)C1 100003719 QUYQBEJRYLGLOV-IBGZPJMESA-N 447.915 5.107 30 40 IKEB CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOC 100923916 GWOYBBMLWDVWTR-UHFFFAOYSA-N 448.685 5.417 30 40 IKEB Cc1ccc(O)c(/C(=N/CC/N=C(\c2ccccc2)c2cc(C)ccc2O)c2ccccc2)c1 104234039 AUKIXWNAUSDAAQ-JWTBXLROSA-N 448.566 6.090 30 40 IKEB N#Cc1ccc(COCC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)cc1 206599563 VZDKXYAPBWJDSZ-UHFFFAOYSA-N 438.527 5.251 30 40 IKEB COc1cc(C#N)cc(I)c1OCc1ccc(Cl)cc1Cl 226364225 WFRSAGDKHNABDH-UHFFFAOYSA-N 434.060 5.057 30 40 IKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(I)cc1 408625128 WLRSSICYISBOBZ-MDWZMJQESA-N 427.285 5.595 30 40 IKEB Cc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1Cl 408806542 BELSBWUUODIJJB-YVNNLAQVSA-N 441.177 7.559 30 40 IKEB CCn1c(C)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c21 409031634 HTAAZQJHMWDQHC-IJFXDBOGSA-N 431.355 6.299 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O 409067516 RBMCPACFNPGLBH-WOJGMQOQSA-N 448.313 5.390 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Br)c(O[C@@H](C)CC)c(OCC)c2)C1=O 409070018 KJBRSGNPUDACGO-JASJWYONSA-N 440.359 5.247 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccc(Cl)c1Cl 409094922 GOQYEJRWLCVVAT-JQAMDZJQSA-N 427.257 6.261 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OC(C)C 409314777 HFHZZHNTDPUIMY-HNNXBMFYSA-N 442.357 5.342 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC 409350097 XEHYIJZMFDULIF-STZFKDTASA-N 425.575 5.673 30 40 IKEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccc(F)cc1 409404293 KJDXZBDHBOEYTK-UHFFFAOYSA-N 436.490 5.492 30 40 IKEB C=CCN(CC=C)C(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 980356 DCMXQBKOEVEICN-UHFFFAOYSA-N 438.560 5.125 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br 3202776 VSMHVIQWDWYILH-FQEVSTJZSA-N 446.385 5.396 30 40 IKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@H]2c1ccco1 6498690 COFDEJPZEYLXTK-QUGAMOGWSA-N 428.488 5.112 30 40 IKEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 8821035 MPHUNDVQCKBKLF-WOJGMQOQSA-N 443.297 5.740 30 40 IKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccc([N+](=O)[O-])cc1 8821199 AGFZJHLUSVZSTG-AUWJEWJLSA-N 427.791 5.159 30 40 IKEB FCCCOc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 8855506 SKFWWFUBQJGNAI-UHFFFAOYSA-N 434.311 6.198 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C#N)C1 9434399 GOLHMTYNORBMKP-CQSZACIVSA-N 429.586 5.427 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1F 9556366 HQVXTOSIPJLNIP-UHFFFAOYSA-N 449.404 5.648 30 40 IKEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1cc(Br)ccc1OC)C2=O 13655026 SNSAQKHQFIFODM-NDENLUEZSA-N 446.341 5.011 30 40 IKEB Cc1ccc([C@@H]2[C@H](Cc3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@@]2(C#N)C(N)=O)c(C)c1 20470019 FVNDPQVCVJFAHY-ODNCNNFYSA-N 433.555 5.035 30 40 IKEB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 32124814 RMVPGKICTKBHSA-MRXNPFEDSA-N 433.577 5.485 30 40 IKEB CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 73658738 DOMWKUIIPQCAJU-OUBOFRHOSA-N 428.613 5.970 30 40 IKEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cccc(C(F)(F)F)c1 100527718 ZXFFUMKBNARTBI-YZSQISJMSA-N 429.427 5.020 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O 118916411 NDZYXAXWOZOQAQ-AHYJTFPLSA-N 434.624 5.884 30 40 IKEB CO/N=C(/C)[C@@H]1/C(=N/OC)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 257198391 KLCZPBNZZJGNRW-MJHLWWTLSA-N 432.605 5.212 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(OC)cc3)c2C)cc1[N+](=O)[O-] 408650421 FOIDTGLSWITIMC-MDWZMJQESA-N 448.475 5.084 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)c1 408758510 LIKQYJJWWKIVLT-UUYOSTAYSA-N 435.980 6.256 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3Cl)c2C)cc1 408783159 KSMNSTCOSIHMLQ-VULFUBBASA-N 438.911 5.461 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OC 408944765 VASXXQAHMWZQSS-GYWSPCNESA-N 444.962 6.934 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 409058201 JBISSNNKLIMJLH-MTDXEUNCSA-N 449.664 6.349 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccc(F)cc1 409122421 YHPCTRAVTLHXLX-UHFFFAOYSA-N 425.931 6.716 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 409209981 HNAAKIMPCGQJLD-RPPGKUMJSA-N 447.749 6.723 30 40 IKEB CCOc1cc(/C=N\Nc2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cn1 409212830 QXZNQHUNCUBXET-FMCGGJTJSA-N 435.465 5.237 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409213732 QNUNFSWMDAXVOK-MZJWZYIUSA-N 441.358 6.632 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1C(C)C 409216785 OLRZIWWWSNZUGN-GRUKXCDCSA-N 439.537 5.263 30 40 IKEB CCCCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409389418 YUGVGWCAIDRYJF-LQKURTRISA-N 438.930 6.590 30 40 IKEB O[C@](C#CC[N+]1(Cc2ccccc2Cl)CCCCC1)(c1ccccc1)C1CCCCC1 1822677 AMIRLCXYJUPMMX-MUUNZHRXSA-N 437.047 6.312 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)c(Cl)c1 4017672 GKAWLAILRMFUEH-VUTHCHCSSA-N 436.898 7.066 30 40 IKEB CCCCCCCCCCCCSc1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 8432930 PZKXDISQWWDGIK-UHFFFAOYSA-N 449.661 5.995 30 40 IKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N1CC 8821657 QJQYJMGMBFEPBK-AQWOHROKSA-N 430.957 5.240 30 40 IKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1 8826420 BMPMYCNETFWDCE-QHCPKHFHSA-N 436.475 5.630 30 40 IKEB COc1ccc2c(-c3ccccc3)cc(SCC(=O)[C@H](C#N)c3nc(C)cs3)nc2c1 9465038 NYKLDOIUVRAZKW-FQEVSTJZSA-N 445.569 5.644 30 40 IKEB CCn1c2ccccc2c2cc(/N=C3/C=C(c4ccccc4)[C@@](O)(c4ccccc4)C3)ccc21 12524581 MOUHOLTUVPPVLV-RTWZCCMVSA-N 442.562 7.262 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C(F)(F)F)c1 13286414 MEQKKQNRCGBEPY-MRYQGKFNSA-N 435.496 5.699 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1OC 13568523 SZVJJKBBXRRTCE-WGDIFIGCSA-N 430.504 5.585 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)cc1C 14117844 JUPVEESRVQKQMU-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 18251543 BWOUVQLTWXPQMX-WOARFCOISA-N 443.528 5.459 30 40 IKEB COc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1OC 20196292 KFOKUJCBNBAQBB-MZJWZYIUSA-N 445.346 5.713 30 40 IKEB Cc1c(C#N)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)n(C2CCCCC2)c1C 57281327 JUASFONMHUFKQD-SFHVURJKSA-N 449.624 5.723 30 40 IKEB CCOc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccccc1 59193619 LYUFHEIWIYUAGH-WGOQTCKBSA-N 443.528 5.874 30 40 IKEB CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 97951400 ZJDBJMOIQDHCPR-FQEVSTJZSA-N 437.422 5.592 30 40 IKEB Cc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 100145234 PCGLHIBYWJVPOM-RUMWWMSVSA-N 446.981 8.524 30 40 IKEB O=C1C(=O)N(c2nccs2)[C@H](c2cccc(Cl)c2)/C1=C(\O)c1ccc(Cl)cc1 102863910 LYVLFACVDGUCBI-IBOXJLQUSA-N 431.300 5.076 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)S/C1=N\c1ccccc1 408866622 HLDDIBDFEFZNDB-KIFLEJAUSA-N 449.620 6.453 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N\c1ccccc1 408881185 KEHGQGIJJVWENF-KHLYINQASA-N 431.561 5.772 30 40 IKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(C)cc1 408931917 SCCWHXPSMRTSPJ-TURZUDJPSA-N 430.548 5.560 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCC2)c(F)c1 409066300 BNTSBUHWNUPTQY-BOPFTXTBSA-N 436.339 5.624 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)cc1 812876 NKZJACGFXGJYRH-MYUZEXMDSA-N 442.515 5.389 30 40 IKEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)N1 1100150 QXRKAJNLALRQLX-NRFANRHFSA-N 433.305 5.097 30 40 IKEB CC1(C)[C@@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 1843672 ZXQYGBMAQZUVMI-XJEXQDGXSA-N 449.856 6.544 30 40 IKEB in-man COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 2133402 JFDAJWXBYOTKBR-FTWDSPQQSA-N 440.451 5.238 30 40 IKEB biogenic CCOc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 9243114 NXOUPXDCLRTMHD-FLQJWANXSA-N 443.474 5.407 30 40 IKEB O=C1N/C(=N\c2ccc(Br)cc2)S[C@H]1Cc1cccc(Cl)c1Cl 9272139 JPORGMDGWOQHJJ-ZDUSSCGKSA-N 430.154 5.218 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4ccc(OC)cc4)ccc3C2=O)c2ccccc21 9422674 JTVMDZNYILMNGU-VULFUBBASA-N 425.484 5.865 30 40 IKEB N#Cc1cccnc1Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 12749577 UKLCAIORTVWVQP-UHFFFAOYSA-N 425.304 5.054 30 40 IKEB N#Cc1ccccc1CSCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 12757248 RGKVPMLJMVKWKK-VQTJNVASSA-N 435.618 5.491 30 40 IKEB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 13550173 CGSSCFISYSKLIY-NJMAKWBESA-N 435.892 6.057 30 40 IKEB C=CCn1c(-c2ccc(Cl)cc2)c(Br)s/c1=N\c1c(C)cc(C)cc1C 16711526 PTKXFLGZJQHRBQ-FLFQWRMESA-N 447.829 6.976 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 44859196 OPQQCNGWMJBAPQ-DEOSSOPVSA-N 440.547 5.410 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 59484286 WCINHDQMSOPNQX-VULFUBBASA-N 438.383 7.538 30 40 IKEB CCC(/C=N/n1c(-c2cc(OC)ccc2OC)cs/c1=N/c1ccc(F)cc1)CC 103461470 ADBPHKCZGXLARO-GMRGLBKCSA-N 427.545 5.875 30 40 IKEB O=C(Oc1c(Cl)cc(Cl)cc1/C=N\c1cccc(C(F)(F)F)c1)c1ccccc1 104160934 LSCOIZUYQCZVAE-PPDIBHTLSA-N 438.232 6.982 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 118916321 PXDOMWMSMCFAEF-LTPDGCMNSA-N 444.562 6.254 30 40 IKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408784675 RPBVRPYQJSPMGJ-YUMHPJSZSA-N 446.392 7.015 30 40 IKEB COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc(OC)c1O 409087953 VEYKGFADGOYCPG-YVQDBNNVSA-N 446.956 5.323 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1C 409214904 VELHALDIDQDFRW-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 809047 CETRNPAQZPQUDJ-VWLOTQADSA-N 442.471 5.786 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc12 2372423 JSABJAURVBKOSL-UHFFFAOYSA-N 429.568 5.419 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(Cl)cc3)cc2)SC1=S 2843844 IMLFGUSTQOTZKB-HKWRFOASSA-N 445.993 5.575 30 40 IKEB CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](C#N)[C@@]2(O)C1 4350027 IKAYYSYGCHKPAB-RLYIJJBNSA-N 443.716 6.987 30 40 IKEB Cc1ccc([C@@H]2N=C(SCc3c(F)cccc3Cl)NC3=C2C(=O)c2ccccc23)cc1 8781565 GLSDWIARAGBKDB-QFIPXVFZSA-N 448.950 6.329 30 40 IKEB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 8811986 XJKHMZUYWGJYOJ-LQKURTRISA-N 445.906 6.104 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)sc1C 8836618 NMFAUXJJCPWEBT-MRXNPFEDSA-N 430.938 5.258 30 40 IKEB CCCCCC(=O)c1c(C(=O)c2ccccc2)ccc2c1NC1=C(C=N2)C(=O)CC(C)(C)C1 9720984 HURJGCKPFBJUSM-UHFFFAOYSA-N 442.559 6.452 30 40 IKEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 9971260 HUYXGJWAGCRFOS-MHHKKEGSSA-N 426.516 6.241 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c1 14408849 NDFDCCQALFQXIJ-WSDLNYQXSA-N 426.816 5.181 30 40 IKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1O 16269533 MQGLXKZONDACEC-RPPGKUMJSA-N 443.381 5.631 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(F)c1 18156947 VUXPEMRNQDGDKF-LYZGTLIUSA-N 440.518 6.055 30 40 IKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35646123 URWAZAFYBWPTNS-YVLHZVERSA-N 449.746 6.798 30 40 IKEB C=CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CC(C)(C)C)CC1 72345148 XFTBAUSMVMAXQI-UHFFFAOYSA-N 446.635 5.552 30 40 IKEB COc1ccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C#N)cc3)N2)cc1 80324778 DOFKCSOVVDYOFQ-ISKFKSNPSA-N 446.348 5.552 30 40 IKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4Br)OCO5)c3C)nc2c1 100502236 YCAWLUWDXCXSTB-OPEKNORGSA-N 449.304 6.353 30 40 IKEB CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC 408534282 UVJCVLZOFXCVNY-UYRXBGFRSA-N 430.957 5.728 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(I)c1OCC 408691606 IFBPATHLTOEBPW-DHZHZOJOSA-N 436.289 5.293 30 40 IKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)ccc1OC 408938299 PZYCHQHCNDJMLI-BZKNYGTMSA-N 438.571 6.979 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3cccc(OC(=O)c4ccccc4F)c3)n2)cc1 408948214 CIUMOYATQMTFNZ-VULFUBBASA-N 431.492 5.923 30 40 IKEB CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OCCCC)cc3)OC2=O)cc1 409003773 LAPILKISQJTSLV-QQTULTPQSA-N 435.564 6.559 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccccc1Cl 409109262 AQXATFDOSORXRN-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 409209602 GSNJTOAUOBBTMY-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1 1414684 CNOCCSRKDOGPAD-RUZDIDTESA-N 436.511 5.297 30 40 IKEB COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)c1 1439855 WZOYIUBDCZQEMK-QYBDOPJKSA-N 430.935 6.328 30 40 IKEB COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 1776801 CROBBNXGNDZQNX-WYMLVPIESA-N 444.556 5.738 30 40 IKEB N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)cc1 2639741 QBOWJYUAEZTQIU-UHFFFAOYSA-N 438.343 5.800 30 40 IKEB CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 6600733 QMIRZNGEMIBCFH-LHHJGKSTSA-N 427.327 6.867 30 40 IKEB CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2sc3c(c2C#N)CCCC3)cc1 8904582 TUUKZWMSZSLIRJ-UHFFFAOYSA-N 442.584 6.111 30 40 IKEB COc1ccc([C@H](CNc2oc(-c3cccc4ccccc34)nc2C#N)N2CCCC2)cc1 27991992 FFPMYJGPRCROPJ-VWLOTQADSA-N 438.531 5.624 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2cccc(OC)c2o1 33601902 QBQHFJHYHCAGJC-UHFFFAOYSA-N 448.548 5.234 30 40 IKEB Oc1cc(Br)c(/N=C/c2cc(Br)ccc2O)c(Br)c1 38179879 HESJXPKXYVTDGH-UBKPWBPPSA-N 449.924 5.136 30 40 IKEB FC(F)(F)c1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1 59514354 DVRUPNGXYOCAKE-CVKSISIWSA-N 441.461 5.070 30 40 IKEB O=C(/C=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 100662139 SAPBNQKUSMETLU-WAYWQWQTSA-N 438.165 6.295 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 102800573 XZQOAGHGJHTIHM-YDJIHCHBSA-N 448.475 5.217 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(O)cc1O 104348853 VMKYOVPRCOYZRR-LHLOQNFPSA-N 435.678 6.377 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccnn1-c1ccccc1)C2=O 225597709 PSHMDRHQJHJFAC-GGMKDCOYSA-N 442.603 5.758 30 40 IKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2F)c(Br)c1 408593385 PMGQJAFVZCAFRU-LGJNPRDNSA-N 439.284 5.590 30 40 IKEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1cccc(Br)c1 408722462 JBVCJTVHVGWTQN-ATJXCDBQSA-N 439.265 5.161 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)S2)c(C)c1 408723863 WSQMDXMGESHXPV-OEAKJJBVSA-N 448.975 6.427 30 40 IKEB O=C1C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)c2ccccc21 408818005 OQHDWPYZFJNFFB-UHFFFAOYSA-N 432.306 6.459 30 40 IKEB O=C(O)c1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 408825771 FVNXOGWTEWWFHA-INCSMEFSSA-N 428.513 5.058 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2C2CCCCC2)cc1 408913672 RDIUPUOXAONPBS-AJGXWLHTSA-N 426.585 7.085 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OC 408963406 ZGWCTHCAGRUIPM-MBNTZHJCSA-N 434.920 5.557 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1Cl 409015644 SUZGSTXBBDYAFK-LOXJRQKSSA-N 428.985 6.368 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 409207950 DGAUSFDERIFFID-JFLMPSFJSA-N 444.358 7.120 30 40 IKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccccc1C#N 665912 UQZMUUKUXWTSFO-UHFFFAOYSA-N 443.886 5.652 30 40 IKEB COC(=O)c1ccc(/N=C2\S/C(=C\c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 2240418 WEVCKVMWAVHJNI-KPWFMKORSA-N 438.549 5.147 30 40 IKEB O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl 3063940 DBETYSVULBSNSH-QLYXXIJNSA-N 445.733 6.115 30 40 IKEB N#CCCN(C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2)c1ccccc1 6190266 UQCAEUADGDICBS-UHFFFAOYSA-N 442.544 5.131 30 40 IKEB COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 8888219 NSHLIMBWNHJGRP-FLUWZFHISA-N 441.861 5.992 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 9067904 CCIVEXPTYGLIBW-AREMUKBSSA-N 432.564 6.116 30 40 IKEB biogenic COc1ccc(C/C(=N\Nc2ccnc3cc(Cl)ccc23)c2ccc(OC)cc2)cc1 13134331 WUFHJUDJNIZOOS-RMLRFSFXSA-N 431.923 5.964 30 40 IKEB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N/Nc1c(Cl)cccc1Cl 17107678 RMSMBWQZZQVPFL-IEZHFZQESA-N 444.233 8.752 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 19228270 QBOSISZOBXFSHM-XMMPIXPASA-N 431.532 5.043 30 40 IKEB N#Cc1c(N)nc2c(C#N)c(Nc3ccccc3)sc2c1-c1ccc(Br)cc1 19798022 QFUTXJXIJKYUDU-UHFFFAOYSA-N 446.333 5.795 30 40 IKEB COc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 32984368 BFYIEEFXHHAUOS-UHFFFAOYSA-N 437.492 5.101 30 40 IKEB CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c12)CC(C)(C)CO3 39321599 GJBMAPKEODCTLC-AFUMVMLFSA-N 438.549 5.797 30 40 IKEB C[C@H]1CCCC/C1=N\Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 102983133 XILSPTHKPGEFQZ-NGFMMCKOSA-N 436.921 5.027 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226340952 OCKRZJOSCKBTJX-VMPITWQZSA-N 425.681 5.563 30 40 IKEB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]12C 263611966 XRLBQELEYBVDHJ-QWYKUYJLSA-N 444.612 5.265 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccc(C#N)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 408567926 QOJSSLIPBZVEME-OCSSWDANSA-N 433.467 6.125 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2CCc2ccccc2)cc1 408910790 HYQGLPKTOUFJBR-YWQSIKCOSA-N 448.975 6.201 30 40 IKEB O=C(O)COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 408992051 ZIVJSACHUUSPNK-KWZOLKRCSA-N 436.533 5.087 30 40 IKEB C=CCOc1cccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)c1 409024335 QRMASWLBHFAAOH-MOSHPQCFSA-N 443.421 5.147 30 40 IKEB O/N=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc12 409041526 JWTORVUUFFXOCS-UFFVCSGVSA-N 435.115 5.752 30 40 IKEB CCOc1cc(OCC)c(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409103267 GGFVMYSKKNLYDA-NUGSKGIGSA-N 432.240 5.106 30 40 IKEB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N/c2sc3c(c2C#N)CCCC3)cc1 409109814 LYNKQQFFSXFLGC-AFUMVMLFSA-N 433.558 6.617 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409118494 QPAVUGCBNSIFQQ-UHFFFAOYSA-N 432.520 6.140 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccc(F)cc1 409137961 ZYZKGFROUYNVCR-UHFFFAOYSA-N 439.958 7.106 30 40 IKEB CCOc1ccc(/N=C2/S[C@H](Cc3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 409144430 YMCPOVCJAKYXIM-GJQPQMNHSA-N 442.581 5.077 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409210770 GRGIXVZDNDWBKL-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1 409212454 MJSZWRQFOJLMMY-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)cc1 409316180 LHEAMLZWTCHMSQ-HNNXBMFYSA-N 442.357 5.342 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Br)Nc1ccccc1N2 709506 ASSBIDWZDQGTAA-SSOJOUAXSA-N 445.360 6.429 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 811225 ZYVPCBFLZWXWBQ-RLWLMLJZSA-N 444.575 5.066 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccc([N+](=O)[O-])cc1 1079486 UOYPBBMXWYNOKZ-INIZCTEOSA-N 426.419 5.037 30 40 IKEB CCCCCCCCCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21 2317441 YJLAKZVECHTKAH-UHFFFAOYSA-N 446.551 5.586 30 40 IKEB CCc1cc2c(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)ncnc2s1 2639368 GLQPXVPRCCSIAR-NSHDSACASA-N 428.608 5.042 30 40 IKEB CCOC(=O)c1cc(C#N)c(Sc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 3104573 VYOPDHXBVIFMAH-UHFFFAOYSA-N 428.435 5.967 30 40 IKEB O=C1/C(=C/c2cccc(F)c2)S/C(=N\c2cccc3ccccc23)N1C[C@H]1CCCO1 3306434 PUHJTEZAQSLHBG-PPIFARMHSA-N 432.520 5.762 30 40 IKEB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1Br)c1ccc(Cl)cc1 8400313 GGBBMSWLFJOFMQ-SDNWHVSQSA-N 441.708 6.218 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 8915870 WYFIMJBZABAQJN-WAMJVRJTSA-N 437.568 6.323 30 40 IKEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 9007963 AWHNIOPWOJZCQF-JOCHJYFZSA-N 446.890 5.083 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C 9333841 DTIKOKWTKCGQDW-NRFANRHFSA-N 446.572 5.840 30 40 IKEB COc1ccc(-c2cc(-c3cc4ccc(C)c(C)c4nc3Cl)c(C#N)c(N)n2)cc1OC 18203803 TXZNWQYSEJIUQY-UHFFFAOYSA-N 444.922 5.705 30 40 IKEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2cccc(C(F)(F)F)c2)c1=O 28537129 NWKIQXYWSHMFCM-UHFFFAOYSA-N 436.434 5.018 30 40 IKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)cc1C 33027090 ROWCCQQMNMVLCZ-UHFFFAOYSA-N 443.459 5.343 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)cc1Cl 33636092 PKTLUNLTNVJDDF-UHFFFAOYSA-N 440.783 6.296 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1ccc(C)cc1 36020649 MHGKBTNHGIWNDF-UHFFFAOYSA-N 427.548 5.758 30 40 IKEB CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(O)CC2)CC1 52509459 WPMJNLCLKAKMLA-UHFFFAOYSA-N 445.625 5.307 30 40 IKEB in-vitro CCCCCCCCCCCCNc1cc(NCCCCCCCCCCCC)ncn1 68562417 UQJRDRLJXLQSCC-UHFFFAOYSA-N 446.768 9.142 30 40 IKEB biogenic O=C1CCc2cc(C(=O)COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)cc2N1 69351659 HUPZVTKHYISIMX-UHFFFAOYSA-N 435.295 5.010 30 40 IKEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)C1 100003718 QUYQBEJRYLGLOV-LJQANCHMSA-N 447.915 5.107 30 40 IKEB CCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)S/C1=N\c1cccc2ccccc12 105789413 MPRHKGIDUIXRRP-BUXPZJOUSA-N 441.383 7.161 30 40 IKEB CCCCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cccc1OC 408912257 PPMOZNPMJWTVQQ-RZZGQMAMSA-N 438.593 6.197 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@@H](C)CC)c(OC)c3)S2)cc1 408951170 HYOWNCMUDNPXIE-HBBMIWKISA-N 426.538 5.163 30 40 IKEB CCN1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccc(Br)c(Cl)c1 409008858 NFPZFCUIAQMMNT-MXOJYHIHSA-N 427.776 5.788 30 40 IKEB O=[N+]([O-])c1cccnc1N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409064107 GFQGFAHJZQXNDA-OPEKNORGSA-N 440.290 5.746 30 40 IKEB COc1cccc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c1OCc1ccc(C(=O)O)cc1 409187423 QEPIIVLHAKCNQL-ROTLSHHCSA-N 439.851 5.075 30 40 IKEB Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)cc1Cl 409215655 CYPCRIICLUWHQH-WGOQTCKBSA-N 435.932 6.320 30 40 IKEB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=Nc2cccc(Cl)c2C)NC1=O 409233173 RMNZZZVMYZYFLL-KGENOOAVSA-N 425.985 5.839 30 40 IKEB CC[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409288178 DNWLKTAUHRBMBF-LBPRGKRZSA-N 448.748 5.180 30 40 IKEB C=CCc1cc(/C=C2/Sc3ccccc3C2=O)cc(OCC)c1OCc1ccccc1 409334781 MZIIVMVXPZTGKP-KOEQRZSOSA-N 428.553 6.722 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2ccccc2n1 816366 NYYUMKZGTCIDAU-UHFFFAOYSA-N 435.940 5.064 30 40 IKEB N#Cc1c(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCCC2 2055727 URASCPXDCZNQTG-UVHMKAGCSA-N 441.383 7.135 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1C 2355494 GFCJMTFRPJKUQA-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3c(Cl)cccc3Cl)c2C#N)C1 2750880 AEFNJFRNTLIMGK-WTNCMQEWSA-N 433.404 6.729 30 40 IKEB O=C(c1cc(Br)ccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cc2ccccc2o1 3219112 QHMHFCVYDZWXGM-RPWUZVMVSA-N 449.300 6.097 30 40 IKEB biogenic CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 4067282 OUFAUOJWDOVOML-RUZDIDTESA-N 445.559 5.221 30 40 IKEB CC1C/C(=C/c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1 6172517 KMSIGDDMAIEECU-ICFDZUSXSA-N 446.182 6.678 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9358681 UXTPZGVLHFSGCQ-FQEVSTJZSA-N 442.273 5.915 30 40 IKEB Cn1cc(/C=C2\S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c2ccccc21 13804167 ICRDPCTXTPJWDN-IUXPMGMMSA-N 435.858 5.742 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 15973383 SVTAXIKJBLEKHE-GBXCKJPGSA-N 433.511 5.124 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 16035549 HHZWEWRVUSDVMJ-UHFFFAOYSA-N 431.557 5.652 30 40 IKEB N#C[C@@H](N=C(c1ccccc1)c1ccccc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 16451211 LVIHSCNQUPCKOS-IXCJQBJRSA-N 435.958 6.923 30 40 IKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1OC 58884056 YBPXLIXYZIDQKR-JCMHNJIXSA-N 447.531 5.261 30 40 IKEB CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cc(OC)ccc2OC)cc1 66088144 HNGKGWBBXQVTMR-XMMPIXPASA-N 443.499 5.049 30 40 IKEB CCCCCCCCCCCCS[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 100932955 NJFWYAAGQUJNNQ-HXUWFJFHSA-N 444.468 7.279 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 101081409 XQEHCVCZTGGBMR-RVIYGNEXSA-N 437.348 5.722 30 40 IKEB CCCCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 103754854 CRPRXIIGNMIIAZ-HPNDGRJYSA-N 438.571 6.870 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)N(CCO)C(=O)C[n+]1ccccc1 104367624 VCRLVSKAHURRGU-UHFFFAOYSA-N 447.684 5.583 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1cccc(C)c1 104380091 JWEMYCAGTVOBFN-RMLRFSFXSA-N 445.761 8.055 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c([N+](=O)[O-])c1 408566421 GHHVAKGLOLJQCL-WYMPLXKRSA-N 449.854 5.605 30 40 IKEB Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408590854 IMPWYQQZIIMTJW-IPPBACCNSA-N 448.353 6.727 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 408596460 ZLMVJSQGJZWTRT-BRJLIKDPSA-N 444.846 5.526 30 40 IKEB Cc1cc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)c(C)c([N+](=O)[O-])c1 408721081 KFPQHUZHECKWRA-AFUMVMLFSA-N 426.432 6.130 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C1=O)OCO2 408870163 SBEOMOYNNLSJGH-BXUQSFJZSA-N 434.561 5.906 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 408912534 NLRNUHJEDXKDQX-FUQOYWQNSA-N 442.584 6.899 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)OC)c3)c2C)c1 408965412 HBVXHQMCQPRJPX-VULFUBBASA-N 438.911 5.461 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccc(Cl)cc1 409015801 BLCMYJAKWFTZKD-MJBUPYINSA-N 426.900 6.363 30 40 IKEB Cc1cccc(Cn2cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c3ccccc32)c1 409201342 LQTLXIVVQLHJQI-JAYUVETPSA-N 431.605 6.087 30 40 IKEB CC[C@@H](C)Oc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cccc1OC 1531383015 VATFIZQQWKPUHP-OVKKOYPGSA-N 427.504 5.132 30 40 IKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 3337553 UOEYTWNESUDJNZ-UHFFFAOYSA-N 434.392 6.205 30 40 IKEB CC/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC 12402013 FXLCHAHQBTVRRJ-LISDSOCTSA-N 444.984 5.630 30 40 IKEB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 12604540 ASHLEVLTHOHXEG-XMMPIXPASA-N 444.554 5.586 30 40 IKEB COc1ccc2c(-c3ccccc3)cc(SCC(=O)Nc3cccc(C#N)c3)nc2c1 13018103 PSEHVWIHWOIYQN-UHFFFAOYSA-N 425.513 5.513 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N\c3cc(Cl)ccc3C)NC2=O)cc(OCC)c1O 17167005 DOXZLRUSQVIDQR-ODLFYWEKSA-N 428.941 5.373 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 19643786 LYBMJVAFISFUSN-FNZWTVRRSA-N 445.559 5.256 30 40 IKEB Clc1ccc(/C=N\Nc2nnc(N/N=C\c3ccc(Cl)cc3)c3ccccc23)cc1 31670029 MFKLZVQXLMLDEA-WFBNZKAHSA-N 435.318 5.829 30 40 IKEB COc1cccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3cccc(OC)c3)C2=O)c1 33410715 AIQWHIYOLDHKFR-MQDDAKQZSA-N 425.528 5.256 30 40 IKEB COc1ccc2[nH]c3c(=O)n(/N=C\[C@H]4CC=C(CCC=C(C)C)C[C@@H]4C)c(O)nc3c2c1 33697572 ZTMKRAFIEVYSGH-ZNCGIYPRSA-N 434.540 5.145 30 40 IKEB O=[N+]([O-])c1ccc(Oc2cccc(/C=N/Nc3nc4ccccc4s3)c2)c([N+](=O)[O-])c1 59514294 HDCJWEHABPPKOL-CIAFOILYSA-N 435.421 5.351 30 40 IKEB COc1cccc(/C=C2/S/C(=N/c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC 100235009 QXCHNEVRCWRNJA-NEWZVLFWSA-N 444.556 5.816 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc2ncccc2c1 100505609 YWYFFSBCNNTBCW-LOIXAWJCSA-N 444.585 5.785 30 40 IKEB C=C1CC[C@]2(C)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 238774071 HUTYZQWCTWWXND-NCTFTGAASA-N 440.712 6.916 30 40 IKEB biogenic,in-vitro Clc1ccccc1Oc1ccc(/N=C/c2ccccc2I)cc1 408552414 TWIRKQXRQAABOH-LPYMAVHISA-N 433.676 6.488 30 40 IKEB COc1cccc2c(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(-c3ccccc3)[nH]c12 408841736 KJYTVQZATFBEIM-QRVIBDJDSA-N 431.408 5.106 30 40 IKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)ccc1OC 408938302 PZYCHQHCNDJMLI-JEAXXKEWSA-N 438.571 6.979 30 40 IKEB COc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1ccc(Cl)cc1 408977780 FODBUJGGLMRHCO-UHFFFAOYSA-N 441.918 6.110 30 40 IKEB COc1cccc(/C=N/c2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)c1OC 409046749 LWGYBAJLWRDSPF-LSHDLFTRSA-N 445.338 5.253 30 40 IKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1cccc2ccccc12 409109467 FNIBQVKMTGRJFY-UHFFFAOYSA-N 439.555 6.777 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1C 409199150 BIXCHQJRQIOMDT-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)S/C1=N/c1ccc(OC)cc1 409231509 KWLLAFPBKHGEGV-DIRPYQRSSA-N 437.952 5.763 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC 409342073 BHXZESKEOZIMQJ-UYRXBGFRSA-N 445.993 6.018 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(CC=C)C2=O)cc(OC)c1OCc1ccccc1 409345560 JGWMSGJPXOXTJE-RCCKNPSSSA-N 437.586 5.390 30 40 IKEB COc1cc(/C=N\c2ccc(Br)cc2C)ccc1OCc1ccc(C(=O)O)o1 409386615 VTHACJSPVOMUQH-KSEXSDGBSA-N 444.281 5.387 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 792612 TZQLJEPCNXUWFA-LVXARBLLSA-N 442.559 5.319 30 40 IKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1/N=C/N1CCCCC1 2232217 ZFCLZSIVKUHBIF-MWAVMZGNSA-N 434.543 6.481 30 40 IKEB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1 2804514 MAKMLIKPFOARDP-UHFFFAOYSA-N 441.560 5.316 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc3ccccc3c2)cc1)c1sc2ccccc2c1Cl 2900966 LDPJQPXVPRRCLN-LQKURTRISA-N 441.939 7.678 30 40 IKEB N#Cc1c(Cl)nc(Nc2ccccc2SCCC(F)(F)F)c(Cl)c1Cl 3764162 NQKPLYAVVIGBRF-UHFFFAOYSA-N 426.678 6.702 30 40 IKEB C=CCn1c(S[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)nnc1C1CCCCC1 7734407 SSJKZCDEZIXVFN-OAHLLOKOSA-N 425.558 5.424 30 40 IKEB COc1cc(OC)c(NC(=O)O/N=C(/c2ccccc2)[C@H](O)c2ccccc2)cc1Cl 8648949 ATRLTKZSJCYHPY-GRKCXVTJSA-N 440.883 5.044 30 40 IKEB O=C(/C=C\c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 8733365 XXGSRDUICMHAEF-JYRVWZFOSA-N 433.312 5.657 30 40 IKEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8821128 DONUZBMWKFLWLE-HYARGMPZSA-N 441.468 5.900 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 9359941 IXRMAEKRFREINH-FQEVSTJZSA-N 448.475 5.374 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccc(OC)cc1 9500130 GCLOHTQTTGDKKA-KRWDZBQOSA-N 436.581 5.384 30 40 IKEB COc1ccccc1CN1Cc2cc3ccc(C)c(C)c3nc2S/C1=N/C[C@H]1CCCO1 13562162 SYLXODUELMHFDE-PLFNIDSXSA-N 447.604 5.503 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 14163672 PMCSJVLUTVSTSD-ODCWNRFASA-N 429.520 5.144 30 40 IKEB Fc1ccccc1COc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2s1 15228169 KNEUQBUYLQHHTB-JFLMPSFJSA-N 427.504 6.614 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1O 16688207 RGSCKZKPPSMLRB-BRJLIKDPSA-N 443.355 7.125 30 40 IKEB C=CCn1c(SCc2ccc(Br)cc2)nc2c([nH]c3ccccc32)c1=O 16890316 XBRRWPXJQPVKAB-UHFFFAOYSA-N 426.339 5.119 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)C1 17097666 SIFVSQONMQLNAV-OAHLLOKOSA-N 431.586 5.538 30 40 IKEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)c1c([nH]n(-c3ccccc3)c1=O)N2 18195706 BTSCACKNJHAWSW-QGZVFWFLSA-N 426.303 5.037 30 40 IKEB N#CCCn1cc(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 58173617 MISHNZJBHMZFAD-UHFFFAOYSA-N 428.561 5.227 30 40 IKEB CC[C@@H](C)Oc1c(Br)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408587915 AOUCWMSWIWWPMY-SRRANQMSSA-N 437.290 5.094 30 40 IKEB CCCCCOc1c(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cccc1OC 408906910 FBLNNDRUGJMZHH-RZZGQMAMSA-N 438.593 6.277 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)N2C)cc1 408912364 PZAJBXZQKXEWRF-FTIPTLOASA-N 430.371 5.057 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC 408944768 VASXXQAHMWZQSS-QFCIWXFXSA-N 444.962 6.934 30 40 IKEB COc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)OCO2 409067781 REUSNFJSOFWEQS-HTQRFZLASA-N 430.485 5.233 30 40 IKEB C=CCOc1c(I)cc(CNc2ccc(C)c(C)c2)cc1OCC 409112415 GIJDMTPICMITEH-UHFFFAOYSA-N 437.321 5.484 30 40 IKEB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O 409201282 LFDCSMZUWMBRPU-BKUYFWCQSA-N 440.952 6.017 30 40 IKEB CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl 409247212 GVPXTAQLCNSWMI-CXUHLZMHSA-N 441.767 6.246 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3244959 DSERIKSIZMCJCM-HHHXNRCGSA-N 449.531 6.490 30 40 IKEB S=C(N/N=C\c1ccc(Cl)cc1Cl)Nc1cccc2cc3ccccc3nc12 4707251 RZWAHWAHRUIFCP-MSXFZWOLSA-N 425.344 6.015 30 40 IKEB COCCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)S/C1=N\c1ccccc1 8400414 LPEWYPMWXQNSGF-JTUXUYRKSA-N 448.544 5.107 30 40 IKEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 8991370 AAYATBYIDSOIQZ-AFPJDJCSSA-N 441.266 5.917 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@@H]2c1ccco1 9556393 PKBRESAPLDCYQM-RPBOFIJWSA-N 440.499 5.765 30 40 IKEB COc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1OCc1ccccc1 12566427 ODFSYYMDRFEUAE-BSFXODIDSA-N 448.522 5.980 30 40 IKEB COc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)ccc1OCCC(C)C 12625677 CPGSPRFKDLBXDQ-YQGJJVGPSA-N 428.532 5.826 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1OC 13567881 ZFKGWGKDJKCOPG-HNNXBMFYSA-N 445.437 5.250 30 40 IKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1ccc(Cl)cc1Cl 17101968 AMIUUJYTQBRGGW-ZAMGYDSWSA-N 438.358 6.433 30 40 IKEB C=CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1nc2c(s1)CCCC2 29077100 HSHZCHWXICKEQJ-UHFFFAOYSA-N 430.533 5.366 30 40 IKEB CC1N(/N=C\c2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1/N=C\c1ccccc1 31960867 ZFJQYECGRCXXIO-SRJGQVFNSA-N 444.582 6.501 30 40 IKEB Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccc(F)c(Cl)c1 97165262 YQTDELXGHMYGQY-NTUHNPAUSA-N 436.313 7.552 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2)cc1 97961221 DUORJTVBVQJQNS-SICUDWHYSA-N 448.691 8.874 30 40 IKEB biogenic COc1ccc(/N=C(\C)c2c(-c3ccccc3)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 101161158 LQDRZVCGGXNGSL-WGOQTCKBSA-N 440.528 5.592 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 102800576 XZQOAGHGJHTIHM-NHFXJNLRSA-N 448.475 5.217 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc21 223516739 NLHNRRKDLYCQPT-ZCTHSVRISA-N 438.615 8.257 30 40 IKEB C=CCOc1c(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cccc1OC 408528374 FYLYFYJVFDDZGI-ZDLGFXPLSA-N 433.888 5.289 30 40 IKEB Cc1ccccc1Cn1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 408565790 AMXYGOIBQUNPON-ZMOGYAJESA-N 429.436 5.260 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)c(C)c1 408576519 VLNCTEOHOAJKQO-UHFFFAOYSA-N 445.902 5.437 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408884391 UHHVJWXDZIKZMG-VPSQUZRUSA-N 432.589 6.434 30 40 IKEB CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c2ccccc21 408908508 ADUGCEYUIVXYTL-FUQOYWQNSA-N 443.616 6.906 30 40 IKEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccccc1 408930970 FMRKTAZCSLKDHA-WPWMEQJKSA-N 436.939 5.515 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c1C 408960837 OPEBZDLOUBELJS-IWIPYMOSSA-N 443.616 6.473 30 40 IKEB C#CCOc1c(CC=C)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC 408961856 ORIQHZQEAHPNOC-CJLVFECKSA-N 432.545 5.026 30 40 IKEB Cc1cccc(Cn2cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)c1 409033898 GJAABMZHIUSWKG-LGUSAWBASA-N 431.355 5.712 30 40 IKEB CCOc1cc(Br)c(Br)c(/C=N/c2cc(C)cc(C)c2O)c1O 1230592 WHZZZPKHFCEJMW-DNTJNYDQSA-N 443.135 5.389 30 40 IKEB C=CCn1c(SCc2cccc3ccccc23)nc2scc(-c3ccccc3)c2c1=O 1746454 TURGZWLOPUYJMP-UHFFFAOYSA-N 440.593 6.757 30 40 IKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O 2135464 KYAGIFOYOBVIJX-PSHHWHLWSA-N 428.415 5.368 30 40 IKEB biogenic CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccccc1)OCCCO4 5353907 VRSUVUBTXIPLIS-OAQYLSRUSA-N 427.544 5.488 30 40 IKEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1 6177753 QAVGOCZZKVGYNY-BUBBNXEVSA-N 437.531 5.094 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1 11991787 NRDZMCPAUOOMIA-CVKSISIWSA-N 429.545 6.152 30 40 IKEB O=C1CCCC2=C1[C@H](c1cccc(OCc3ccccc3)c1)c1cc3c(cc1N2)OCO3 18196829 METSHPXHVXMWDW-AREMUKBSSA-N 425.484 5.559 30 40 IKEB C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1[C@H](C)Oc1ccccc1Cl 19648420 JPIXIAMXHWIBGF-INIZCTEOSA-N 449.020 5.189 30 40 IKEB CCCn1c(SCCC(=O)Nc2ccccc2C#N)nc2ccc(C(F)(F)F)cc21 24758748 QFVYUICUVLHUEU-UHFFFAOYSA-N 432.471 5.458 30 40 IKEB CCOc1ccc(C(=O)/C(=C/c2ccc(OCC)c(OC)c2)c2nc3ccccc3o2)cc1 27017201 CNBPTNLKEVJVCM-PGMHBOJBSA-N 443.499 6.057 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3Cl)c2C#N)C1 32124875 JIIVZYUDZPXBKM-CYBMUJFWSA-N 430.957 5.220 30 40 IKEB COc1ccc(-c2nc(/N=C/c3cccc(OC)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463755 YSVLCLIDOCKRDX-MFKUBSTISA-N 445.500 6.153 30 40 IKEB Clc1cc(/N=C/c2cc(Br)c(N3CCCC3)o2)ccc1Br 59679328 QEELJYMXZCMSBB-DJKKODMXSA-N 432.543 5.809 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3C)c(C)c2s1 72228836 KFOSDEDQPLKYFD-WGARJPEWSA-N 444.988 6.090 30 40 IKEB C=CCNc1oc(Cc2cccc3ccccc23)nc1P(=O)(OCCC)OCCC 80345690 GKKGPBOOPVZUSH-UHFFFAOYSA-N 428.469 5.688 30 40 IKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1-c1ccccc1)C2=O 253536410 PSHMDRHQJHJFAC-ZVIIZDDGSA-N 442.603 5.758 30 40 IKEB CC(C)N1c2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc2[C@H](C)CC1(C)C 260573701 ZJIFWAVWIIPXFY-NXUSMQHESA-N 437.584 6.218 30 40 IKEB C=CCOc1cccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 408786697 UUTPKGZMCZBIEM-VEILYXNESA-N 430.573 5.872 30 40 IKEB CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408849792 ZFIRLZOYAJAHLQ-NGIOUVRZSA-N 434.605 6.657 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 408858739 OYQHCLJXGGFOEW-ZLTVRPSUSA-N 432.633 7.167 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N\c1ccccc1 408881187 KEHGQGIJJVWENF-MHLZIDLISA-N 431.561 5.772 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1OC(C)C 408963482 ZRQXRYRUYGROAM-WOJGMQOQSA-N 434.920 5.557 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 409207903 CJLIXYRHFRKWEP-HZHRSRAPSA-N 444.350 5.530 30 40 IKEB Fc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 409213562 SEHZEWPUKNXOPT-UZWMFBFFSA-N 447.509 8.101 30 40 IKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1 409218468 VKKOSVKNQIEETK-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2O)cc1C(C)C 409283072 QIFCOVSWEQLWCU-UHFFFAOYSA-N 427.504 5.092 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(F)c2)cc1C(C)C 409303912 IMGJVSJDWDWXFA-UHFFFAOYSA-N 429.495 5.525 30 40 IKEB Cc1sc(NC(=O)c2cccc(I)c2)c(C#N)c1-c1ccccc1 680095 FUPDSMKFZLJHPQ-UHFFFAOYSA-N 444.297 5.452 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 1077009 QEBMURGLDOWRRC-LFVRLGFBSA-N 441.383 7.034 30 40 IKEB CCCCCCCC(=O)NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1738130 NTJKHOOIWJRPBH-QINSGFPZSA-N 441.416 5.042 30 40 IKEB Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccc3ccccc3c2)c1O 2837318 YTSUMXOIMUKITQ-UXHLAJHPSA-N 430.507 7.010 30 40 IKEB CCCc1sc(N/N=C/c2ccc(N(C)C)cc2)nc1-c1ccc(Br)cc1 6078139 PKRGGYVRUTYMFD-OEAKJJBVSA-N 443.414 6.037 30 40 IKEB FC(F)(F)c1cnc(N/N=C/c2ccc(OCc3nnsc3Cl)cc2)c(Cl)c1 8887931 QTMXIHCTCMECSH-TXNBCWFRSA-N 448.257 5.284 30 40 IKEB O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccccc1OCc1ccc(F)cc1 8888415 CSLSVKAZZYYXMI-KKMKTNMSSA-N 446.305 6.487 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4cccs4)ccc3C1=O)cn2C 8993441 HNTITLSLSRARKI-UFFVCSGVSA-N 431.469 5.084 30 40 IKEB COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Nc1ccccc1 9264191 IMPPQCOCGDBYKU-SANMLTNESA-N 439.515 5.908 30 40 IKEB COc1cccc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccccc2)c1 9403865 ZKRXCXAJEMGWMQ-UHFFFAOYSA-O 432.352 5.340 30 40 IKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2cccc(Oc3ccccc3)c2)cc1 12465166 SDATYLAYECXQEA-ONUIUJJFSA-N 428.561 6.580 30 40 IKEB Clc1cc(Cl)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1 12500186 PTMJEOHKDJNXIF-LGJNPRDNSA-N 441.749 6.946 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1 15135280 YZYMSUGUDVWGKE-DHRITJCHSA-N 425.400 5.718 30 40 IKEB CC/N=C1/S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC 18255051 VZESTVTXFIMOOI-ROIOHNFESA-N 438.622 5.218 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 33642669 JAAXZVVNTVTQDX-OYKKKHCWSA-N 425.872 5.672 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)c(Cl)c2)/C1=C(\O)c1cccs1 102802893 LIPAXNJFABKUHE-GHNGSUTGSA-N 445.327 5.072 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 408534214 UFTISSHQTLPRRU-HMAPJEAMSA-N 445.500 5.374 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)c1 408740483 KYORPCBQORNNPK-ZVHZXABRSA-N 429.589 6.219 30 40 IKEB CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C 408783395 OOXMVWVYMQZTSX-ZVHZXABRSA-N 442.344 6.320 30 40 IKEB Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408848671 SFJYGSXQWDXCPN-OGLMXYFKSA-N 443.934 6.618 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)ccc1OCC(C)C 408906421 BKMFMTHSHZPTFX-HUOZHCEOSA-N 438.593 6.052 30 40 IKEB CC(C)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccccc1 408911683 NSWWSNAESDJDCY-NFEGURHZSA-N 433.489 5.867 30 40 IKEB COc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1OCc1ccc(Cl)cc1 409078362 BTYNEGIUAVZOJC-MZJWZYIUSA-N 436.964 6.490 30 40 IKEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 409102711 ZIWPUFALHXAIAC-BRJLIKDPSA-N 444.850 5.206 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(Cl)c1 409116028 LDXZLWVXGFYOED-UHFFFAOYSA-N 443.566 5.798 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 409116138 LTSPPKUQPHDLOY-BHGWPJFGSA-N 433.342 5.106 30 40 IKEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1Cc1ccccc1 409407850 VOXDKDRLQLSEDO-UHFFFAOYSA-N 432.527 5.412 30 40 IKEB Cn1cc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)c2cc(F)ccc21 585294408 DZHXVAYLCUYSJD-QFIPXVFZSA-N 446.555 5.511 30 40 IKEB N#C[C@H]1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 1722478 TWDUEZCBTVNBEI-MBYALERHSA-N 437.542 6.600 30 40 IKEB CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 3659774 HGNPWTPPIXHBOA-UHFFFAOYSA-N 441.527 5.866 30 40 IKEB CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccc(C(C)(C)C)cc2)c1C#N 6089419 DMYMRBNDCHJZLP-GOSISDBHSA-N 444.600 6.628 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1O 8435550 CFKLCGMKDSMTPD-WYMPLXKRSA-N 437.839 5.911 30 40 IKEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccc(N(CC)CC)cc3)C(=O)N=C2S1 8450616 ZCZZIURTVXSTSD-QTQSCGLDSA-N 425.602 5.512 30 40 IKEB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl 8811989 LCNDCHSQGUHDPC-OCSSWDANSA-N 425.919 6.068 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 9008751 XTXKQCXRYHKGAZ-LJQANCHMSA-N 438.936 5.505 30 40 IKEB CCCC/N=C1\S/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N1CCCC 12275038 KAYHXJOIFNTLKB-DZNDYGJHSA-N 436.621 6.447 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC)C1=O 17097153 LXYQEMYXQSEUKH-UINIZAEWSA-N 430.573 6.561 30 40 IKEB Cc1cccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccccc3Cl)S2(=O)=O)c1 20132690 SEQQUBIYWOVZHE-HMAPJEAMSA-N 438.936 5.135 30 40 IKEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccc(C)cc3C)S2(=O)=O)cc1 20558810 YFIMCRXSVKJXEP-BUVRLJJBSA-N 432.545 5.098 30 40 IKEB N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2nc3ccccc3s2)sc2c1CCCC2 23936706 BZDWQMCXJSGQTG-GOSISDBHSA-N 436.606 5.274 30 40 IKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(NC(=S)NCC(C)C)cc1 28628952 DAWVRHVVVIQRLM-JFLMPSFJSA-N 425.989 5.667 30 40 IKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(OC)c2O)cc1OC 32115087 PKOXVAMRFBPMDM-WSDLNYQXSA-N 435.318 5.051 30 40 IKEB COc1ccc(C(=O)C2=CN(c3ccc(C)c(Cl)c3)c3ccccc3S2(=O)=O)cc1 32984214 NCINNRWJFCUKIU-UHFFFAOYSA-N 439.920 5.307 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1Cl 59194417 QSODRYIAYSHPQY-ZMOGYAJESA-N 437.908 5.624 30 40 IKEB Cc1cccc(/C=C/C(=O)c2c(-c3ccc(Cl)cc3)c3ccccc3n(C(C)C)c2=O)c1 95946348 PSBSCCSRGOWPKJ-LFIBNONCSA-N 441.958 7.107 30 40 IKEB COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 96766564 GBUSOKAPJFIHFR-RGEXLXHISA-N 447.918 5.579 30 40 IKEB Cc1ccc(/N=C2\SC(=S)N(CCC[N+](C)(C)C)\C2=N\c2ccc(C)cc2)cc1 104311338 GJIIXKFWGOIYRD-ZINFLPCDSA-N 425.647 5.494 30 40 IKEB Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccco2)cc1 105757780 VLVDAZOIXWWVEG-WTVYTQLBSA-N 447.560 5.365 30 40 IKEB CCCN1C(=O)/C(=C/c2ccccc2I)SC1=Nc1ccccc1 408549969 CGOYYCDLVIJCGH-FZECDQFNSA-N 448.329 5.305 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 408670094 HZFVVOWGXKLKDR-ZRZAMGCNSA-N 426.601 6.226 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1Cl 408784166 TUZQWUKXMXPVJL-DBSKITMISA-N 426.969 6.285 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(C#N)cc1 409173369 PPUUAVQHVWDKFE-FSJBWODESA-N 438.512 5.074 30 40 IKEB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc4c(c2)OCO4)C3)s1 676841 HTMLOCJJKALHQD-PUAOIOHZSA-N 430.529 5.765 30 40 IKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 2128142 FRBVDOPMDIZHET-IZVPMIMASA-N 444.870 5.883 30 40 IKEB biogenic CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 2320062 FIZRWWQVCBKOJZ-IPQBESIJSA-N 445.972 5.027 30 40 IKEB Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 3082729 ZZSHEWYVSIWKPP-WYMPLXKRSA-N 429.259 6.180 30 40 IKEB CC/N=C1/S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1CC 6077069 RMTUHCAVCPTPNJ-MKIITAJQSA-N 437.540 5.172 30 40 IKEB COc1ccc(/C=N/c2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1 8435128 IAVIUQBSFAIHJI-ZCTHSVRISA-N 448.953 7.981 30 40 IKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccc(Br)cc1 8448472 SWCCYSJRCOPABZ-UHFFFAOYSA-N 439.422 6.476 30 40 IKEB Cc1oc(/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)c(C#N)c1C 14134480 OWRWIJHVJZZFOC-RWPZCVJISA-N 438.487 6.501 30 40 IKEB CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(Cc3ccccc3)c2CO1 16578236 XTQNQRJARLZSQB-UHFFFAOYSA-N 446.934 5.310 30 40 IKEB N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(O)cc1 24674097 XZOTYCNGAVWDFP-CYYJNZCTSA-N 446.488 5.219 30 40 IKEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 27570832 HFMQGSNPACYRJH-KGENOOAVSA-N 433.891 5.786 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463746 CJMFPYQMSJXHDJ-AFUMVMLFSA-N 433.464 6.284 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 67207123 ULJWQYNIAHCUMX-FOKLQQMPSA-N 443.753 6.835 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 102804630 BIBJWBBIWYIXEY-NHFXJNLRSA-N 447.560 5.079 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 102931202 IYICTCVVUAHZNQ-YDJIHCHBSA-N 448.450 5.201 30 40 IKEB O=C(C[C@@H]1S/C(=N/C2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccccc1Cl 103886029 DWWBWNFSUIRQRR-XUKXGFMLSA-N 448.032 5.634 30 40 IKEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1C(F)(F)F 225954320 PZLOQWQZPGDLLO-UHFFFAOYSA-N 439.405 5.100 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)N1C 408913402 QNYVPXCHSNKYBW-QMSJJHEMSA-N 447.516 5.959 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)S2)c(C)c1 409072636 QWZZPBMRSXBDMU-XKZIYDEJSA-N 435.980 6.256 30 40 IKEB Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2C)cc1Cl 409201596 MWHMECMIHUQOGR-MUFRIFMGSA-N 442.946 6.878 30 40 IKEB C=CCc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(OCC)c1O 409293871 MDZRRTIUDWMUGJ-UHFFFAOYSA-N 431.536 5.159 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc3ccccc3n2)cc1OC 8687523 LZUZUJJQXOOJDA-OGLMXYFKSA-N 449.514 5.551 30 40 IKEB CCCOc1ccc(C(=O)/C(=C/c2cccc3ccccc23)c2nc3ccccc3o2)cc1 8741901 NOPUFJDAQHTPIL-PLRJNAJWSA-N 433.507 7.193 30 40 IKEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1 9969608 SYGILBHLEIZYAT-JOCHJYFZSA-N 449.890 5.276 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)c(OC)c1 13567921 VYFNSCABOXKJSB-KRWDZBQOSA-N 425.912 5.193 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 13569346 NJBKABMZUCSEPZ-FNZWTVRRSA-N 448.526 5.240 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 15304894 XDQOXXASCXHKPM-UHFFFAOYSA-N 442.511 5.280 30 40 IKEB COc1ccc(Br)c(/N=C\c2ccc3oc(-c4ccccc4F)nc3c2)c1O 16215700 ISDBIFXTCNASCH-MYKKPKGFSA-N 441.256 5.861 30 40 IKEB COc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1OC 16228182 LODFTWUBCBRYFR-MYYYXRDXSA-N 426.582 5.457 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)c(C)c1 83309682 YHRXWBRFGDEDGJ-XKZIYDEJSA-N 435.980 6.256 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\S/C(=N\Cc4cc(C)cc(C)c4)NC3=O)c2C)cc1 83309968 RSRZKZHJFFGQSI-OYKKKHCWSA-N 429.589 5.780 30 40 IKEB CC/C(=N\CCc1ccccc1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 102441336 PVUUIVVSEAHGHG-CVKSISIWSA-N 444.482 5.648 30 40 IKEB CC(C)(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccn2)cc1 104224666 LTLUXBLODOXHJH-HOGKFDNTSA-N 446.934 5.659 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl 108061773 MQHUCEOCKKVWKX-INIZCTEOSA-N 426.973 5.209 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)SC1=Nc1ccccc1 260569746 RRMWORPIGHMGPE-CFWUSGDISA-N 433.621 6.341 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccc(Cl)cc1 408702495 FLIZFGUQINFPRH-PZVJUEDKSA-N 439.939 5.133 30 40 IKEB Cc1c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1C 408863436 RTGAXBLSSKVTED-OVBYZCJRSA-N 443.616 6.669 30 40 IKEB Cc1cccc(Cn2cc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)c3ccccc32)c1 408896347 KOIBGEZNSMPEJX-UHFFFAOYSA-N 437.539 6.126 30 40 IKEB CCCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)S/C1=N\c1ccccc1 408910770 KSPBHTNGBXXFDQ-HFYOLELGSA-N 445.338 5.192 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1cccc(F)c1 409111964 AZRWAFHUUIUJLM-UHFFFAOYSA-N 425.931 6.716 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O)c(Cl)c3)cc12 409297155 SDLDIJNOQUZVFO-UHFFFAOYSA-N 445.862 5.060 30 40 IKEB COc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1Cl 409369926 HTVNUBZFGPKGHD-WGARJPEWSA-N 438.911 5.225 30 40 IKEB N#Cc1c(/N=C/c2cn(CCC(N)=O)c3ccccc23)oc(-c2ccco2)c1-c1ccco1 409388396 VAOLKPBZULTLIO-CCVNUDIWSA-N 438.443 5.252 30 40 IKEB COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 709477 UEXIRONLZCSIGY-XMMPIXPASA-N 430.504 5.267 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3F)C2)[C@@H]1c1ccc(C)cc1 1481047 MAZMYUIRJFIAFD-MMTVBGGISA-N 440.518 6.055 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCC 2066957 VMRRVSTVCGTUNH-HSZRJFAPSA-N 425.569 5.423 30 40 IKEB O=C(/C=C/O/C=C/C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 2557637 RJBDQJSLZXNNDS-WGDLNXRISA-N 436.099 5.321 30 40 IKEB CCN(CC)c1nc(NCc2ccccc2)nc(N/N=C/c2ccc(Cl)cc2Cl)n1 8427187 CKSWAVBXTMPXFF-AFUMVMLFSA-N 444.370 5.083 30 40 IKEB O=C(/C=C/c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 8430760 LVUSTTLJPLEOCA-VIOKTNGOSA-N 428.557 5.023 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 8811903 UUVBITJNJYBRCK-VULFUBBASA-N 429.347 6.095 30 40 IKEB CC/N=C1\S/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1CC 9261569 BXLOKLOYZVQNIJ-PIINERKHSA-N 439.584 6.155 30 40 IKEB COc1ccc2c(c1)c(/C=N/Nc1ncnc3scc(-c4ccccc4)c13)c(C)n2C 9293176 BNWBHBFIFIHSHO-KKMKTNMSSA-N 427.533 5.613 30 40 IKEB Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1 11859495 KDPFSKFPHBXNGJ-YYDJUVGSSA-N 433.554 5.354 30 40 IKEB C(=N/Nc1nncc2ccccc12)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 15347225 KYQMZYKPVKMVFR-LQKURTRISA-N 430.471 5.675 30 40 IKEB C=CCn1c(SCc2ncc(Cl)n2C)nc2scc(-c3cccs3)c2c1=O 15755090 DSYDMRVUTDWTPB-UHFFFAOYSA-N 434.999 5.052 30 40 IKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1O 16384307 HYDOAAOKRBPHHW-SRZZPIQSSA-N 438.709 5.457 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 17096131 KDADCVNRZKYSJN-FQEVSTJZSA-N 428.601 6.541 30 40 IKEB C/C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 19850197 HNMUYMVHDZBDQL-OOAXWGSJSA-N 448.408 5.580 30 40 IKEB COc1ccc(CN/N=C/c2c(C)n(Cc3ccc(C#N)cc3)c3ccccc23)cc1OC 20196653 KUYMQMMIXDGTPJ-OCSSWDANSA-N 438.531 5.011 30 40 IKEB O=C1/C(=C\c2ccc(F)c(F)c2)CN(Cc2ccccc2)C/C1=C/c1ccc(F)c(F)c1 35229438 PDYHCWPXGVXJJG-JTMCVSSMSA-N 437.436 5.795 30 40 IKEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN3CCCC3)n2)cc1 82087218 PZPACPLMPGQVLH-UHFFFAOYSA-N 435.515 5.616 30 40 IKEB CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cc(Cl)cc32)C(=O)C1 104804649 XVEXKKMPOJWWGN-SFHVURJKSA-N 435.347 5.687 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 170414907 FHJJNUQUONLMAD-HSZRJFAPSA-N 435.564 5.378 30 40 IKEB CCCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)S/C1=N\c1ccccc1 223497142 FHPBHLPESFAQSA-KKOPTWAASA-N 445.632 6.641 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@H](OCc5ccccc5)[C@@]4(C)CC[C@H]32)C1 245240802 TUEREPUZRGDETH-XERHMNLUSA-N 436.592 5.645 30 40 IKEB Cc1ccc(/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c(Br)c1 408544177 VLHYVBNPZAZERZ-MYKKPKGFSA-N 437.293 5.802 30 40 IKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408951870 VCEJQYYLIGEWPV-AUEPDCJTSA-N 432.263 5.758 30 40 IKEB CSc1ccccc1/N=C/c1cc(Br)cc(I)c1O 409104274 HDDJSBJWCHCDJT-CAOOACKPSA-N 448.123 5.232 30 40 IKEB N#Cc1c(/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)sc2c1CCCC2 409214771 ULRGUBZDJUAWEI-KBVAKVRCSA-N 445.591 7.405 30 40 IKEB CC[C@@H](C)Oc1ccc(Cl)cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409404322 PGOBIZYSNRHJOK-QGZVFWFLSA-N 431.923 5.776 30 40 IKEB CCc1ccc(-n2c(C)cc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2C)cc1 409405195 NETNEALFNSDDCZ-UHFFFAOYSA-N 446.554 5.916 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)c(Br)c1 585655921 VVQVMASNFFURGK-UFFVCSGVSA-N 430.129 5.049 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1-c1ccc(C)cc1 1531255091 YNYDUYQSPKZNDK-MFKUBSTISA-N 449.352 5.093 30 40 IKEB O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2Cl)ccc1Sc1ccccc1 3028599 BGRCEWDKKXUISS-FSJBWODESA-N 433.316 6.604 30 40 IKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c1 3212022 SBFYQLFRZBNFFU-UHFFFAOYSA-N 427.592 7.323 30 40 IKEB CCOC(=O)CC1=CS/C(=N/c2cc(C(F)(F)F)ccc2Cl)N(C(C)(C)C)N1 3326637 XYLHOJGYGPBDSJ-XQNSMLJCSA-N 435.899 5.493 30 40 IKEB CN(C)c1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 6077216 DRNJSODQIMEPOL-AREMUKBSSA-N 441.531 6.124 30 40 IKEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCCC1 8385080 HSUVZLRXKILBAM-OLRQPGBRSA-N 442.412 5.365 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1 8821219 ZRDLAWZWGXDWJA-XDHOZWIPSA-N 443.355 6.707 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 9019927 FUBHKXHBINXWTC-QFIPXVFZSA-N 433.891 5.440 30 40 IKEB C=CCn1c(C)cc(C(=O)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)c1C 9640296 YRACFEYJCJSFCC-UHFFFAOYSA-N 425.532 5.168 30 40 IKEB C=CCn1c(SCCOc2c(Cl)cccc2Cl)nnc1-c1ccccc1OC 9711733 JSVOHHVCVWAZFT-UHFFFAOYSA-N 436.364 5.618 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(C(=O)NC1CCCCC1)c1ccccc1N2 12652153 SQDBBVURPPOYFW-RUZDIDTESA-N 449.982 6.363 30 40 IKEB COc1ccc(CN(CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC 13510508 RRSOUPVPFREUEZ-JWZKTCGFSA-N 449.639 5.108 30 40 IKEB CC1C2=C(CC(C)(C)CC2=O)N(c2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 16608320 AGMPYWKPNKUDOD-UHFFFAOYSA-N 442.397 6.192 30 40 IKEB N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)s2)cc1 40140471 QZLAYNKWUAXCBM-KBPBESRZSA-N 426.489 5.009 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 59105711 FEFUJULDZLHDTF-LPYMAVHISA-N 429.476 5.168 30 40 IKEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)S2)c1 59302786 CKJHGTKZVJHXPV-UYRXBGFRSA-N 438.350 5.440 30 40 IKEB CCCCCCCCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@H](C(C)C)N12 100925077 ZZYUFMXUSJRQFB-FQEVSTJZSA-N 431.602 5.412 30 40 IKEB Cc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 102417610 XONFRYCWKCCEQZ-DHRITJCHSA-N 433.851 6.306 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1 408765321 XSNSVVBROHRNGD-STZFKDTASA-N 426.501 5.034 30 40 IKEB COc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2Cc2ccc(C(=O)O)cc2)cc1 408932403 WTKHGJVTHASSHC-GZAOZUBMSA-N 444.512 5.198 30 40 IKEB CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(OC)cc3)C2=O)c1C 409071023 PTBFPFDAJORJAZ-GCNWNYGFSA-N 445.588 5.938 30 40 IKEB Clc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409216895 PPBVRTOVFPDKMX-STBIYBPSSA-N 448.349 8.115 30 40 IKEB CC(C)Cc1ccc(CN2CCCC[C@H]2c2csc(Nc3ccc(C#N)nc3)n2)s1 585295062 YTZWJYKCTCEADQ-QFIPXVFZSA-N 437.638 6.141 30 40 IKEB O[C@@](C#CC[N+]1(Cc2ccccc2Cl)CCCCC1)(c1ccccc1)C1CCCCC1 1822676 AMIRLCXYJUPMMX-NDEPHWFRSA-N 437.047 6.312 30 40 IKEB C=CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2 2295073 YHNKXZRERRCDIW-UHFFFAOYSA-N 444.600 5.944 30 40 IKEB biogenic C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1ccc(C(C)(C)C)cc1 2625950 PIDJRZPLJUYSRV-UHFFFAOYSA-N 442.535 5.438 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)S/C1=N/c1ccccc1 8461758 KIDYNMCMMLZZCH-IZSQXYTLSA-N 449.488 5.487 30 40 IKEB CC(C)(C)c1ccc(CSc2nc(-c3ccc(Cl)cc3)c3c(c2C#N)CCCC3)cc1 8763297 HGVJYXRGTROLKY-UHFFFAOYSA-N 447.047 7.742 30 40 IKEB C=CCN(C(=O)CSc1nnc(-c2ccccc2)o1)c1nc(-c2ccccc2)cs1 8860914 WQDFFVMZEGCDPO-UHFFFAOYSA-N 434.546 5.171 30 40 IKEB Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2cc(Cl)ccc2Cl)c1O 9425510 OFKQHTSYZXGGPQ-CCVNUDIWSA-N 449.337 7.164 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 13805797 LNVXFKSXLVUJFA-UHFFFAOYSA-N 448.636 6.085 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1cccc2ccccc12 20761638 PPHBGLVWQRKJBO-RDRPBHBLSA-N 440.543 5.950 30 40 IKEB COc1cc(Cl)cc(/C=N/c2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1O 38162641 FUWIZIQEFATNDU-OPEKNORGSA-N 441.270 5.259 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)c3)nc2c1 38180023 FFPZZKBAGURHEH-IXORVSQSSA-N 445.475 6.381 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3cc(C)n(C)c3C)C(=O)N2c2ccc(CC)cc2)cc1 59104357 DZUJESVBVWKNDO-BLEOTABNSA-N 443.616 6.575 30 40 IKEB Cc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 100104385 VNGJYFKNDSQOMK-RUMWWMSVSA-N 446.981 8.524 30 40 IKEB CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@]1(C)OC(=O)C(O)=C1O 101109030 WIURPIWWJPTTRG-WZONZLPQSA-N 428.566 5.015 30 40 IKEB CCCCCCCCCCCCC#CC#CCCCCCCCCC#CBr 102131351 KDVQJQXDVRYPHZ-UHFFFAOYSA-N 433.518 8.781 30 40 IKEB CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118918727 LCHQKKCWNVVBHJ-LPCDCZLASA-N 441.656 5.552 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 408666974 ASWGQAXRIZTPOT-WNLYKICVSA-N 436.596 5.858 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 408764951 ULUZDTUXLSTLCS-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc3ncccc3c2)N(C)C1=O 408959857 HBZLMIHAUYKVFK-WNOHRPASSA-N 428.561 5.377 30 40 IKEB CCOc1cc(/C=N/n2c(S)nnc2-c2ccccc2)ccc1OCc1ccc(F)cc1 409059463 RIQGVVIQCAIZSL-CVKSISIWSA-N 448.523 5.233 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1ccc(F)cc1 409243623 ZDQZLWHDWNLUDS-HTEZIOAISA-N 437.452 5.618 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc4c3[C@H](CC(C)C)CC(=O)O4)C1=O)cn2C 1082732905 BOVLCVNHEUDVOJ-WPZNHYQYSA-N 431.488 5.242 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O 2177201 QSMHDNDAYHFFEK-XDHOZWIPSA-N 447.915 5.679 30 40 IKEB COc1ccc(CCNc2oc(COc3ccc(Cl)cc3Cl)nc2C#N)cc1OC 2439209 NJYYZCMFGGKILB-UHFFFAOYSA-N 448.306 5.104 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)c2C)c1C 2995160 QCDVQMAPZBDBHX-UVHMKAGCSA-N 430.577 5.243 30 40 IKEB Fc1ccc(Cn2cc(/C=N\Nc3c(F)c(F)c(F)c(F)c3F)c3ccccc32)cc1 9805730 KDDUXPHPIVFDND-JNNAGZRYSA-N 433.355 5.970 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 12641432 QZPOJIVWTYMZEB-LJQANCHMSA-N 443.446 5.858 30 40 IKEB COc1ccc(OCc2cc(/C=C/C(=O)c3ccc(-n4ccnc4)cc3)ccc2OC)cc1 13640485 IIYXLHHZHOMYDA-QLKAYGNNSA-N 440.499 5.365 30 40 IKEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 13758166 PBPZPECVMADTSF-WUKNDPDISA-N 446.554 5.628 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Cl)c2C#N)C1 17097781 WDWMOTDIBAVKKY-LBPRGKRZSA-N 432.014 5.551 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2 18087184 RATJMDPSPXRKRM-DEOSSOPVSA-N 430.548 5.246 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(OCc2ccccc2F)cc1 59418051 SBJSYQIACMMBBL-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB O=C(/C=C/Nc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 100401627 QGNAOXHJIRRLGN-ZHACJKMWSA-N 432.734 7.034 30 40 IKEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102929404 NOTJRJLLRHSPHC-AYWGPLOBSA-N 446.934 5.480 30 40 IKEB Clc1ccccc1C(=N\c1ccccc1)/C(=N/c1ccccc1)c1ccccc1Cl 104138545 FUDRBLXBROYOOS-XDHTVYJESA-N 429.350 7.935 30 40 IKEB CCC(C)(C)[C@@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc34)c(C#N)cc2C1 215673425 IPAFZAPWNDPTMC-LJQANCHMSA-N 444.604 5.773 30 40 IKEB Fc1c(F)c(F)c(N/N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(F)c1F 227149622 CLOANCFSIPXXEX-JNNAGZRYSA-N 449.810 6.485 30 40 IKEB CC(=O)Nc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408843840 HFXPVMLGSWZQLK-SSDVNMTOSA-N 449.757 6.556 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2CCc2ccccc2)cc1 408915708 ZOEGCMHMPSODLP-HSHJPCDPSA-N 440.612 6.965 30 40 IKEB COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCc1ccccc1F 409034612 HRSVJYRJJXOVMY-OXUBWTJQSA-N 442.306 5.127 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC(C)C)S/C1=N\c1ccc(C(=O)O)cc1 409059374 WVSSMOFEQDFTRV-RVFNTIOESA-N 444.940 5.449 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 409140623 KTVXMBNOFRLORP-BIZUNTBRSA-N 439.474 7.368 30 40 IKEB CC(C)/N=C1\S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1C(C)C 409209127 HHBJDICLRZYPBJ-SACJYJSVSA-N 435.568 5.918 30 40 IKEB Cc1c(C(=O)O)cccc1-c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)o1 409405226 NPFBTMRUFLJRKD-UHFFFAOYSA-N 449.466 5.212 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](CC)O[C@@H]1c1ccc(OC)cc1OCC(=O)O 2037873697 HGTCBQWKVILRGS-ILSIFQBBSA-N 444.955 6.028 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 844371 AAZBNMRMPZSCQJ-VWLOTQADSA-N 429.560 5.385 30 40 IKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 854104 BYIRBTICBVTIIR-DEOSSOPVSA-N 432.520 5.214 30 40 IKEB biogenic CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 2063671 YSOPWYFBRTXKDH-LJQANCHMSA-N 432.358 5.006 30 40 IKEB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1F)C1=C(N2)c2ccccc2C1=O 3257875 RTHZACLUPASDJR-QFIPXVFZSA-N 425.438 5.624 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)sc1C 8817344 UMCKCXRFQIFVNZ-GOSISDBHSA-N 442.899 5.335 30 40 IKEB O=C1/C(=C/c2cccnc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 9282069 IUMGQZBDXQQQEU-XYGWBWBKSA-N 434.451 6.035 30 40 IKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(OCCC)cc2)c2nc3ccccc3o2)cc1 11614470 NHXYJGNGNZQUMD-YVNQKZIZSA-N 439.511 6.953 30 40 IKEB C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc(Oc2ccccc2)c1 12464644 ULCLEKMRWRWIDI-VAMRJTSQSA-N 445.566 6.200 30 40 IKEB C=CCn1c(SCc2nc(C(C)C)no2)nc2scc(-c3cccs3)c2c1=O 12905582 YXBGYEZOGRKMOU-UHFFFAOYSA-N 430.580 5.171 30 40 IKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1Cl 27902699 CVFGSADKPZQOBC-CSKARUKUSA-N 429.539 6.064 30 40 IKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 30823035 PDUJMKBDRQIUOU-XMMPIXPASA-N 430.529 5.577 30 40 IKEB N#C[C@@H](C(=O)CSc1nnc2sc3ccccc3n12)c1nc(-c2ccccc2)cs1 32777071 NNPWPYBCZYUXCT-AWEZNQCLSA-N 447.570 5.036 30 40 IKEB COc1ccc(/N=C2\[C@H](N3CCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 33435817 YCXREHIUXQNIAX-HELSZXIZSA-N 431.580 5.495 30 40 IKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1ccc(OCc2ccccc2)cc1 33621094 GOQDZYWEGURWJT-DANHRZQXSA-N 442.334 6.287 30 40 IKEB CCCC/N=C1\S/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)N1CCCC 35041992 WYNTXVSRDXPBNC-YACCPEJUSA-N 441.553 6.036 30 40 IKEB CC[C@@H]1CS/C(=N/c2ccccc2C(F)(F)F)N1Cc1ccc(Cl)cc1Cl 105338663 ODDXNUYEEPETJJ-HUEFVVPSSA-N 433.326 7.027 30 40 IKEB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCCCC#N 107133577 LIODNKKPJCSDTJ-VJANTYMQSA-N 428.577 5.779 30 40 IKEB O=C(CSc1ccccc1/N=C/c1cccnc1Cl)Nc1cccc2ccccc12 215721497 MAHJEORWWGWMPD-JFLMPSFJSA-N 431.948 6.370 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N\c1ccccc1 408881189 KEHGQGIJJVWENF-SUNGDTPNSA-N 431.561 5.772 30 40 IKEB CC/N=C1/S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C(=O)N1CC 408930854 CWUMLVNJIKLJSC-PHSRYYMBSA-N 430.573 6.039 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409073326 MIUQIOQZDDTUKE-RPPGKUMJSA-N 449.816 6.292 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(F)c1 409208926 DIQYKOABXGNGNV-UVHMKAGCSA-N 432.322 7.169 30 40 IKEB Cc1cc2nc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)oc2cc1C 3092450 NSPQJTVQBFTWKQ-RPPGKUMJSA-N 449.348 6.947 30 40 IKEB O=C(CON=C1c2ccccc2-c2ccccc21)N(CCc1ccccc1)Cc1ccccc1 3312519 GAZLXGGVIMARNH-UHFFFAOYSA-N 446.550 5.708 30 40 IKEB COc1ccc(/C=N/OCc2ccc(Br)cc2)cc1OCc1ccccc1 3341546 IDOIYMAHWNUSHS-ZVHZXABRSA-N 426.310 5.587 30 40 IKEB Clc1ccccc1/C=N/c1cc2c(cc1/C=C/c1ccccc1)C[C@@H](c1ccccc1)N2 4235256 LXELOHAFCYYCOU-SKWOMLIGSA-N 434.970 7.970 30 40 IKEB CC[C@H]1CS/C(=N\c2ccc(C(=O)/C=C/c3ccc(Oc4ccccc4)cc3)cc2)N1 8687697 QFFSNQJKVMTZBJ-KRWRZEAGSA-N 428.557 6.478 30 40 IKEB aggregator CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccc(Cl)cc1)OCO4 9129445 NVUKDOCYWMUCEB-IBGZPJMESA-N 433.935 5.708 30 40 IKEB COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1OCc1c(F)cccc1Cl 9310459 KOEJQVOJPMBGKZ-BRJLIKDPSA-N 441.915 6.122 30 40 IKEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1cc2ccccc2nc1N1CCCCC1 12684787 LYBFHVUFWQIZMB-CCEZHUSRSA-N 449.558 5.569 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 15012051 JNRVANJSPHKXBH-OEAKJJBVSA-N 442.565 5.539 30 40 IKEB Cc1cc2c(cc1C)N[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 18107741 QZJRQBFNIKGYNQ-QFIPXVFZSA-N 425.370 6.288 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C=C(N5CCCCC5)CC[C@@]43C)[C@@H]1C/C(=C/N1CCCCC1)C2=O 31647364 NCJGURLTEUXPIK-FEVBXEKHSA-N 448.695 6.478 30 40 IKEB C=CCN(C(=O)CSc1ccc(C(C)=O)cc1F)c1nc(-c2ccccc2)cs1 32994587 UOWBIZMPPNOAPR-UHFFFAOYSA-N 426.538 5.463 30 40 IKEB C=CCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)c1nc(-c2ccccc2)cs1 40052352 DTPFSVDNMFLQLE-UHFFFAOYSA-N 443.576 5.422 30 40 IKEB Clc1ccccc1COc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2s1 59386988 VRRUYNYBJLIOEO-JFLMPSFJSA-N 443.959 7.128 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 102588785 SIZHNAVGSGBRMV-MRJHHRETSA-N 448.862 5.183 30 40 IKEB O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 102609357 NBJGHJSMIDKCJL-YDJIHCHBSA-N 441.380 5.471 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 102721271 DRSYIQCDSLXEDX-JBCNATCCSA-N 444.512 5.386 30 40 IKEB C=CC(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103547914 NNGYYMQQINPHJN-UHFFFAOYSA-N 432.176 5.235 30 40 IKEB CCOc1ccc(Nc2nc3ccccc3nc2/N=C2\CC(C)=NN2c2ccccc2)cc1 104223525 QVOXQTGXYCYTMD-BGABXYSRSA-N 436.519 6.088 30 40 IKEB CC(C)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408857406 UXGNWUBZZPFROZ-FSJBWODESA-N 434.786 7.721 30 40 IKEB CCCCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 408911033 IPFLTCAYKOVOIX-ZIGJTDFESA-N 429.383 6.162 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc1 408915413 YCUBHKCUDOHOMB-WEOUEGTISA-N 442.584 6.240 30 40 IKEB CCCCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccccc1 408952708 MHDWZWSUTIIYHU-YJMOJNCUSA-N 431.561 5.890 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCC)c(Cl)c3)S2)cc1 408954309 SKADWGSKKKLUQG-GZTJUZNOSA-N 437.348 5.682 30 40 IKEB Cc1ccc(COc2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409094572 DVQOIPIECIYODB-LGJNPRDNSA-N 429.398 5.947 30 40 IKEB CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1C(C)C 409216516 ITRFYGNZZGARHC-CXDOZEDNSA-N 433.371 5.798 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC(C)C)c1 1531351464 TXLPWFDQCZJABU-GMJSKMFWSA-N 442.357 5.342 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccsc2)cc1OC 1097759 ONWRRUVUXMKAKW-SSOJOUAXSA-N 432.545 5.745 30 40 IKEB N#Cc1ccc(Oc2ccc(Oc3ccc(C#N)c(C#N)c3)c(Br)c2)cc1C#N 1265677 GNQOIPVSDYBSJA-UHFFFAOYSA-N 441.244 5.520 30 40 IKEB Cc1ccc(N/N=C(C(=O)c2ccccc2)/C(O)=N/c2nc(-c3ccccc3)cs2)cc1 2075459 JIJDHYAKFADMPE-QUPMIFSKSA-N 440.528 6.058 30 40 IKEB CC(C)(C)[C@H]1CCc2nc(SCCC3OCCO3)c(C#N)c(-c3cccs3)c2C1 8451236 UYTOXDHIMRELBA-HNNXBMFYSA-N 428.623 5.688 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCCN1CCCCC1 9086494 IFKNSFUJCMOPJZ-UHFFFAOYSA-N 434.008 6.519 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H]3CCc4ccccc4C3=O)n2)cc1 9129358 FLHYFJDGWJRGJG-HHHXNRCGSA-N 446.575 6.886 30 40 IKEB COc1cc(C(=O)/N=C2\Nc3ccccc3N=C(C)[C@H]2c2ccccc2)cc(OC)c1OC 9340100 XAXXPBMVXIXMNA-QHCPKHFHSA-N 443.503 5.253 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C#N)C1 9553777 YTFOFHPHFLKROS-CYBMUJFWSA-N 429.586 5.427 30 40 IKEB COc1ccc2c(-c3ccccc3)cc(SCC(=O)Nc3ccccc3C#N)nc2c1 13018088 QAYGBIRUOMTDFA-UHFFFAOYSA-N 425.513 5.513 30 40 IKEB COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2ccc3ncccc3c21 14945041 HTODOGDMKHAXPQ-WHLCRQNOSA-N 432.523 6.202 30 40 IKEB COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C)C3)c1 15946518 ZUJNXOYFMXQPHZ-KSXCTLEASA-N 434.561 5.893 30 40 IKEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCCC1 16039917 NRXSHTMQYCWAJB-FRRISVFZSA-N 441.656 6.540 30 40 IKEB biogenic N#Cc1c(/N=C\c2ccccc2Br)sc(-c2ccccc2)c1-c1ccccc1 16675992 HVJZZDGWXGOSTM-YUMHPJSZSA-N 443.369 7.467 30 40 IKEB CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 17095575 IPSGGAFKZNYNAN-CQSZACIVSA-N 427.595 5.050 30 40 IKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 18106881 WDWAQXJHXSWBCK-WINIVTDRSA-N 426.516 5.683 30 40 IKEB COc1ccc(N2CCN(C/C(=N\OCc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 20365808 YFONROQUUZVUGQ-BYCLXTJYSA-N 449.982 5.092 30 40 IKEB CN1CCc2c(C#N)c(SCc3ccc(Cl)c(Cl)c3)nc(N3CCCC3)c2C1 20663651 VOURRRMZPSHLRS-UHFFFAOYSA-N 433.408 5.140 30 40 IKEB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 66091552 GDIKTMXIVDPXNX-RUZDIDTESA-N 444.575 5.555 30 40 IKEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 96346568 MVJQJXABALXQCO-RBUKOAKNSA-N 426.545 5.811 30 40 IKEB CCCCCCCCCOc1ccc(/C=N/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 100886820 SDTKHWMFHXSCKR-QZPVIKGESA-N 435.608 7.291 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccc(F)cc1 102148997 MQPMPYKFHPMQJI-QLNITERQSA-N 433.961 5.863 30 40 IKEB O=C1C2=C(N=C3C[C@@H](c4ccco4)CC(O)=C3[C@@H]2c2ccc(Cl)cc2)c2ccccc21 102882306 RNPXVCHPKMMSBO-QRQCRPRQSA-N 427.887 6.469 30 40 IKEB O=C(c1ccccc1)N1C(=O)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1 104311516 HXWMFCLWDJULMR-LQJPZNDESA-N 444.494 6.229 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)C#Cc4ccccc4)[C@@H]3CC[C@@H]2C1 118915125 AXNNSHMUJUSTKY-POFSMYHLSA-N 434.620 5.744 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OCC(C)C)c4ccccc34)C2=O)s1 138162137 IMDSMROLARKMDM-IXPXTECGSA-N 437.590 5.706 30 40 IKEB C=CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224990611 HWRQJGRIDXWHIA-UHFFFAOYSA-N 432.792 5.206 30 40 IKEB Cc1cc(Br)ccc1-c1ccc(/C=C/C(=O)n2cc(C#N)c3ccccc32)o1 226362581 NTIBJJRWYZMYIO-DHZHZOJOSA-N 431.289 6.198 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc(C)c([N+](=O)[O-])cc3C)o2)S1 408720604 ACRJFZVHFZUVRV-MTJSOVHGSA-N 433.489 5.672 30 40 IKEB COc1cc(/C=N/Nc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408815860 VJDXXIQIAABIEJ-BRJLIKDPSA-N 435.738 6.680 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N2CC(C)C)cc1 408910721 HORQQXKHWGMBAG-ZHUAHHRVSA-N 429.929 5.817 30 40 IKEB CCn1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 408919932 FMFGCSAXDVETGW-LTUYXDACSA-N 429.589 6.598 30 40 IKEB CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408944962 VPHKNZNFVYJJBP-RBIIPTDJSA-N 444.578 7.816 30 40 IKEB Cc1cc(C)c(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2C)c(C)c1 408959573 BFCLETKQVPGZST-MLSYBWHESA-N 444.604 5.702 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 409106476 MIOFTIKMLJYCEF-RMORIDSASA-N 434.330 5.536 30 40 IKEB Cc1cccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1C 409218067 SLDOYGVGXXCIEV-KKMKTNMSSA-N 448.828 7.427 30 40 IKEB CCCCCCC(=C/c1ccccc1)/C=N/n1c(=O)[nH]c2c([nH]c3ccc(F)cc32)c1=O 2310744 VPINXZQWBLHRBQ-DPVRZMGRSA-N 432.499 5.198 30 40 IKEB Cc1cc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)c(O)c(Br)c1C 3092452 WGIFIIJBOBXXLL-BHGWPJFGSA-N 437.293 6.036 30 40 IKEB COc1ccc(Br)cc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 3240691 YSMXHJXSKXLJDT-WYMPLXKRSA-N 437.249 6.193 30 40 IKEB N#Cc1c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)sc2c1CCCC2 3668872 YYTBKBBROLOWSE-UHFFFAOYSA-N 439.005 6.697 30 40 IKEB CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 4172334 AHBKIEXBQNRDNL-FVCOMRFXSA-N 448.603 5.744 30 40 IKEB biogenic,in-man Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccnc3)sc2c1 6193471 DCNKZFLYBRJGTL-OAQYLSRUSA-N 441.512 5.091 30 40 IKEB CCc1ccc2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)ccc3O)nc2c1 6860398 RDLZAQROXBLBHH-WYMPLXKRSA-N 433.420 5.136 30 40 IKEB Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccc(Cl)cc2Cl)Nc2ccccc2)n1 9383344 ZXXFTYWKPHPDFG-UHFFFAOYSA-N 429.311 5.512 30 40 IKEB CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C)cc1 11915275 UFHYSHPYOBSUOT-QHCPKHFHSA-N 437.536 5.108 30 40 IKEB Cc1sc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(C#N)c1C 27260724 GHHFIIJFMNHTTD-UHFFFAOYSA-N 444.343 6.048 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 28182621 IANJMAAMINZOIL-ROTLSHHCSA-N 447.893 6.649 30 40 IKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cnc2ccccc21 49757339 LFTUVAZFWXEWIQ-UHFFFAOYSA-N 435.575 6.910 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 59959491 MGVKBQZTXZRMGX-MSIOFZDNSA-N 448.910 5.015 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)Nc1cc(F)c(F)cc1Cl 98001308 OYBOSSHIFVDVSQ-UHFFFAOYSA-N 431.011 8.221 30 40 IKEB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@@H]21 101506876 DVJCYWWUKJRSJW-VSQYNUGQSA-N 444.600 6.200 30 40 IKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 102488872 LKMVSRQHPNWMJA-OBVHCKHUSA-N 444.512 5.441 30 40 IKEB CCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530270 DEQOWOWYUXHCKY-SNAWJCMRSA-N 438.174 6.717 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccccc1OCc1cccc2ccccc12 113833470 MQBHGHNCGWBLTA-KOEQRZSOSA-N 436.536 6.310 30 40 IKEB C=CCOc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408562652 DVWGLZZNJAHDHH-AREMUKBSSA-N 444.556 5.278 30 40 IKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 408592615 MWTXFEUGIJWONW-JVWAILMASA-N 426.472 6.186 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3Cl)NC2=O)cc1OCC 408806261 AHPFHJCXZHLBTH-PDGQHHTCSA-N 447.343 5.296 30 40 IKEB Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 408930972 FNFCIOKLIPREGV-RDRPBHBLSA-N 443.978 6.239 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Br 408962513 SQGIXRQQIKMGIM-HWQJWEFDSA-N 449.345 5.657 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 408965733 LSLZQABJOWFNSM-OEAKJJBVSA-N 431.561 5.611 30 40 IKEB CCOc1ccc2nc(Sc3ccc(/C=C4\Sc5ccccc5C4=O)o3)sc2c1 408987042 AAEJDQSHZUNWSH-UNOMPAQXSA-N 437.567 6.769 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 409231389 CTRLYCVDESSOJX-WOJGMQOQSA-N 447.343 5.214 30 40 IKEB O=C1/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Sc2ccccc21 409318251 UMVIQMHWFPXCLE-JAIQZWGSSA-N 443.402 6.735 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 409360815 NNVDRUBIMRMPLN-UHFFFAOYSA-N 438.622 5.245 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(C(C)C)cc2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875452 QSOGRAPLOSWWTM-MKHKVULQSA-N 426.528 6.239 30 40 IKEB N#C[C@@H](C(=O)CCCC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl 1614000 BQXODNMEUYOOAQ-CQSZACIVSA-N 444.145 6.285 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 3082722 WPBUGVVFDCKJKX-BHGWPJFGSA-N 449.677 6.525 30 40 IKEB O=C(/C(=C\c1ccc2c(c1)OCO2)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 4963826 LFXXYWDJQRZCLJ-BWAHOGKJSA-N 441.527 5.313 30 40 IKEB Cc1nc2cc(/N=C3\S/C(=C/Nc4ccc(C)c(Cl)c4)C(=O)N3C)ccc2s1 8927954 GVIKWKVSUOHRSL-KNNUAVEPSA-N 428.970 5.713 30 40 IKEB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)Nc4cccc(C#N)c4)C3)c2C)cc1Cl 12603373 AONWAIPAMWWZGM-TZIWHRDSSA-N 445.954 5.556 30 40 IKEB biogenic,in-vitro C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S/C1=N\N=C(\C)c1ccc(F)cc1 13634320 QEDZPCJTDQBXSY-UZULURGESA-N 449.473 5.297 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 13803636 HSMMODISRSTMKV-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB Fc1c(F)c(F)c(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c(F)c1F 16185337 GIFGRDQITJPSOR-PNQUVVCRSA-N 442.387 6.560 30 40 IKEB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccccc2)cc1 19855655 VPBZZHLNWNTZKH-NHFJDJAPSA-N 426.541 5.833 30 40 IKEB CCc1ccc2nc(N3CCCN(C(=O)Nc4c(C)cccc4C)CC3)c(C#N)cc2c1 35311725 MOMDXTZWKZPQRQ-UHFFFAOYSA-N 427.552 5.030 30 40 IKEB C=CCN1C(=O)/C(=C/c2c(-c3ccccc3)nc3sc(CC(C)C)nn23)SC1=S 41074237 VUKCGWJSWCGQEO-VBKFSLOCSA-N 440.619 5.044 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 43743143 MQYXUWHLBZFQQO-TZTCSNRFSA-N 426.729 8.025 30 40 IKEB CCCCCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 97998516 NOKCDFZTIWJEFQ-UHFFFAOYSA-N 444.579 6.041 30 40 IKEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224961494 MRFFVVUKGDCQRU-UHFFFAOYSA-N 443.952 5.309 30 40 IKEB C#CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc12 226360176 ZDHSUSJQRRGKFY-UHFFFAOYSA-N 445.110 5.217 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)c2ccccc21 409117269 NZHSCSNQQQLNBE-HMAPJEAMSA-N 428.919 6.088 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2C)S/C1=N/c1ccc(OC)cc1 409236117 RDEVQNRGWICMRK-AOUVVKEYSA-N 435.593 5.618 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc(OCc2cccc(F)c2)c1 1531383072 AGKWCUKHHSYAIR-UXHLAJHPSA-N 449.485 5.664 30 40 IKEB C=C[C@H](CCCCCCC)[C@@H]1C2=C(C(=O)[C@H]3[C@H](C)[C@@H](C=C4CCC[C@@H](C)[C@@H]43)O2)C(=O)N1O 1772591264 PMCQKTPMBJJHIX-JCCGWRRQSA-N 441.612 5.600 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 952990 GLCWESATTUQJBY-DEOSSOPVSA-N 449.522 5.182 30 40 IKEB CCOc1ccc(/N=C2/S/C(=C\c3cc(Br)ccc3O)C(=O)N2CC)cc1 1011974 CILVFJKZIRTHOJ-CFDZAGTRSA-N 447.354 5.177 30 40 IKEB Cc1ccc(NC2=C(C(=O)c3ccco3)[C@@H](c3ccccc3)N(c3ccccc3)C2=O)cc1 1076107 OBXAAWFCOTYJHK-AREMUKBSSA-N 434.495 5.925 30 40 IKEB O=C(O)[C@@H](CSC(c1ccccc1)c1ccccc1)/N=C/c1c(O)ccc2ccccc12 1870694 VYRZOJFIXYKXLK-MRAZWZEMSA-N 441.552 5.940 30 40 IKEB CCOC(=O)/C(=N/Nc1ccc(C)cc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 2073218 OFDGIRDYFFEQAE-SZXQPVLSSA-N 449.532 5.217 30 40 IKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2408854 KKRHWCUOOKZTMP-UHFFFAOYSA-N 443.526 5.702 30 40 IKEB CC(C)(C)c1ccc(-c2nnc(SCCOc3ccc(C#N)cc3)n2C2CCCC2)cc1 3370726 PGUFAGIKWZRIDC-UHFFFAOYSA-N 446.620 6.400 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1OC 6196540 LVACMOLCSLTQMM-RUZDIDTESA-N 446.547 5.009 30 40 IKEB Oc1ccc(/C=N/Cc2cccc(C(F)(F)F)c2)c(O)c1Cc1c(F)cccc1Cl 8762046 XAZGXXRVQBIAOM-KVSWJAHQSA-N 437.820 6.119 30 40 IKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC 8854741 FNOYHEBTRUGYFK-QHCPKHFHSA-N 437.536 5.171 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccc1Cl 9307972 NESUIOAPIDIPJC-UHFFFAOYSA-N 426.973 5.386 30 40 IKEB CCN1CCN(c2ccc(/N=C/c3ccc(-c4ccc(Br)cc4)o3)cc2)CC1 9934840 GVUXKOSRDOJIEC-KOEQRZSOSA-N 438.369 5.602 30 40 IKEB S=c1[nH]c(-c2ccccc2)cn1/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 12565446 PTNOWZMVTBYZBJ-ZTKZIYFRSA-N 446.579 7.565 30 40 IKEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)n1 13059259 SBACXLBZOODOAQ-IBGZPJMESA-N 441.512 5.008 30 40 IKEB O=C(/C=C1/Nc2ccc([N+](=O)[O-])cc2N/C1=C/C(=O)c1ccc(Cl)cc1)c1ccccc1 16958899 JLROVADVPPVTIW-JFMUQQRKSA-N 445.862 5.619 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3nc4ccccc4n32)cc1 17099612 ITRPBVPFKBZSGH-NFQMXDRXSA-N 435.527 5.769 30 40 IKEB CSc1nc(Nc2ccc(N3CCCC3)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820411 AAMFQGCREVXTKA-UHFFFAOYSA-N 443.620 6.378 30 40 IKEB Cc1ccc(C(=O)Nc2sc(N/N=C\c3cccc(O)c3)nc2-c2ccc(F)cc2)cc1 32694299 RGIDEJKULFDTHR-WGARJPEWSA-N 446.507 5.662 30 40 IKEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1ccccc1C(F)(F)F 100006031 WIIHABIHGUOPRE-IMRQLAEWSA-N 443.454 5.328 30 40 IKEB Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1NC(=O)c1cc2ccccc2o1 100299239 WQOBNVGZJDEOQA-DHRITJCHSA-N 449.304 6.212 30 40 IKEB N#C[C@@H](C(=O)c1cc2sc3ccccc3c2s1)S(=O)(=O)c1ccc(Cl)cc1 102143706 CKLMXDFMAKCXIV-KRWDZBQOSA-N 431.947 5.318 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C 223601648 MGGGUVBOIURRKD-PVFDWLMNSA-N 433.621 6.387 30 40 IKEB COc1ccccc1-n1c(=S)ssc1=N/C(=N\c1ccccc1)c1ccccc1 252429292 WZPNTZCQCFDFLM-DHBAMBCESA-N 435.599 6.018 30 40 IKEB CC(C)(C)c1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408813083 DWWQAMAFWKAJNP-CFRMEGHHSA-N 448.813 7.895 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)c2ccccc12 408912532 NLBUKAPREDKXIM-UINIZAEWSA-N 430.573 6.425 30 40 IKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408952814 VXQKXDJWABZAAF-LQKURTRISA-N 443.934 6.940 30 40 IKEB CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1O 408970786 KFXNCOWSICEZAU-WPWMEQJKSA-N 448.588 6.514 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)S/C1=N/c1ccc(Cl)cc1 409084779 XONKDHDVTSRJTF-ZOVWXIRQSA-N 430.957 5.680 30 40 IKEB O=[N+]([O-])c1cccnc1N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409115174 KRXDYVGESPBUDS-VULFUBBASA-N 432.867 5.821 30 40 IKEB Cc1ccccc1/N=C/c1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2ccccc12 409209306 IVGWSVCFWIXNBO-MFKUBSTISA-N 427.416 6.508 30 40 IKEB Clc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c1 409216479 LQTZKDKWGIGRTI-STBIYBPSSA-N 448.349 8.115 30 40 IKEB CCOC(=O)c1cccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409384802 FUUJLBKMOIDTOL-YUMHPJSZSA-N 430.504 5.248 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cccc(Br)c1 663063 NTAHEAFMDPYKQC-TZIWHRDSSA-N 434.333 5.491 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NCc1ccccc1 1916312 HEJKOCSADUMYGF-UHFFFAOYSA-N 435.552 5.696 30 40 IKEB CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2128121 NKJYZYWCGKSMSV-GOSCKZQVSA-N 442.640 6.360 30 40 IKEB biogenic C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccncc1 2618165 JXVRJFUWGOKKGV-UHFFFAOYSA-N 449.605 5.029 30 40 IKEB COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)cc4)c(C)c3)cc2C)cc1 2832060 QFJKAORJZKYRHP-GKTLAHRSSA-N 448.566 7.489 30 40 IKEB Cc1cc(C)c2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)cc3)nc2c1 3032280 JMHDBRYOUQFNJL-FOKLQQMPSA-N 432.392 5.384 30 40 IKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)nc2c1 3087356 KWGMAMGXLJLIDC-BRJLIKDPSA-N 435.321 6.639 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)s2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 6407948 GFBWHKMHZFPNDT-IVZQSRNASA-N 427.591 5.431 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 9422642 NWXLOKJZBBIWKV-ZMOGYAJESA-N 443.886 6.150 30 40 IKEB COC(=O)c1ccc(COc2ccccc2/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 12311411 NZWXCPYHXOJVFB-RWPZCVJISA-N 445.906 5.700 30 40 IKEB COc1ccc(-c2csc(N3N=C(C)/C(=N/Nc4cccc5ccccc45)C3=O)n2)cc1 13897489 ACXPTINHFKJUDZ-QYQHSDTDSA-N 441.516 5.163 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1 14273269 DRIRRCKQTROLNF-AWEZNQCLSA-N 449.532 6.191 30 40 IKEB COC(=O)c1cccc(/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 16268277 GYTBIAYMKLVOOZ-MXAYSNPKSA-N 436.533 5.270 30 40 IKEB C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)nnc1C(C)C 17095596 RUVYCEPEUWPOPE-UHFFFAOYSA-N 427.599 5.059 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3noc4c3CCc3ccccc3-4)c2C#N)C1 20137769 JDWZNYXLRZPBNZ-OAHLLOKOSA-N 431.561 5.777 30 40 IKEB CCOC(=O)c1sc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(C#N)c1C 32124547 LXAXVHMRHVYULJ-UHFFFAOYSA-N 447.727 5.083 30 40 IKEB COc1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cc1CSc1ccccn1 36611163 CYSLGLDJAFWMBY-RIYZIHGNSA-N 444.600 6.269 30 40 IKEB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1 84687086 JXLFGOSYBSSLLA-SCLBCKFNSA-N 435.936 5.787 30 40 IKEB CCCCCCCCCCCCCCCCNc1ncnc2sc3c(c12)CCCC3 96021482 NKULGBGRFQDMQW-UHFFFAOYSA-N 429.718 8.463 30 40 IKEB Cc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(C)cc2)=C2SCCCCS2)cc1 100143901 HBGLUKZHRMBMMF-WXUKJITCSA-N 434.626 6.640 30 40 IKEB CCCCCCCc1ccc(-c2c(C#N)c(/C=C/N(C)C)nc3c2C(=O)c2ccccc2-3)cc1 100916134 RKKPDGNHCPTFHE-VHEBQXMUSA-N 449.598 6.877 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 408674208 YHNNOKQOOPIQMH-UHFFFAOYSA-N 438.568 6.497 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)ccc1I 408779059 QAKQCVLSBSALFQ-FSJBWODESA-N 432.280 5.897 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(OC)c1 408871211 YVVNMSKPJLWPAZ-AEXPQDBSSA-N 436.577 5.887 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2CCc2ccccc2)cc1 408912220 MLMMMUJEEDZYKH-YCJCGMCGSA-N 442.540 5.570 30 40 IKEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C(=O)N1C 408930579 YZRKIAYNJFYAOJ-KGJCRGFQSA-N 438.778 5.042 30 40 IKEB COc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1cccc(F)c1 408976634 BLDYXYBIVDDWOE-UHFFFAOYSA-N 425.463 5.596 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O 409070360 YSSXLAQBDCGQJZ-LDADJPATSA-N 430.323 5.250 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)nc1 409103783 YTFYVXZTBDPWFN-XAZZYMPDSA-N 444.460 6.703 30 40 IKEB CCOc1ccc(/N=C2/S[C@@H](Cc3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 409144434 YMCPOVCJAKYXIM-ZELUPATCSA-N 442.581 5.077 30 40 IKEB CC[C@H](C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1OC 409298172 YMDPCHODUTZZMS-SFHVURJKSA-N 433.552 5.512 30 40 IKEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O 1081801740 UTXXZOLHNGBYPU-PGLVWIQMSA-N 449.462 5.301 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 676290 DGOIDBMIVMSBTM-QHCPKHFHSA-N 434.967 5.891 30 40 IKEB CC(=O)[C@@]12O[C@](C)(c3ccco3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 1696706 PDWGBWJIJZYLQQ-FHNGSDGUSA-N 438.564 5.337 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2ccccc2Cl)c2nc3ccccc3nc12 2422142 ZMHXVIADGQALEK-UHFFFAOYSA-N 435.959 5.510 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1Cl 2442146 FBCSWWUHTDIKFO-UHFFFAOYSA-N 434.952 5.669 30 40 IKEB N#C[C@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 3366231 KRVHDTCPMVGTAD-REWPJTCUSA-N 440.528 5.007 30 40 IKEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(OCC)cc2)nc2sc(C)c(C)c2c1=O 3470744 BYOODFAOHSFYCL-HNNXBMFYSA-N 428.579 5.023 30 40 IKEB C=CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(CCC=C(C)C)C[C@H]1C)Nc1ccccc1-2 8452648 VFNQPQLDBNDLTA-LJFZDNNRSA-N 448.636 6.666 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccco3)sc2c1 9354343 DSGFOHUFBCJRFX-FQEVSTJZSA-N 448.475 5.374 30 40 IKEB O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12785444 VMFYJWNUCJQFPV-UHFFFAOYSA-N 449.407 5.682 30 40 IKEB Cc1n[nH]c2c1C1=C(C(=O)[C@@H](C(C)(C)C)C[C@@H]1C(C)(C)C)[C@@H](c1ccc(N(C)C)cc1)N2 16265950 JVUXTMQBVQQAIR-SFYKDHMMSA-N 434.628 6.002 30 40 IKEB C[C@@H]1CN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C[C@@H](C)O1 33027109 BLWHKQOPCPKCEV-IAGOWNOFSA-N 429.476 5.152 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ncccc4N23)c(C)c1 35896901 HJULPICYDRMERV-CYXNTTPDSA-N 448.501 5.122 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O 59433553 ZCCLSQXVNASTBK-UNOMPAQXSA-N 443.355 6.437 30 40 IKEB Cc1ccc2oc(-c3ccccc3/N=C/c3cc(Cl)cc(Br)c3O)nc2c1 100505832 VRVUEDJWDHEHTP-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cc2cccc(OC)c2o1 101191472 IRIAMCQNZSSQSS-UHFFFAOYSA-N 448.548 5.234 30 40 IKEB CCCC/N=c1/scc(-c2ccc(Br)s2)n1/N=C/c1ccc(C#N)cc1 103371603 YMKLTRVBKMWHLI-IADIKFADSA-N 445.411 5.495 30 40 IKEB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C1 215683215 ZSIQWMODTAAERP-STQMWFEESA-N 439.528 5.297 30 40 IKEB COc1ccc(-c2nc(/N=C/c3cccc(OC)c3)sc2-c2ccc(OC)cc2)cc1 408722590 LLSCNDGZPDNYEO-WGOQTCKBSA-N 430.529 6.254 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2Cc2ccccc2)cc1 408914641 VLDXMCYDOSTRJK-WRIATZMJSA-N 428.513 5.528 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C2CCCCC2)cc1 408915385 XYDRSXYQEYGMLC-OYJZPLNUSA-N 445.415 7.239 30 40 IKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccc(OC)cc1 408952711 MHMCUAQFGHZOQN-HNYZTYFESA-N 433.533 5.118 30 40 IKEB COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc([N+](=O)[O-])c1O 408978869 NYVLPIZWGVOFDF-ZMOGYAJESA-N 437.521 6.231 30 40 IKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(OCCCC)cc2)OC1=O 409002870 BXKIWLSKYSGYOL-GFMRDNFCSA-N 435.564 6.559 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C1=O 409071890 QKNNGZHJENPWED-LDADJPATSA-N 430.323 5.250 30 40 IKEB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O 409074094 RVMSVLDDSMOWQN-ODLFYWEKSA-N 448.375 5.030 30 40 IKEB COC(=O)c1cccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c1C 409108607 XCHBTVWUQQNHHX-OPEKNORGSA-N 447.369 5.415 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1cc(Cl)ccc1C 409116986 KIDACNONNXUOIF-UHFFFAOYSA-N 445.582 6.350 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 409169731 YXWJTEGJLOFXEV-YDZHTSKRSA-N 444.487 5.513 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1F 409211088 MUDCAUDAVCTFAF-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1OCC(=O)O 409211232 NCVDGPGXDAUTEP-PASSITCSSA-N 440.565 5.383 30 40 IKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(F)c1 409217433 UUJRPBNAVVBMQA-NDZAJKAJSA-N 441.502 7.346 30 40 IKEB CC[C@H](C)Oc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1 409304751 KUNHNNASIZISIK-HNNXBMFYSA-N 442.357 5.342 30 40 IKEB C[C@H]1CCc2c(sc(/N=C/c3cc(Br)c(Br)s3)c2C#N)C1 714832 QLMADRXMNAORFG-QVBAUOOPSA-N 444.217 6.082 30 40 IKEB Cc1ccc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 830371 OQZASONRRBHPCD-PFBJBMPXSA-N 429.523 5.588 30 40 IKEB N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(O)cc1)CCCC2 2027081 HYJXHVWPNGIWMA-UHFFFAOYSA-N 430.529 5.040 30 40 IKEB CC1(C)OC(c2ccccc2)=C/C(=C/C=N\c2ccc(Cl)cc2C(=O)c2ccccc2)O1 2270215 LRYWPGGNVAJLHF-CYICYEOYSA-N 443.930 6.981 30 40 IKEB C=CCN1C(=O)/C(=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S 2847810 UXGATXLGXPZDJJ-WQRHYEAKSA-N 436.385 5.960 30 40 IKEB Cc1cc(C)c2oc(-c3ccc(C)c(/N=C/c4cc(Br)ccc4O)c3)nc2c1 3068509 KEKODGIRTHJELY-BRJLIKDPSA-N 435.321 6.639 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2c2nc(-c3ccccc3)cs2)cc1 3073416 CVTLTSDKNATWQH-JOCHJYFZSA-N 442.584 6.203 30 40 IKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 3115497 RQYFPRUDFYKMSD-BHGWPJFGSA-N 437.908 6.598 30 40 IKEB O=C(Nc1cccnc1)/C(=N/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1 8685332 MAQGGHLEDDUYAG-RDRPBHBLSA-N 446.816 5.043 30 40 IKEB COc1cc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC 8838160 PSXOOMWRYCCWLC-CPNJWEJPSA-N 429.472 5.586 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCCC(=O)Nc1nccs1 8843594 UGJPORNVQQLJSF-UHFFFAOYSA-N 448.495 5.607 30 40 IKEB CCc1ccc(/N=C2/S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 12467282 AINQTJXLCMPTIW-RWBSCQHUSA-N 428.557 6.062 30 40 IKEB CCN(CC)C(=O)COc1ccc(/C(C)=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 12531832 WIHRWWXQGIQLSU-VULFUBBASA-N 441.881 5.442 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 13653818 IQGMRFWZLVWOJG-MTJSOVHGSA-N 426.877 5.032 30 40 IKEB Cc1sc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C#N)c1-c1ccc(F)cc1 17096218 MZSJLYHGFWMKJX-UHFFFAOYSA-N 428.916 6.184 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1 19314434 KYYQNEMVKYSELL-XMMPIXPASA-N 431.532 5.043 30 40 IKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 20761331 AIPVCGDWIDVAAZ-ZVHZXABRSA-N 425.326 5.160 30 40 IKEB C[C@H]1CN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C[C@H](C)O1 33027114 BLWHKQOPCPKCEV-IRXDYDNUSA-N 429.476 5.152 30 40 IKEB CCCCCCCSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1Cl 50862507 ZEEYESLWYAGPGO-UHFFFAOYSA-N 433.980 6.530 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccccc1 59193617 KSRXJUHVZBQQPN-MFKUBSTISA-N 429.501 5.484 30 40 IKEB N#Cc1ccc(CSc2nnc([C@@H](O)c3ccccc3)n2-c2ccccc2)c(Cl)c1 59720661 QBOZHWLKTOYFHW-NRFANRHFSA-N 432.936 5.166 30 40 IKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2[C@H](C)CC1(C)C 198101607 ODWZTOLAXRNPCT-CIXXEJBXSA-N 426.604 7.958 30 40 IKEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226336672 LTCPSQDGJVKWNW-FNORWQNLSA-N 425.695 5.424 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 408881123 JOMPGYYCJMXCNQ-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB CC(C)/N=C1\S/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N1C(C)C 409209812 HHHAWUVDMPCQLW-FTIPTLOASA-N 432.387 5.329 30 40 IKEB CCOc1cccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c1 409297060 VUCZLHOEZBOBKO-UHFFFAOYSA-N 437.421 5.363 30 40 IKEB CCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330153 CQLHEVONSBRMOO-QXMHVHEDSA-N 436.349 8.177 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1cccs1)C2 717696 UZUXXFJQRCTHNQ-MWTRTKDXSA-N 437.561 5.070 30 40 IKEB C=C(C)Cn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1826472 BDOFOSZSFUNVLS-UHFFFAOYSA-N 442.628 6.537 30 40 IKEB biogenic CCCCCCCCC/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 2092100 QTYNXWDCVBVOKC-ZXVVBBHZSA-N 446.620 6.612 30 40 IKEB Cc1cc(Oc2cc(C#N)c(C#N)cc2Oc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl 2590135 SMXQLAHBWOUGCB-UHFFFAOYSA-N 437.326 7.555 30 40 IKEB O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)ccc1Sc1ccccc1 3028604 QPHDPPDNORGEBI-FSJBWODESA-N 433.316 6.604 30 40 IKEB CCCCCC(=O)Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 3625441 PCDCDSFRCUGVSZ-UHFFFAOYSA-N 438.520 5.309 30 40 IKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc([N+](=O)[O-])ccc1O[C@@H]2c1ccccc1 3669376 IFJGOADHVDIMSW-XMMPIXPASA-N 446.547 6.407 30 40 IKEB O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccccc2)S1 8869690 XZVFPPHQPOQPAP-XOFWUJAUSA-N 447.535 5.029 30 40 IKEB CCOC1=C/C(=C2/C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)cc2)c2c(C)oc(C)c21 9069476 OYFFFEZXIFESOA-VXPUYCOJSA-N 429.516 6.015 30 40 IKEB O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]23)cc1 12338456 LRZMINYCHKGPFT-CUNSSONQSA-N 443.503 5.829 30 40 IKEB C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2nc3ccccc3s2)c1=S 12993331 KEVVZJJHWYMPOJ-UHFFFAOYSA-N 442.013 5.620 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(Br)s1 13893777 JFKLCDVPSGHJRM-QFIPXVFZSA-N 438.390 6.973 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C2\C[C@H](c3ccccc3)C(c3ccccc3)=C2Cl)c([N+](=O)[O-])c1 17044837 KNFNODSXKGDCHS-TUQDJIKESA-N 448.866 6.109 30 40 IKEB Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(F)cc1Cl 20477741 QUCMSMFWGWOIND-UHFFFAOYSA-N 449.957 6.460 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(SCCO)c([N+](=O)[O-])c3)c2C#N)C1 32124566 ONZCQCYEERRGMX-GMJSKMFWSA-N 443.594 5.514 30 40 IKEB O=C1/C(=C/c2cccc(Br)c2)S/C(=N\c2ccccc2)N1c1ccccc1 33894286 CLYDAFHGZPCBHM-WELATPIXSA-N 435.346 6.258 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1ccccc1Cl 36020651 HISGQXCECHFJPC-UHFFFAOYSA-N 447.966 6.102 30 40 IKEB O=C1/C(=C/c2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 102814127 UKBNRNSJEYFUED-HZLKLEQGSA-N 425.340 6.802 30 40 IKEB C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccccc1Cl 108077849 JGLOOVVHIBWLRL-UHFFFAOYSA-N 435.980 6.450 30 40 IKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226339803 VFXNHVJIQNHOFT-UHFFFAOYSA-N 448.527 5.778 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(I)cc3C)c2C)cc1 408753668 KHBQEROSFYEIGG-OYKKKHCWSA-N 442.344 6.320 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)S2)cc1 408956020 ZONYLELIBWBPRY-HZHRSRAPSA-N 447.560 5.393 30 40 IKEB COc1cc(/C=N\c2ccccc2Br)ccc1OCc1ccc(C(=O)O)cc1 408963967 AWBYNAJOAUBOMW-CFRMEGHHSA-N 440.293 5.486 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3Cl)c3c(CC)cccc23)C1=O 409142310 YADFWUJIGCQAMR-BKUYFWCQSA-N 434.948 5.575 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(Cl)cc2)cc1C(C)C 409282937 HXFHYGDMKFCDJK-UHFFFAOYSA-N 445.950 6.040 30 40 IKEB CC[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409291022 OFJRAQNSZXPNTQ-LJQANCHMSA-N 446.595 5.570 30 40 IKEB C=CCn1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)c2ccccc21 409317604 RCGUIYPMBKWMLI-UHFFFAOYSA-N 449.352 5.134 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(C(C)C)cc1 1531296720 OFHXNTBQVQEDEZ-ZVHZXABRSA-N 426.358 5.507 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](CC)O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)O 2037875234 MGECNIKJSFAXSB-IOGOZDDNSA-N 432.919 6.159 30 40 IKEB COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 708741 UOVHWDQSTBWHMY-VWLOTQADSA-N 443.543 6.175 30 40 IKEB C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2253687 LQMBVFJCDKIJOG-OAQYLSRUSA-N 444.512 5.181 30 40 IKEB CCCc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c2ccccc12 2354878 DZBNXKGNQKJXTO-LJAQVGFWSA-N 433.576 7.659 30 40 IKEB Cc1nc(S[C@@H]2CCCCC2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1 3211730 XCMYZNBHYABUBR-LJQANCHMSA-N 447.585 5.846 30 40 IKEB COc1c(Cl)cc(Cl)cc1/C=N/c1nc(-c2ccc(Br)cc2)cs1 6905750 IDNXCEYRLCXNTQ-ODCIPOBUSA-N 442.165 6.639 30 40 IKEB CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 8417346 ZDKRXBKIYXWTIR-UHFFFAOYSA-N 449.747 8.692 30 40 IKEB COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 8761958 LHZZMHLXKOFUGQ-QYQIQJBXSA-N 448.559 5.477 30 40 IKEB biogenic CCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 9234149 GDUBPGLBPMQIEE-OEAKJJBVSA-N 428.513 5.737 30 40 IKEB CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 9270872 YSLRDVYZMDKANX-JOCHJYFZSA-N 433.891 5.522 30 40 IKEB Clc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 9320737 OAJLBXBPGDIFFQ-LUJVFJMUSA-N 435.958 7.446 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3s2)n(Cc2cccs2)c1C 9833377 VIAIOQHNBPAUQD-UHFFFAOYSA-N 438.603 5.427 30 40 IKEB CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CC[C@H](C)C3)cc1 9907620 FCEQIHZOIAIOKH-ZXSUQFSISA-N 436.552 6.414 30 40 IKEB Cc1cccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 13896304 NBDMVMSMZLRAIY-WAMJVRJTSA-N 437.568 6.323 30 40 IKEB N#Cc1ccccc1-c1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1 14185356 WIMPUCJFKJRXAB-UHFFFAOYSA-N 428.586 6.096 30 40 IKEB O=C1/C(=N/c2cccc(Cl)c2)C[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 17301180 OYOJRJRPTJFBDY-QRUUQNQBSA-N 429.734 6.898 30 40 IKEB COc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 20196087 VJXMDWGFTKXGQK-LGJNPRDNSA-N 445.346 5.713 30 40 IKEB O=C1C[C@@H](c2ccco2)CC2=C1C(c1ccccc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 22469366 WYYCOWWTNRYIAQ-ROUUACIJSA-N 425.484 5.361 30 40 IKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccc(Br)cc3)c(-c3ccccc3)c2c1 33411225 VPOOTIZUKSQPMW-GXDHUFHOSA-N 444.328 6.162 30 40 IKEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 33413366 QNFKHVZSHRRRCL-ONEGZZNKSA-N 428.159 6.840 30 40 IKEB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 33831797 UKAIYBGRLWQHDQ-KWRVYEIKSA-N 440.712 7.348 30 40 IKEB biogenic,in-vitro N#Cc1cccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)c1 35425499 IIZVUBZFOVSLTE-QFIPXVFZSA-N 429.524 5.052 30 40 IKEB biogenic,in-vitro CCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102803089 XINCQOIJQABJQG-AYWGPLOBSA-N 447.918 5.673 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl 102930994 HJHGJWDSOMTVAL-MRJHHRETSA-N 438.310 5.928 30 40 IKEB CCCCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC)S/C1=N\c1ccc(C)cc1 408909066 BWROYCKJRDWYQL-DBSKITMISA-N 428.985 6.451 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c(C)c1 408915575 YCIUPQNFNJTMJI-BIZUNTBRSA-N 436.643 7.929 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)c1C 408964745 DPRZLCUAOFCNFG-SIFMURAYSA-N 429.589 6.280 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OC)c1OCc1ccc(F)cc1 409087866 IFXYNYFVYPJMDR-DEDYPNTBSA-N 427.497 5.198 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 409217366 PMGYOVQXWNMCEW-FDAWAROLSA-N 435.954 8.284 30 40 IKEB CN(C)c1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 409278153 CYTOAFXWMPRFFM-UHFFFAOYSA-N 436.437 5.031 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C(C)C)OC3 1245848 ZHSQQFRKGJRADX-GOSISDBHSA-N 426.607 5.272 30 40 IKEB CCCCCCCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 2378276 OZWOGNRBGJQJRQ-UHFFFAOYSA-N 430.552 5.884 30 40 IKEB Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3)oc2c1 3050039 UGEGBPMPBARUDQ-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB Cc1cccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c1C 3081510 ABOSHFVVARWTRU-OCHMLHLXSA-N 434.333 6.435 30 40 IKEB Cc1ccccc1S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C#N 3104532 CNAPUXNPVDQKDK-UHFFFAOYSA-N 445.327 5.259 30 40 IKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc2ccccc12 10130542 UDKNURDMJMJJTF-UHFFFAOYSA-N 434.491 6.280 30 40 IKEB COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1c(Cl)cccc1Cl 12950860 OSUZGKQOCFHSAM-AUEPDCJTSA-N 438.698 5.170 30 40 IKEB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N=C2O)cc1C 13785470 BHWDXUGRKZDAQU-MOSHPQCFSA-N 433.558 5.742 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(-c2ccccc2)cc1 15305149 GGEAHDKGRSYXTQ-MHZLTWQESA-N 430.551 7.102 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 19630398 VSKLXCJSVVBUIF-CMJOXMDJSA-N 439.602 5.657 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3cccc(C)c3C)c2c1 28182406 SLRYTANBOJPMOU-UHFFFAOYSA-N 441.527 6.932 30 40 IKEB biogenic C1=C(Nc2ccccc2)/C(=N\c2ccccc2)C=C(Nc2ccccc2)/C1=N/c1ccccc1 59880784 IDDYUZBZSSUAGK-VPROMNBDSA-N 440.550 7.537 30 40 IKEB CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 100070269 PFXPQEDFTBZRFD-VULFUBBASA-N 448.931 6.483 30 40 IKEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102625856 CDPGZSMPWXGRIE-YDJIHCHBSA-N 442.273 5.759 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2cccc(Cl)c2)sc1C 102927251 WXJIVONQSKYAPY-IBOXJLQUSA-N 430.938 5.101 30 40 IKEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1OC 106717930 BIGPMOYISWQFPJ-ODLFYWEKSA-N 448.327 5.251 30 40 IKEB C=CCn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c2ccccc21 408632409 FPXVHTOXGCXRAM-UNOMPAQXSA-N 437.908 5.749 30 40 IKEB O=S(=O)(NCc1ccc(/C=N/c2cccc(C(F)(F)F)c2)o1)c1ccc(Cl)cc1 408772485 LZOHBLVURIGMEZ-BHGWPJFGSA-N 442.846 5.181 30 40 IKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(Br)cc1 408774307 UQOXADNEIGPTAH-UUYOSTAYSA-N 432.159 6.370 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 408907071 LMRSSDBJANRJGJ-STWUOGDHSA-N 428.557 6.451 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OC 408963403 ZGWCTHCAGRUIPM-HWQJWEFDSA-N 434.920 5.557 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1C 409212631 RPVNRBAOFGYXBW-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O 409233340 FQXYTXZZJFFVGO-NDENLUEZSA-N 427.957 5.231 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl 815897 SRSOJXJDJDRYLG-LFBSBKMHSA-N 431.319 5.224 30 40 IKEB N#Cc1c(/N=C/c2cc(Br)cc(Br)c2O)sc2c1CCCC2 1955825 REOIEMWVTYTIGF-DNTJNYDQSA-N 440.160 5.480 30 40 IKEB CCOc1ccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2ccc(OCC)cc2)cc1 2854202 LXLMGRXYJQOHBY-RWRHWQIFSA-N 448.566 7.652 30 40 IKEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1cccs1)-c1ccccc1C2=O 8411818 BLIRSHDZPHXMCO-UHFFFAOYSA-N 438.533 5.868 30 40 IKEB N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc(-c2cccs2)c2c1CCCC2 8986470 VYSSCQKSSVMKKB-UHFFFAOYSA-N 431.413 7.160 30 40 IKEB O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccccc1)c1cc(Cl)ccc1Cl 9403317 HCBHORLPSZDZIP-UHFFFAOYSA-O 436.771 5.985 30 40 IKEB O=C(/C(=C(\S)Nc1ccccc1F)[n+]1ccccc1)c1ccc(-c2ccccc2)cc1 9425362 YUXSRNBQPXVBAN-UHFFFAOYSA-O 427.524 5.831 30 40 IKEB COc1ccccc1CN1Cc2cc3c(C)ccc(C)c3nc2S/C1=N/C[C@H]1CCCO1 13562179 YAFRQDZKKMPZOU-CWHMERMBSA-N 447.604 5.503 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 13600871 KJZCEIBBKCYJNY-VCHYOVAHSA-N 436.385 5.960 30 40 IKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3c(Cl)cc(Cl)cc3Cl)o2)c1 13896115 CKALSSUYZLXPJF-GZIVZEMBSA-N 445.089 6.914 30 40 IKEB CSc1cccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)c1 32984348 DIJQUMWWSHQEPK-UHFFFAOYSA-N 439.533 5.506 30 40 IKEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2c1 35289742 FXGYGZARTZXYRC-UHFFFAOYSA-N 448.573 5.048 30 40 IKEB CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)CC(C)(C)CC1=O 100140103 GTPOHGYCKBLNLH-UHFFFAOYSA-N 436.474 5.129 30 40 IKEB O=c1c(/C=N/C2CCCCCCC2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 102261300 LCOQGMQPGYDEEH-YZSQISJMSA-N 430.577 5.974 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 102932773 RLERMIWFBYDRCK-ASBZNUFUSA-N 430.485 5.132 30 40 IKEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCc1cccc(F)c1 135751682 FTPXLSCKJZDFHU-YEWWOHFJSA-N 440.521 5.288 30 40 IKEB C=CCOc1c(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cccc1OC 408526299 ANOIFNQEXKLPLH-PDGQHHTCSA-N 429.588 5.388 30 40 IKEB CC(C)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccccc1 408911290 MSUVYZXIZCZUBS-NFEGURHZSA-N 433.489 5.867 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl 408938618 LEVWEVSHASTCOE-VGFAGTAPSA-N 442.990 7.624 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)S2)cc1 408951231 IJRIOCYYAHJPES-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB Brc1cc(/C=N/c2cccc3ccccc23)oc1I 408951680 JPRIHCBKUGEXEQ-GIJQJNRQSA-N 426.051 5.551 30 40 IKEB Cc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(F)cc3)N(C)C2=O)cc1Cl 409017406 ZHHAZEYGEVLBAE-MJBUPYINSA-N 425.916 5.812 30 40 IKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(-c2ccccc2)cc1 409105025 HTJQJEOYAMOUHN-MNDYBZJGSA-N 434.465 6.621 30 40 IKEB CC1([C@@](O)(C#CC[N+]2(Cc3ccccc3Cl)CCCCC2)c2ccccc2)CCCC1 1769794 XTJXAOZIKNZHHU-MUUNZHRXSA-N 437.047 6.312 30 40 IKEB CCOc1cccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1O 3202468 TYHZVJXWDPTMHV-ZMOGYAJESA-N 437.293 6.112 30 40 IKEB C[C@@H](/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1 8926058 NHIVKJVPLGQPJF-RQUVDQPWSA-N 429.567 7.222 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 9007936 FZEOTGVBCDNKDA-HXUWFJFHSA-N 430.485 5.289 30 40 IKEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9281444 OEZQUKJEMCRQHK-FBHDLOMBSA-N 441.266 5.837 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3n2C(C)C)n(Cc2ccco2)c1C 9467440 CPDIIEMULPPGAW-UHFFFAOYSA-N 447.564 5.279 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc4ccccc4n32)cc1OC 19633756 QXKNAJZWGQTVGP-CPJLOUKISA-N 441.487 5.062 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccc(F)cc1 33905967 SVOJEHXKRCNGSE-QUOYTPRUSA-N 429.542 5.218 30 40 IKEB COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(Cl)c(Cl)c1 78549524 FEEPHGRPKJSATG-MRXNPFEDSA-N 443.334 5.051 30 40 IKEB CCCN(C/C(O)=N/c1ccccc1C(=O)c1ccccc1)Cc1nnc(-c2ccco2)o1 82050027 ZNVLEPHURURJAP-UHFFFAOYSA-N 444.491 5.061 30 40 IKEB CC(=O)N(c1nc(/C=C2/CCOc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F 96129812 AMTZHCDQPTVLJV-JYRVWZFOSA-N 444.434 5.294 30 40 IKEB C/C(=N\c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(Cl)c(Cl)c1 101559459 WLZZYKMNNYTREI-MUFRIFMGSA-N 431.322 7.933 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)ccc1O 408761588 GPBZOMJTQVYCRO-YVLHZVERSA-N 447.354 5.062 30 40 IKEB Cc1cc(C)c(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)c1 408765212 OMIGTTWPEHEHCI-ZDLGFXPLSA-N 429.383 5.883 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 408820472 XXNSLLHKYBVBIQ-MOSHPQCFSA-N 443.952 5.712 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)nc1 408908817 DHQCIFFTGAZFBG-MRUKODCESA-N 440.290 5.746 30 40 IKEB CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 408917667 ZOTQVKDFBHUIFD-JWMLTMDESA-N 427.529 6.058 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(OC)c1OC 408938799 RPHGNXZYNHJXIC-YLSYNAGFSA-N 440.543 6.290 30 40 IKEB Cc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408965800 IQPNDONCPRBJRA-UZWMFBFFSA-N 446.594 8.555 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OCC 409070865 NLLCHZSAKQQSDO-ZMOGYAJESA-N 447.398 6.199 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OCC 409085409 ZGYMDQOSPMWEHR-AQTBWJFISA-N 434.989 5.036 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1cccc2ccccc12 409114524 GVQACKIRTONOLQ-UHFFFAOYSA-N 437.583 7.385 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1cccc2ccccc12 409117652 PTPJKBPZUTVGBT-UHFFFAOYSA-N 437.583 7.385 30 40 IKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 2134714 JONRCRQRQIPHPJ-IZVPMIMASA-N 444.870 5.883 30 40 IKEB biogenic COc1ccc(N2C(=O)N[C@](c3ccccc3)(C(F)(F)F)S/C2=N\C(C)(C)C)cc1 3197226 SAZVCVPUFLNCES-XGDNCFSYSA-N 437.487 5.528 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 8440067 ATQYDIYZLYDUPD-VWLOTQADSA-N 439.555 6.071 30 40 IKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 9305195 ZYWLIPCLIKKAIW-QWQNUTRASA-N 437.278 6.228 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 9419470 GEWVICORMDHARV-OYKKKHCWSA-N 434.513 5.502 30 40 IKEB CC(C)(C)c1cc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc(C(C)(C)C)c1O 9426242 UPWVVADXUFESIV-FOKLQQMPSA-N 449.345 6.114 30 40 IKEB CCOC(=O)c1c(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)sc(C)c1C 12436848 XKBZEPJSCBHDQJ-AUEPDCJTSA-N 442.493 5.531 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 12486219 ANMSONZOHGCQJK-JOCHJYFZSA-N 448.906 5.225 30 40 IKEB C=C(C)C/N=c1\scc(-c2ccc(C)cc2)n1/N=C(\C)c1ccc(C2CCCCC2)cc1 12602412 JRGWBLDSWVCQMO-SYURPLLKSA-N 443.660 7.322 30 40 IKEB Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\Cc2ccccc2)c1 13286058 MICJGFDZXCOTBN-SLJQUXCSSA-N 443.597 6.042 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O 14009041 BGOFCPTWTLESKZ-OBUXZSPNSA-N 432.545 5.489 30 40 IKEB CCN(CC)c1ccc(/C=C2/CC(C)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 33399584 SFXPLYOSNTZJFW-GLGFVMGMSA-N 430.636 6.845 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1Cl)c1cccs1 85409835 REPMWPWILFOHQX-CQSZACIVSA-N 437.329 5.294 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)n1nc(SCc3ccccc3F)nc1N2 96319731 ZANBSNHVQUHHKS-FQEVSTJZSA-N 440.931 5.385 30 40 IKEB CC[C@@H](C)C(=O)NC(Nc1ccc(Cl)cc1C(F)(F)F)(C(F)(F)F)C(F)(F)F 97949538 YQXCIRVPBXTMRV-SSDOTTSWSA-N 444.725 5.754 30 40 IKEB CCOC(=O)/C(=C\NC(=S)Nc1c(CC)cccc1C(C)(C)C)C(=O)c1ccccc1 104302080 JDKNOSQTBVKGBE-MNDPQUGUSA-N 438.593 5.163 30 40 IKEB O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F 169795682 GQEHFXLWAOCOCA-UHFFFAOYSA-N 440.127 5.196 30 40 IKEB C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1 408594666 UQHOFPNWGBTDMD-WPWMEQJKSA-N 446.503 5.852 30 40 IKEB COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1OC 408721838 ADXKTIRJGUZCDE-MFKUBSTISA-N 445.500 6.153 30 40 IKEB CC(C)c1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Br)NC2=O)cc1 408752910 LTMWINBEOIRWMD-RQZCQDPDSA-N 446.326 5.372 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4cc(C)cc(C)c4)NC3=O)c2c1 408786917 XLTGZXQLURIWCF-IWIPYMOSSA-N 446.572 6.146 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 408861202 PHANRYGBNKQGAF-OGEDYZLTSA-N 445.415 7.176 30 40 IKEB Cc1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933953 BVXPLDBSWWRABW-VROXFSQNSA-N 431.275 5.548 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408961900 PGSWHXOQMSKALH-FYJGNVAPSA-N 449.463 5.205 30 40 IKEB C=CCOc1ccc(/C=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 408977372 VQHPSHCYFBQKPH-MTDXEUNCSA-N 439.584 7.105 30 40 IKEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 409057198 UUZLDQVHDQEXDO-LSFURLLWSA-N 436.320 5.432 30 40 IKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(F)c1 409120291 VHUOSDUPHPVGGB-UHFFFAOYSA-N 435.539 6.543 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 409213076 OHBPADYGSXTKFS-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1 409217211 OBCSXZCGYDOMDM-DHRITJCHSA-N 444.756 6.749 30 40 IKEB CCCC[C@@H](CC)COC(=O)C[N+](C)(C)CCOC(c1ccccc1)c1ccccc1 6379576 AWBMWEBGBHIOOZ-HSZRJFAPSA-N 426.621 5.629 30 40 IKEB Cc1cc(/C=N/Nc2cccc3cccnc23)cc(/C=N/Nc2cccc3cccnc23)c1O 8400275 CAJKUNQVRKQFLC-RVSCTIAXSA-N 446.514 5.689 30 40 IKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCCCOc1ccccc1 8451238 ASLFHBQSIIUGEU-UHFFFAOYSA-N 446.572 7.049 30 40 IKEB CCN(CC)c1nc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1C#N 8762241 HJAXPFCUNASHGS-UHFFFAOYSA-N 442.510 6.173 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)SC1=S 8983775 RATOWRWPHQWHRD-WQRHYEAKSA-N 446.937 5.214 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 9374700 UEUMNXDYKVRGFQ-QHCPKHFHSA-N 431.919 5.469 30 40 IKEB COc1cc(/C=N/Nc2nc(Cl)c(Cl)cc2Cl)ccc1OC(=O)c1ccco1 12640699 ZQZZGJRVLMKDCQ-LSFURLLWSA-N 440.670 5.309 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4o3)c2C#N)C1 14067250 ILEYXPKEPBMTBQ-CYBMUJFWSA-N 425.579 5.643 30 40 IKEB Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C1(CCC2)SCCS1 16739541 GXRXPALOPRTNCK-UHFFFAOYSA-N 447.581 6.315 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1F 16741221 GKWWIEPEERDZRD-DEOSSOPVSA-N 444.506 5.431 30 40 IKEB CCN(CC)c1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 20602268 XLLVCEWUWMRFCJ-QYVZOCOESA-N 443.635 6.570 30 40 IKEB C=CCc1ccccc1OCCCCn1c(CSc2ccccc2)nc2ccccc21 35143425 ZNMLECODSOCCNE-UHFFFAOYSA-N 428.601 6.916 30 40 IKEB CCCCCCCc1ccc(/C=C/c2noc(-c3ccc(Br)cc3)n2)cc1 97958644 JWKJQKIKQLWOAG-SFQUDFHCSA-N 425.370 7.182 30 40 IKEB CCCCCCCCCCCOC(=O)COCC(=O)OCCCCCCCCCCC 100311927 VWZAKKVCMZCXDV-UHFFFAOYSA-N 442.681 7.151 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1 102728708 YQYVRQNEOWQWCO-ZHHPLPSFSA-N 442.471 5.479 30 40 IKEB Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccco2)cc1 105757785 VLVDAZOIXWWVEG-RGCCPRADSA-N 447.560 5.365 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123263935 JVBJMRIVVNLPKI-POUQWRQJSA-N 433.677 6.024 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(OCC)c1OCC 214346594 UWQPPYFZJNJEGV-KGENOOAVSA-N 441.524 5.588 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)cc3)S2)c1 408785593 HTVMNHRPMJCUOU-HMAPJEAMSA-N 444.512 5.164 30 40 IKEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409044747 HORHWRABRJCWLV-ZMOGYAJESA-N 439.855 5.025 30 40 IKEB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(OCC)c2)C1=O 409064288 BXEPFNTUIXLODP-HMAPJEAMSA-N 436.533 5.372 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1 409069451 KXYHJSJNGMEMEZ-SSDVNMTOSA-N 447.672 6.259 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3c(CC)cccc23)C1=O 409125895 AELYHUBPLNREQQ-BKUYFWCQSA-N 434.948 5.575 30 40 IKEB Cc1sc(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)nc1-c1ccccc1 409180332 QVMDXSIPBYCBFI-RDRPBHBLSA-N 449.579 7.297 30 40 IKEB Cc1ccc(C=Nn2c(-c3cc4cc(Br)ccc4o3)nc3ccccc3c2=O)o1 409291996 ZDFHAUIVTQVKBU-UHFFFAOYSA-N 448.276 5.356 30 40 IKEB CC(C)(C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409407494 UGMMRZNNRQELMG-UHFFFAOYSA-N 442.475 5.031 30 40 IKEB CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC 653970 VBFOZFKPZMPSHO-UHFFFAOYSA-N 437.580 5.457 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1 2454164 JHHKYHRFIXQUHT-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB Cc1ccc(C(C)C)c(OCCCOc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)c1 9113065 TZJDMCVEKVXTLC-OVVQPSECSA-N 447.535 6.321 30 40 IKEB CCOC(=O)[C@@](C#N)(Cc1c(F)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl 9530655 OOSISOAQXUCCMB-QGZVFWFLSA-N 435.204 5.113 30 40 IKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccc(OC)cc3)c3ccc(O)c(C)c3O2)N1 12716882 RYQIQTFWSRHYSV-CJFMBICVSA-N 438.593 5.367 30 40 IKEB C/C(=N\Nc1cc(C(F)(F)F)nc(-c2ccccc2)n1)c1ccc(Br)cc1 13563099 NYONEBBHSYCQPP-RPPGKUMJSA-N 435.247 5.761 30 40 IKEB N#Cc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 14358091 BPCDWANYMOEGSG-UHFFFAOYSA-N 448.544 5.666 30 40 IKEB CCOc1ccccc1NC(=O)c1c(/N=C\c2sccc2C)sc2c1CCCCC2 15945623 BRUXYNJBJZBKEK-MYYYXRDXSA-N 438.618 6.789 30 40 IKEB CC[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)/C(=N/c2cccc(OC)c2)S1 18096115 AIBDGDCKNZTOLP-SKWYYERQSA-N 430.573 5.869 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3cc([N+](=O)[O-])ccc3Cl)C2=C(O)C1 18143552 FHNUQLHNFJIHEW-LJQANCHMSA-N 434.879 6.026 30 40 IKEB Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1C 21722823 AGQWWMJHABFVAB-RUZDIDTESA-N 448.544 5.266 30 40 IKEB CCOC(=O)C(C)(/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C)/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C 100366576 HTMLPIZSIGYYRQ-VOWBOHFYSA-N 426.597 5.459 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)sc1C 102800345 RQNQQYQBGQKQKM-UYTDBDHRSA-N 430.938 5.101 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=N)[C@H](c4nccs4)C3=O)c2C)cc1Cl 136855936 PJEDWEMBGXMQMM-PPYVRHORSA-N 427.982 5.930 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)S/C1=N/c1ccccc1 223470838 TXELPTIDTKVTDG-YUBLGUFESA-N 431.605 6.332 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 253501191 MHAVMNJPXLZEIG-HQFMZJCSSA-N 438.696 7.412 30 40 IKEB biogenic,in-vitro C=CCOc1c(Br)cc(CNc2ccc(Br)cc2C)cc1OC 408614161 ZFBWUMKAQDQVHE-UHFFFAOYSA-N 441.163 5.706 30 40 IKEB CCc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 408702423 CHRBQLBXVHDCAL-BEWKRWDNSA-N 433.548 5.042 30 40 IKEB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1CCc1ccccc1 408914406 WPUYKFBRJCSLNW-AIQBXGKYSA-N 429.501 5.442 30 40 IKEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc(Cl)c1OCc1cccc(C)c1 408932836 ZVIXEAGCVBXZJF-QDTIIGTASA-N 448.872 6.701 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)c(C)c2)cc1 409208391 FRMSPNGMAFTJTI-WPWMEQJKSA-N 429.541 6.283 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1 409214655 ZFMVXGPOYFMLEV-VULFUBBASA-N 438.365 6.713 30 40 IKEB N#Cc1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1 1083811811 RUPQWLRDMUUQNG-UHFFFAOYSA-N 433.192 5.379 30 40 IKEB COc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC)cc2)=C2SCCS2)cc1 1086428 NEZJZZJLKJLEFJ-FNCQTZNRSA-N 438.570 5.260 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 3014378 UCDDJSZWJIRBHU-HXUWFJFHSA-N 446.385 5.396 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C 6444576 PTHVLYUCAXUJBI-XMMPIXPASA-N 430.548 5.246 30 40 IKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])s1 8994637 GBYGBVGDGOQLFP-OAQYLSRUSA-N 439.537 5.455 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 9272551 BFUIAKWTQHXSHY-HSZRJFAPSA-N 431.919 6.246 30 40 IKEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 9370650 QAWKLARQMMWEKW-QFIPXVFZSA-N 449.890 5.140 30 40 IKEB C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 9410252 QTUVQJSRVSPSKJ-UHFFFAOYSA-N 435.833 5.726 30 40 IKEB biogenic CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OC(C)C 10119117 FHSOTXURJRAPPV-FSJBWODESA-N 425.754 5.412 30 40 IKEB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 12563322 XFSKRFCYHYNTOB-MZJWZYIUSA-N 447.892 5.899 30 40 IKEB Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c2c1C 13454046 JETLZMWXRUDZGC-JTQLQIEISA-N 428.608 5.097 30 40 IKEB O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccccc2C(F)(F)F)c1O 16450170 OGPOJHAYTINJQW-RPPGKUMJSA-N 434.801 6.314 30 40 IKEB CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc2[N+](=O)[O-])CC1 57315914 CIGHRVUKZWORFS-HNNXBMFYSA-N 438.553 5.141 30 40 IKEB CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OCC)c1 59484235 MXJCEYIFGMPEKH-OVVQPSECSA-N 443.572 6.721 30 40 IKEB CCCCCCCCCCOc1ccc(-c2ccc(CCCCCCC)cn2)cc1F 100497645 VEZLMTOIDRDCMB-UHFFFAOYSA-N 427.648 8.920 30 40 IKEB NC1=C(c2nc3ccccc3s2)C(=O)[C@@H](c2ccccc2)N1CCc1ccc(Cl)cc1 102948889 BFEJYERATGLZED-JOCHJYFZSA-N 445.975 5.446 30 40 IKEB Cc1ccc(C23C[C@H]4C[C@@H](CC(C/N=C/c5cc(Cl)cc([N+](=O)[O-])c5O)(C4)C2)C3)cc1 103454351 BGYUSPNZSOOALK-CYFXJHSVSA-N 438.955 6.219 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 224372381 LYAVNWHXFZGCTE-UHFFFAOYSA-N 440.952 5.282 30 40 IKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(F)(F)F 225955477 UGMWDHNWQRMQOO-UHFFFAOYSA-N 437.889 6.764 30 40 IKEB COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1OC 245228976 KJCBMTPITIADGL-SFPBCYQOSA-N 432.564 5.741 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(Cc2ccncc2)CC1 257328419 XFOIUFMXURBRSH-UHFFFAOYSA-N 439.603 5.184 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCCC3)o2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408857000 MMFYTTVLFROKTD-MELLALHUSA-N 443.572 6.074 30 40 IKEB CCc1nnc(S)n1/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408864471 WEDYANFJNHNOSS-AUEPDCJTSA-N 430.364 5.321 30 40 IKEB C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCCC)C2=O)cccc1OC 408915000 WNHYNDKFTPRTQD-RZZGQMAMSA-N 436.577 5.973 30 40 IKEB Oc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1Br 408980337 VNOFQONPEMVGGU-ZMOGYAJESA-N 441.394 7.077 30 40 IKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409118946 VIELRXAUAUWMMB-UHFFFAOYSA-N 448.519 5.922 30 40 IKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S/C1=N/c1ccc(OC)cc1 409238290 WRRZQCRVDWOIDP-IVCURSBOSA-N 431.561 5.727 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccs4)nc3c1[C@@H]2c1ccccc1 2417245 YTBGEMBZTTWNQV-GOSISDBHSA-N 428.517 5.020 30 40 IKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(C)n(-c5ccccc5F)c4C)cc3)sc2c1 3173057 ZYIUFUPASMVIPD-MUFRIFMGSA-N 439.559 7.569 30 40 IKEB C=CCSC1=N[C@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 3671902 NYARXXACJSSEKL-SBUREZEXSA-N 428.985 5.703 30 40 IKEB CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC 6078103 VTFLLRAXIIQIHX-SANMLTNESA-N 448.563 5.647 30 40 IKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)N1 6232565 OVYRVZAGYCMZGR-AUSIDOKSSA-N 428.985 5.703 30 40 IKEB C=CCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C 8934122 FWFBMORQGDLJPJ-SFHVURJKSA-N 449.338 5.449 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 9019859 FMELKJBETFZWAA-HXUWFJFHSA-N 425.818 5.401 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2ccc(I)cc2)o1 9262029 KSEISMKTKWDQQQ-RGVLZGJSSA-N 447.232 5.214 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccccc4F)c3C)C1=O)cn2C 9423644 RNZYUJBZGAKCMM-BRJLIKDPSA-N 443.474 5.830 30 40 IKEB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)cc1 9507756 GWOGBUVWIUWAIY-UHFFFAOYSA-N 447.564 5.061 30 40 IKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1)c1c(C)cccc1C 12810576 SRDPRZRZEGAVGA-CSKARUKUSA-N 445.371 6.647 30 40 IKEB N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 13151579 DXZKBSBAKOSVPN-UHFFFAOYSA-N 445.525 5.411 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1C 16804839 KQZBNVXCBKXCQO-QHCPKHFHSA-N 446.478 5.101 30 40 IKEB O=S(=O)(N/N=C\c1ccc(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl 17379842 DWTDAHZAAFLAKG-SWNXQHNESA-N 432.543 5.266 30 40 IKEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)CCC4CCCCC4)sc3C)cc21 19820219 AMUKXSZXMSNJET-UHFFFAOYSA-N 439.581 5.329 30 40 IKEB Cc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 26965142 DEXKREAHOJLSFW-ROMGYVFFSA-N 434.952 5.611 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Br)cc1 33685446 AQSNJAXHSCHWHO-UHFFFAOYSA-N 444.398 5.715 30 40 IKEB COc1ccc(-c2cc(C(F)F)nc(Nc3sc4c(c3C#N)CCCC4)n2)cc1OC 36613668 SFFNXGXGTBBPOK-UHFFFAOYSA-N 442.491 5.654 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)s2)cc1 59464320 QWKZEJALTPAVPC-WGOQTCKBSA-N 430.529 6.254 30 40 IKEB CCOc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2ccccc2)cc1 102595109 RWRNKYRPZNKWEG-VZGYBGPVSA-N 425.484 5.268 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccc(Cl)cc1 102874858 RWZHOZJUQOQWQP-YDJIHCHBSA-N 439.298 5.010 30 40 IKEB CC(C)(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102876752 TUTRMMMLFJNFFY-ZHHPLPSFSA-N 426.516 5.001 30 40 IKEB Cc1ccc(C(=O)/C=C2/Nc3ccc([N+](=O)[O-])cc3N/C2=C/C(=O)c2ccc(C)cc2)cc1 102896292 ORXNONNFHLAHLN-OZEVPFDHSA-N 439.471 5.583 30 40 IKEB CCCOC(=O)c1nc(N(CC2CCCCC2)C(=O)NC)sc1/N=C\c1ccccc1 104249681 RDBNCCPXPVIYCL-MYYYXRDXSA-N 442.585 5.187 30 40 IKEB CCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1 299888817 YTROSRDQDVVBJC-BLEWTQTASA-N 429.604 7.544 30 40 IKEB Cc1cc(/C=C2\Sc3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1Cl 408847468 MPMNFLVYFSGMOZ-JJFYIABZSA-N 441.379 7.519 30 40 IKEB CCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)S/C1=N\c1ccc(C)cc1 408906967 FICHKIMSKNYASA-PPSMZDETSA-N 445.338 5.110 30 40 IKEB O=C(Oc1cccc(/C=N/Nc2nc(-c3ccc(F)cc3)cs2)c1)c1ccccc1F 408948580 CWUUZHNAYUADQB-LGJNPRDNSA-N 435.455 5.754 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 408953024 NYPGNQHTWUKVFJ-LFVJCYFKSA-N 444.556 5.864 30 40 IKEB O=C1CS/C(=N/N=C/c2ccc(Br)cc2)N1Cc1cccc2ccccc12 2337635 HUBUMFQFTVPSRZ-BZCDASSZSA-N 438.350 5.068 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(O)=NC2(C(F)(F)F)C(F)(F)F 2367842 JPLIYAATNCPMGZ-UHFFFAOYSA-N 440.771 5.581 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 8820991 INEQPPHIEOOFPU-YBFXNURJSA-N 429.328 6.453 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@@H]3c2ccc(Cl)cc2)cc1 10035303 XUAGXEOBLFQHEV-HFJWLAOPSA-N 447.987 7.008 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N\c1ccc(Br)cc1 12428965 CVXMCWODKNBQFO-IDUWFGFVSA-N 433.925 5.430 30 40 IKEB COCC/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C1\CCCCc2ccccc21 12563555 URJQYXHNFOLVPX-GDBNUEIYSA-N 425.985 5.396 30 40 IKEB N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)nc1 12748654 XWGVQRKTIPNONQ-UHFFFAOYSA-N 438.343 5.718 30 40 IKEB Cc1csc([C@H](C#N)C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 13074845 WKGUQSOQNQRCML-GOSISDBHSA-N 431.542 5.742 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(OC)cc1 13804917 KGWXJVWJIBIDAN-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C(C)(C)C)cc1 13804958 XLKNKNPXJSMQGZ-UHFFFAOYSA-N 434.609 5.776 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 13914967 DODPBQFRKSZQEO-PDGQHHTCSA-N 431.717 5.473 30 40 IKEB C=CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccccc2)cs1 14055186 XSKLPHGWIIFICY-UHFFFAOYSA-N 444.560 5.387 30 40 IKEB O=[N+]([O-])c1ccc(/C=N/Nc2n[nH]c3nnc(-c4ccccc4)c(-c4ccccc4)c23)cc1 16492349 NJXRMPOENQHROD-MFKUBSTISA-N 435.447 5.041 30 40 IKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(OC)c2O)c1 16637023 KQEPWHLCHKUWPH-UFFVCSGVSA-N 425.710 5.306 30 40 IKEB O=[N+]([O-])C(=C\Nc1ccc(C2CCCCC2)cc1)/C=N/c1ccc(C2CCCCC2)cc1 100700156 LEOQHCSULHBRTG-MMNQROFBSA-N 431.580 7.715 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccc(C)c(C)c1 102150655 GDSRHAUEMVYARF-YJOHERITSA-N 444.025 6.341 30 40 IKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 118923926 SUISKBUAOOSHAW-CVJPPJECSA-N 444.612 5.265 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 408591785 KMTRMBMLEIGOEE-YDZHTSKRSA-N 441.281 5.487 30 40 IKEB Cn1c(N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)nc2ccccc21 408657715 NLXXDMGKSJSMOQ-ZVHZXABRSA-N 435.325 5.361 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)cc1 408774807 XOOWYQIMWFDLML-MOSHPQCFSA-N 446.488 5.236 30 40 IKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N([C@@H](C)c2ccccc2)C1=O 408906460 BQLFIWXXSIPCBS-PEBOIGEYSA-N 428.557 6.451 30 40 IKEB N#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 408969859 VQVZPGSGOMSKAO-MTDXEUNCSA-N 443.572 6.312 30 40 IKEB C=CCN1C(=O)S/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O 409147758 WCYGECDKLPPWFH-STZFKDTASA-N 438.936 5.596 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1O[C@@H](C)CC 409208946 AYSBCHOBMUZNKF-ACYAHPIESA-N 439.021 6.005 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 721888 JHZIQNXEODGTCH-JRPXNJEYSA-N 447.534 6.621 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(F)cc1 2362462 KKXQRMGNIGWSQH-UHFFFAOYSA-N 430.936 5.271 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 8430519 PNGNWPJWZXHUKW-NPMABZOXSA-N 441.383 7.034 30 40 IKEB Cc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2C#N)cc1 8446055 XYMWGYIKAXTKTQ-UHFFFAOYSA-N 434.564 6.879 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 9261297 MHLVNAVXAAAOCB-GZTJUZNOSA-N 446.981 6.583 30 40 IKEB COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c(OC)c1OC 9283693 LMEJGBCXUCDHEW-SDXDJHTJSA-N 431.513 5.746 30 40 IKEB COc1ccc(-c2csc(N3N=C(C)/C(=N/Nc4ccc5ccccc5c4)C3=O)n2)cc1 9434973 VAHYLJQLCQRQAH-QYQHSDTDSA-N 441.516 5.163 30 40 IKEB Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccccc2)c(C)n1-c1ccccc1 9562981 FDCIPLOSSULZMG-UHFFFAOYSA-O 426.565 5.433 30 40 IKEB CCCC/N=C1\S/C(=C\c2cccc(OCc3ccc(C)cc3)c2)C(=O)N1CCCC 12275034 ASGLHUZLUUMKII-DZNDYGJHSA-N 436.621 6.447 30 40 IKEB CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 12364933 STMQGGLWSSQXCU-BDTNDASRSA-N 449.476 5.848 30 40 IKEB Cc1c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 14134279 KLTWPDOFYMBBDS-UVHMKAGCSA-N 448.357 6.627 30 40 IKEB C=CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Br 16161884 AMFZFKFGBQGKPC-CNSVBDKNSA-N 445.382 5.176 30 40 IKEB CCCCn1c(/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 18120939 LJOIKMBDMABBKI-NLRVBDNBSA-N 446.576 5.696 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccco1 21722422 YNGBYQYKMGEOMO-DEOSSOPVSA-N 430.479 5.876 30 40 IKEB CN1/C(=C\C(=O)CSc2ncc(C(F)(F)F)cc2Cl)C(C)(C)c2ccccc21 25389005 UHDCKBCKUYYEMY-MFOYZWKCSA-N 426.891 5.727 30 40 IKEB N#CCN(Cc1ccccc1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S 40155488 CKPNAIBIJUSRSL-UHFFFAOYSA-N 429.524 5.193 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 102720582 CZGHKPKGYRKNFM-MOBKVPTQSA-N 440.524 5.485 30 40 IKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 102929072 AYBPWPNXBJNANW-YDJIHCHBSA-N 448.475 5.272 30 40 IKEB CCCCCCCCCCCCNC(=S)N/N=C\c1cc(Br)ccc1O 104380308 KVWDSZNHQQQTSW-KQWNVCNZSA-N 442.467 5.874 30 40 IKEB CO/N=C(/C)[C@H]1/C(=N/OC)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118913928 KLCZPBNZZJGNRW-MVMQCHERSA-N 432.605 5.212 30 40 IKEB biogenic,in-vitro CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2[C@@H](C)CC1(C)C 198101810 ZGGDOMBPCSUJOS-DDBXXPGKSA-N 442.603 7.659 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccccc1/N=C/c1cccnc1Cl 215719610 PGTXYAHKAXNBKU-WEPAEKJRSA-N 444.387 6.567 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3n2C)ccc1OCc1ccccc1Cl 408661529 QTNHNHBWLRUJQZ-CVKSISIWSA-N 434.927 5.650 30 40 IKEB COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2O)C2=C1CC(C)(C)CC2=O 408893628 CIYXTCZNHPASHO-UHFFFAOYSA-N 437.580 5.114 30 40 IKEB CN1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=Nc1ccccc1 409255004 XLDDQQHWVMXFKB-OFYGDPCRSA-N 441.531 6.063 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)c(C)n1C 409314074 FAPAEBMFFNTENX-UHFFFAOYSA-N 441.373 5.044 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cccc(C)c3)cc2)c1O 725317 XKHOMWKYBJAXMY-ZMOGYAJESA-N 439.309 5.475 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C(C)C)cc1 1001567 NIHKSWNBESYGTQ-PQHDRGKASA-N 449.620 6.080 30 40 IKEB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(OC(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1 1098255 NNALQVPNWYVIHB-LJQANCHMSA-N 433.495 5.234 30 40 IKEB O=S(=O)(N/N=C/c1ccc(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl 1657194 DWTDAHZAAFLAKG-KPSZGOFPSA-N 432.543 5.266 30 40 IKEB CCCCCCCCCc1nc(SCC(=N)O)c2c3c(sc2n1)COC(C)(C)C3 2228100 LTULUJKNYZKZCF-UHFFFAOYSA-N 435.659 6.463 30 40 IKEB COc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(OC)c4)c(C)c3)cc2C)c1 3087953 SZEIUSDFULKYCP-GKTLAHRSSA-N 448.566 7.489 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)ccc1Cl 3113767 SZBJXSGYSKPHSZ-YSURURNPSA-N 446.677 7.114 30 40 IKEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 3323497 BWSSZCYWHAYZLQ-UHFFFAOYSA-N 438.600 6.704 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)Nc2ccc(C)cc2)cc1 3350031 WYFXXQFMSHBTCY-WGOQTCKBSA-N 441.560 5.177 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2C#N)cc1 8441107 ZJUVHRAXJNKCJF-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB CC(C)Oc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 8738515 VDECFKOXCHAWHV-HKOYGPOVSA-N 439.555 7.336 30 40 IKEB O=C(C[n+]1ccccc1-c1nc(-c2ccc(Br)cc2)cs1)c1ccccc1 8844870 FFKKZQIGZXCOOC-UHFFFAOYSA-N 436.354 5.410 30 40 IKEB N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc(-c2cccs2)c2c1CCCC2 9554222 QQFAKSFIHZRQPD-UHFFFAOYSA-N 439.993 5.945 30 40 IKEB C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 13114907 GWKHTAVDCJCUSM-QGZVFWFLSA-N 445.592 6.332 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc12 15012600 QXBDYDYTACEPOV-OBUXZSPNSA-N 432.545 5.489 30 40 IKEB CC/C(C)=N\Nc1nc2c(Cl)c3sc(N/N=C(\C)CC)nc3c(Cl)c2s1 72228982 WJWKHKHXPHYXOC-OXGXFOOWSA-N 429.402 6.608 30 40 IKEB C=C1CC(C(=O)N[C@@H](c2ccc3ccc(-c4ccccc4)nc3c2)c2nccnc2Cl)C1 95080577 FINPDKQWUZMKLI-QHCPKHFHSA-N 440.934 5.517 30 40 IKEB N#CCCN1N=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 96840105 UJFLGJUBFUBWQV-PLRJNAJWSA-N 443.510 5.083 30 40 IKEB CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC(F)F)cc1 102961955 NSMRBIFQENEVOQ-OIMCNTJKSA-N 447.507 5.047 30 40 IKEB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C1 215683157 ZSIQWMODTAAERP-BETUJISGSA-N 439.528 5.297 30 40 IKEB CCOc1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 408734236 KMJLOJGXUXVONS-CVKSISIWSA-N 435.932 6.923 30 40 IKEB Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccc(C)cc4)cs3)cc2)cc1 408737162 MIYBXERQRGPRDE-CVKSISIWSA-N 427.529 6.092 30 40 IKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccc(OCC(C)C)cc3)sc3c2CCCC3)cc1 409022176 HSACGMKPCXHNPC-LQKURTRISA-N 446.616 6.973 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 409203637 ZPGCFZVQJBUUIP-DHRITJCHSA-N 444.756 6.749 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1 409212450 MIZSQMBITFKFFD-DHRITJCHSA-N 428.757 7.049 30 40 IKEB N#CCn1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21 409376766 CUNDTJYTTMRNOS-YMTQWUKOSA-N 448.551 5.969 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 2049238451 WKXDFOKWTASGPK-JEZHGSKMSA-N 432.604 5.664 30 40 IKEB N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCCn1ccnc1 2419734 RZQXXXPUPIMROL-UHFFFAOYSA-N 433.899 5.144 30 40 IKEB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc12 2792308 ZCRXLYUKWVLFRP-UHFFFAOYSA-N 439.584 6.371 30 40 IKEB Cc1ccc(C(=O)Oc2ccc(/C=N/c3cccc(C(=O)c4ccc(F)cc4)c3)cc2)cc1 3116447 ODCODDMLRMGAHN-UXHLAJHPSA-N 437.470 6.335 30 40 IKEB C=CCSc1nnc(NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 3431782 FRPBZZFCVYJVTA-UHFFFAOYSA-N 426.592 5.448 30 40 IKEB COc1cc(OC)c(NC(=O)O/N=C(\c2ccccc2)[C@H](O)c2ccccc2)cc1Cl 5639611 ATRLTKZSJCYHPY-XDMDVORWSA-N 440.883 5.044 30 40 IKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCN(c5ccccc5)CC4)o3)o2)c1 8614957 XJYZMVCCVQFYOI-UHFFFAOYSA-N 440.503 5.020 30 40 IKEB N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1SCc1cccc(C(F)(F)F)c1 8885116 FTVREKKWVCEICX-UHFFFAOYSA-N 438.396 6.950 30 40 IKEB C[C@H](Sc1nc(Nc2ccccc2)c2ccccc2n1)C(=O)Nc1sccc1C#N 9468964 OPIKJLZJGMSRJN-AWEZNQCLSA-N 431.546 5.426 30 40 IKEB COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)no2)c1 9597835 FUETUFSSHFXHMC-OAHLLOKOSA-N 435.549 5.687 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1C 12285243 PQVSWPBQFGSBKC-ZEHKLFRWSA-N 442.584 6.159 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)OCc1ccccc1 12445216 DJWUJXOFCGPZHH-FQEVSTJZSA-N 425.315 6.706 30 40 IKEB N#Cc1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1 12908498 TUFJILBEFMUICQ-UHFFFAOYSA-N 448.441 5.107 30 40 IKEB Cc1ccc(N/N=C2\C(=O)N(c3nc(-c4ccccc4)cs3)N=C2c2ccccc2)cc1 13573833 MHSBDNBGCKEARU-NFFVHWSESA-N 437.528 5.338 30 40 IKEB Cc1cccc(-c2cc(/C=C/c3ccccc3[N+](=O)[O-])c(C#N)c3nc4ccccc4n23)c1 25395875 YVAVTHYBUDYACU-BUHFOSPRSA-N 430.467 6.413 30 40 IKEB CCCOc1ccc(Br)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 32116873 QCKLECNQCMWLAS-UHFFFAOYSA-N 431.326 5.366 30 40 IKEB CC[C@H](C)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 59104094 JTYCHHFPCVIOTK-NTOSSWPYSA-N 432.099 5.911 30 40 IKEB Brc1ccc(/C=N/c2ccc(/N=C/c3ccc(Br)cc3)cc2)cc1 95851145 ABIMDDIMIIGMLZ-RNIAWFEPSA-N 442.154 6.713 30 40 IKEB CCN1/C(=C\C=C2/S/C(=N\c3cccc4ncccc34)N(C)C2=O)Sc2ccccc21 100202143 MLYQSWJIORZOBV-QWLBQPIGSA-N 444.585 5.785 30 40 IKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408589202 DGYTWFZSLCRQNA-DHRITJCHSA-N 434.521 5.365 30 40 IKEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 408908807 DGTIUAPCTQJVJR-NHDPSOOVSA-N 447.310 6.169 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409004914 CEGZJVRZGFHWIY-RGEXLXHISA-N 429.925 5.192 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 409035477 JXTMTSBWEVWFNA-JQAMDZJQSA-N 428.735 5.633 30 40 IKEB CCCCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl 409036674 SCQMBLRVVVYTDQ-VAPIAZESSA-N 429.163 5.886 30 40 IKEB C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC 409069875 AYGROHAYZGITKC-UHFFFAOYSA-N 433.548 5.080 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)nc1 409076073 XKSAINONQQVRMD-YPXUMCKCSA-N 440.252 6.432 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 409079751 MDAYYFUJQRQZSO-UWSVQNCHSA-N 434.580 7.041 30 40 IKEB COc1cccc(-n2c(C)cc(/C=N\Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)c1 409099919 ROIWCQUTQAGNBI-ROTLSHHCSA-N 432.402 5.476 30 40 IKEB Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1Cl 409199911 FPTOWJFEOKAMBW-LQKURTRISA-N 428.919 6.570 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccc(C)c(C)c1 409297312 WBEFOZYPDYXURD-UHFFFAOYSA-N 449.352 5.011 30 40 IKEB Cc1cc(C)cc(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc23)c1 2376104 FSMVTGPYXWPYGH-WKULSOCRSA-N 448.530 5.226 30 40 IKEB CC(C)(C)c1cc(/C=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 2842434 VQMXJHZLERTDKF-OCSSWDANSA-N 437.668 8.038 30 40 IKEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl 8438691 AYRZFHJNKMIXRS-RFAWQRTRSA-N 429.903 5.518 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccc([N+](=O)[O-])cc1 8821200 YZQHVYNHDQQXBP-AUWJEWJLSA-N 427.791 5.159 30 40 IKEB N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1S[C@H](C(=O)O)c1ccccc1 9086441 OTRPBEBNDWHHIR-FQEVSTJZSA-N 434.567 6.328 30 40 IKEB N#Cc1c(-c2cccs2)cc(-c2ccc(Cl)cc2)nc1SCC(=O)c1ccccc1 9144836 LRQBOAHCLJNGJV-UHFFFAOYSA-N 446.984 6.977 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCCc1ccccc1 9892552 NXWHGINPEJOMID-JOCHJYFZSA-N 437.370 6.919 30 40 IKEB C=C(C)COc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C(F)(F)F)oc2c1 11865235 HNGSXPLIYWBACR-UHFFFAOYSA-N 439.227 6.196 30 40 IKEB biogenic CCOc1cc(C#N)cc(Br)c1OC(=O)c1sc(-c2cccs2)nc1C 13095538 ADBKLEAVUFHDCS-UHFFFAOYSA-N 449.351 5.432 30 40 IKEB CCOc1ccc2c(c1)S/C(=C\N/N=C/c1ccc(OCc3ccccc3)cc1)N2C 13939841 OAKMWEHGFGSNHW-WUDIEWAJSA-N 431.561 5.629 30 40 IKEB Cc1ccc(C(=O)Oc2cccc([C@@H]3Sc4ccccc4NC4=C3C(=O)CCC4)c2)cc1 14671936 PCUIXPDSYDCIIX-SANMLTNESA-N 441.552 6.480 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1 16689190 HBAZJXWSXXDZGY-XQNSMLJCSA-N 430.529 5.556 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1C(c1ccco1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 22500523 ZOMAHBYSHWQBDZ-SFTDATJTSA-N 435.523 5.768 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2-c2ccccc2S1(=O)=O 33271940 ZAFFXVOVWVKUMI-UHFFFAOYSA-N 446.572 5.732 30 40 IKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 34688470 WGAOZMBVIPIGQR-UHFFFAOYSA-N 431.513 5.195 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 97950326 NFFHHPNVJGRSRY-UHFFFAOYSA-N 441.666 5.806 30 40 IKEB Cc1cc(Cl)ccc1/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C 101651088 MPZRUZNDUQKCIE-OCLJWFPGSA-N 436.364 5.200 30 40 IKEB Cn1/c(=N\N=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)sc2ccccc21 106002290 NEZWYJVHPSJTLQ-CBGZGJCMSA-N 449.539 5.774 30 40 IKEB CC(C)c1ccc(/C=C2/SC(=Nc3ccccc3I)NC2=O)cc1 408748314 BRVCHFQWZDYIDK-GZTJUZNOSA-N 448.329 5.306 30 40 IKEB CCOc1cccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)c1 408915333 XOBFUPHSZUYWNA-KWPJTZOTSA-N 434.605 6.584 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)c([N+](=O)[O-])c1 408934273 ABJMODLAXMVCKM-KSEXSDGBSA-N 444.806 5.321 30 40 IKEB Cc1cccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1 408966714 QCGNAFCYVSXZGP-LDADJPATSA-N 428.344 5.984 30 40 IKEB Cc1nc(N)c(C#N)c(-c2ccc(OCc3cccc4ccccc34)cc2)c1-c1ccccc1 408982415 XVEBRTNNVFJUJA-UHFFFAOYSA-N 441.534 6.910 30 40 IKEB C#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 409052054 PUBOULJTWWJGTP-UNOMPAQXSA-N 442.334 5.006 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)c2C#N)C1 409087271 BXWOQGIXTUKHMO-OSGIAPPUSA-N 446.591 7.239 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)S/C1=N/c1ccc(Cl)cc1 409093227 ZKKWLDLZCRPLDI-REHDBGDWSA-N 428.001 6.200 30 40 IKEB CCOC(=O)c1c(/N=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CCCC2 409215304 XCPPIIWOELNEIN-CFRMEGHHSA-N 438.505 6.031 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)c(C)c1 409219010 ZNSJDOYNWICDDG-DNTJNYDQSA-N 441.119 5.042 30 40 IKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC 2076488 FXLCHAHQBTVRRJ-MZURAFEFSA-N 444.984 5.630 30 40 IKEB COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 2098394 PBXOTQWYLMQFLF-OYKKKHCWSA-N 444.483 5.663 30 40 IKEB biogenic CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 2414254 GYLYNPFQYSJXBG-MSXFZWOLSA-N 442.467 5.548 30 40 IKEB Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccccc2)c1Sc1ccc(Cl)cc1 3052414 RIHNDAULZBHZKY-BHGWPJFGSA-N 439.846 5.434 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O 3191515 LVSWJRWZRNDTGD-BHGWPJFGSA-N 437.839 5.830 30 40 IKEB CCCCCCCCCCCCCC(=O)Nc1ccc(I)cc1 8452340 KVWVPCKZFPRETN-UHFFFAOYSA-N 429.386 6.931 30 40 IKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCN(c5ccccc5)CC4)o3)o2)cc1 8844490 OMLMSMYXPJLGRK-UHFFFAOYSA-N 440.503 5.020 30 40 IKEB CN(C)c1ccc(C2N([C@@H](C#N)c3ccccc3)CCCN2[C@@H](C#N)c2ccccc2)cc1 19323936 SOPQZNSQODRFSI-SVBPBHIXSA-N 435.575 5.289 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 19636396 FSXRBMXJBAXAIR-MAELQIJGSA-N 442.540 5.146 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C 19643813 PVKTZYSQXFLDJZ-IBVKSMDESA-N 445.559 5.399 30 40 IKEB N#Cc1c(-c2ccccc2)ccnc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20219051 TXEYIHRJHRAXQS-UHFFFAOYSA-N 443.860 5.014 30 40 IKEB C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1ccc(Cl)cc1Cl 33667654 SIMAMSOQRJZMBW-UHFFFAOYSA-N 447.391 5.302 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463777 VOKHWINTGRNDLO-VULFUBBASA-N 431.492 6.892 30 40 IKEB CCCCCCCCCCNC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 97951515 ICZPNBKKDDBQJZ-NRFANRHFSA-N 449.466 7.193 30 40 IKEB C/C(=N\c1ccc(Br)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643568 GCGRLIKBEZCHFU-MFKUBSTISA-N 433.305 5.600 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 102137245 KDOUMEBUEPCNCB-QFIPXVFZSA-N 449.501 5.983 30 40 IKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 102561914 KZIWBNMCDLQBGV-UHFFFAOYSA-N 438.439 7.421 30 40 IKEB C=CCSc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 219805931 ZIGDYGGDWQMASP-UHFFFAOYSA-N 428.601 5.512 30 40 IKEB Cc1sc2nc(-c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)nc(O)c2c1C 408733840 AXNKINSAWNIKMM-UHFFFAOYSA-N 434.590 5.900 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1)NCc1ccco1 408819929 ZIYDZMPALITXBH-QRQIAZFYSA-N 440.499 5.304 30 40 IKEB COC(=O)c1cc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)ccc1Cl 408847140 PKYWCHFKJFRYTP-WYMPLXKRSA-N 445.744 6.047 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1OCC(C)C 408910878 LYKFCJAYEGMITM-HUOZHCEOSA-N 438.593 6.133 30 40 IKEB CCCCCCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)nc3ccc(C)cc23)cc1 409177736 IFRGCDIFECBSHW-UHFFFAOYSA-N 437.587 7.571 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409208438 BSEWCAWPMNBKPI-CVKSISIWSA-N 438.911 5.515 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409211420 JCPDBIZGCVTIOJ-ZVHZXABRSA-N 439.309 6.249 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCC 409212772 RCIVJTGMUMYGSI-DEDYPNTBSA-N 443.952 6.107 30 40 IKEB C=C(C)CSc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2402221 ZSCOLDJXCYMLOG-UHFFFAOYSA-N 445.679 6.604 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 2889467 JAUIPVXDVZRUEM-AWEZNQCLSA-N 438.618 5.361 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 3085179 LZSQDTJOSLJIRP-YSURURNPSA-N 445.675 6.506 30 40 IKEB COc1ccc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1Br 3092130 XPUJOBRGAJEGEO-FMCGGJTJSA-N 439.334 6.191 30 40 IKEB CCn1c2ccccc2c2cc(/C=N/n3cnc4scc(-c5ccccc5)c4c3=O)ccc21 3187218 KCQWEPRDMGDCRB-WKULSOCRSA-N 448.551 6.135 30 40 IKEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 8916827 CQJJTUOODQCOMJ-ZTOMLWHTSA-N 436.599 7.272 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 9046408 WITXNGJCWMBPKR-OAQYLSRUSA-N 444.487 5.527 30 40 IKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C 9196588 HQGLTOKHJMNCKB-OPEKNORGSA-N 436.770 6.187 30 40 IKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccc(OC)cc3)c3ccc(O)c(C)c3O2)N1 12716879 RYQIQTFWSRHYSV-NBGIEHNGSA-N 438.593 5.367 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1 13567812 SZHFNZRNKDBKGD-LJQANCHMSA-N 439.939 5.521 30 40 IKEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(C)c1C 13879691 AXNIGWQSAPGJRV-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB Cc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1 18152141 LVZFJEWUZGATPC-YYADALCUSA-N 436.920 5.019 30 40 IKEB Cc1sc2ncnc(N/N=C/c3cccc(NC(=O)c4ccccc4Cl)c3)c2c1C 33045703 ZKIYVYCYLVGKQZ-KBKYJPHKSA-N 435.940 5.660 30 40 IKEB CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71784702 WVXXEBLHRGPWQV-JTLFAELUSA-N 446.635 6.498 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc12 83263228 PRTGSTOLFKQYGR-WQRHYEAKSA-N 429.328 6.047 30 40 IKEB N#Cc1cnc2c(/N=N\c3ccccc3Cl)c(N)nn2c1-c1nc2ccccc2s1 97411227 IDTPYYWCUPVNEC-RQZHXJHFSA-N 430.884 5.529 30 40 IKEB COC(=O)c1ccccc1CSc1nsc(/C=C/Nc2ccc(Cl)cc2)c1C#N 100277824 YSOVOWPNXDXPKE-ZHACJKMWSA-N 441.965 5.830 30 40 IKEB O=C(/C=C/Nc1ccc(C(F)(F)F)cc1)c1ccc(OCc2c(F)cccc2Cl)cc1 100418347 RHNBOPXMKPWIMT-OUKQBFOZSA-N 449.831 6.885 30 40 IKEB Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nc2c1CCC2 108078229 DHXIRIVKQGNJGI-CQSZACIVSA-N 440.638 5.089 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC(=O)c4ccc(C)cc4)c3)S2)cc1 408897538 XRAVBQQWZRWQLZ-JCMHNJIXSA-N 428.513 5.414 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1ccc(C)cc1 408911031 IPDFQKXWMRXYDS-WDVBHDOFSA-N 430.573 6.559 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc12 408912365 NGCZPYVYPWJFFP-AJGXWLHTSA-N 436.536 6.657 30 40 IKEB COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O 793482 MKWYUHYBWXUTCR-HHHXNRCGSA-N 441.527 6.083 30 40 IKEB COc1cccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)c1 2103695 IHRNXPJWAIMQEC-UUYOSTAYSA-N 437.289 5.653 30 40 IKEB biogenic Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc12 2312682 GAAQFTVQTCGEQL-LQKURTRISA-N 435.483 5.025 30 40 IKEB CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 2752754 WHMZWEKRMVITAW-OAQYLSRUSA-N 443.355 5.773 30 40 IKEB CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 4048130 AHURIOZKCVUFMA-DNOBIOAJSA-N 444.962 6.718 30 40 IKEB C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 9593772 CUHFVQBNVNHWRZ-UHFFFAOYSA-N 449.605 5.130 30 40 IKEB Cc1ccc(C)c(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1 16730204 CCHKETOAVQQHGV-UHFFFAOYSA-N 447.507 6.048 30 40 IKEB CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1cccc(C(=O)O)c1 35656239 GNYOIACHZNDIKK-MDIFQPDJSA-N 432.501 5.171 30 40 IKEB CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)c2c1 44167699 ZTUZBBKNCPXPBR-UHFFFAOYSA-N 446.576 5.082 30 40 IKEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N(C1CCCCC1)C1CCCCC1 60297755 PGVMYKARINOPLB-SGWCAAJKSA-N 439.522 5.961 30 40 IKEB C/C(Nc1ccc(C)cc1)=C1\C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(Cl)cc1 100249804 NTRUXCXPSZLYHC-GTRUEHEQSA-N 432.907 5.397 30 40 IKEB O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 100501671 SQYNIERFOHZXDA-NSHDSACASA-N 436.057 5.127 30 40 IKEB CCCCCCC[C@H](/C=C\CCCCCCCC(=O)OCCCCC)S(=O)(=O)O 103663789 RRUXVNIIXRLORS-JXTFVVQCSA-N 432.667 6.624 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 253505248 FHIHDASURXFVSB-AHNQMQCHSA-N 444.585 7.913 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 408702515 GTQCREIGRBTDDK-NRFANRHFSA-N 427.928 5.042 30 40 IKEB CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 408703011 ZXRZMHZERJDAKH-JOCHJYFZSA-N 441.955 5.296 30 40 IKEB CCCCCCCOc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 408737112 JRCZVAPBNBBUFU-JJKYIXSRSA-N 437.587 7.639 30 40 IKEB CC(C)c1ccc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)cc1 408751709 AJSRRDBRUHLMFO-GZTJUZNOSA-N 448.329 5.306 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1OCC 408819384 QMZMYEXEASKFMJ-WQRHYEAKSA-N 447.343 5.296 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(C)C1=O 409056655 HTJABWULWPXLGU-JUMVDPBBSA-N 446.528 5.561 30 40 IKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1F 409122036 WTBSWQQCBOLDHG-UHFFFAOYSA-N 435.539 6.543 30 40 IKEB CC[C@H](C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409295071 CIGOHMXHJCRICR-KRWDZBQOSA-N 448.523 5.412 30 40 IKEB N#Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1[S@@](=O)Cc1ccccc1 9971514 XBSSRYFBBYABKP-WJOKGBTCSA-N 425.509 6.451 30 40 IKEB CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(CCCC)cc3)S2)cc1 11690589 USEAFHQMBMCKAE-HXTHCWADSA-N 437.609 5.372 30 40 IKEB Cc1cc2nc(-c3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3O)oc2cc1C 12353242 PRSQWRZMMQYGLI-KIBLKLHPSA-N 427.287 6.580 30 40 IKEB COc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1 13633113 RHUYASIFBKPRFF-VEILYXNESA-N 449.982 5.079 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 14271470 HERMQYHZCPTETL-MRXNPFEDSA-N 445.613 5.390 30 40 IKEB CN(C)c1ccc(/C=N/c2ccc3c(c2)/C(=C/c2ccc(N(C)C)cc2)c2ccccc2-3)cc1 16970136 MRDRCYQHHJZNJG-MYZKGQCCSA-N 443.594 7.139 30 40 IKEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 17041240 HAQHFPKDKNJNHC-FQEVSTJZSA-N 447.535 5.487 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c(O)nc(SCc3ccccc3)nc1N2 17189567 BPTXLLNOTVPMHX-LJQANCHMSA-N 449.963 5.692 30 40 IKEB COc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2C#N)cc1 19947275 RXYPXBNFVMSZGK-UHFFFAOYSA-N 442.544 5.181 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 20027281 AOGQNRPFLLDBII-RUZDIDTESA-N 445.559 5.433 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1C(=O)O 33880485 XYQBOZWKZXQHJE-CENQWQLUSA-N 444.512 5.592 30 40 IKEB Clc1ccc(/C=N\Nc2nc(NCc3ccccc3)nc(Nc3ccccc3)n2)cc1 36020247 KJLFWDPIVBBDLE-QQXSKIMKSA-N 429.915 5.327 30 40 IKEB CCCCCCCCC/C=C\C[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)O 100166477 MQNHEGLHWZYQRP-LENZSSGSSA-N 438.406 6.566 30 40 IKEB COc1ccc(/N=C(/N=c2\sn(C)c(=S)n2-c2ccccc2)c2ccccc2)cc1 100370094 DAJRSGZKJUWDJX-ZINFLPCDSA-N 432.574 5.295 30 40 IKEB CCc1ccc(-c2nc3cc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc45)ccc3o2)cc1 100503690 QJTWQQJSAYULSE-JFLMPSFJSA-N 437.455 6.575 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1 100856227 FPAHKPIGHJWKQI-PYCFMQQDSA-N 440.634 6.654 30 40 IKEB N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]31N=2 102674517 OTRFRNNIWWWYJW-BRWNIOCJSA-N 440.550 5.049 30 40 IKEB CC(C)(C)c1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 102797494 RTVNIEMZFPPXBH-MRJHHRETSA-N 432.545 5.063 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 102857977 XADIILSENQXNOH-AYWGPLOBSA-N 431.919 5.313 30 40 IKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccc(Br)c3)C[C@H]12 253499678 OMJIZRMQBBHMOY-LDHKKCCPSA-N 441.453 7.444 30 40 IKEB biogenic CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 408703012 ZXRZMHZERJDAKH-QFIPXVFZSA-N 441.955 5.296 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408909143 GNXPGUAOGALKIB-CUNGHOPLSA-N 446.326 5.371 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)C)cc1 409093908 BOEXPTSEYVHLOK-UVHMKAGCSA-N 444.457 6.591 30 40 IKEB Brc1ccc(COc2ccc(/C=N/c3cccnc3)cc2)c(Br)c1 409187858 VEEIFZGJSXHTOU-FOKLQQMPSA-N 446.142 5.936 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 409212543 QXBMFIQLILNARA-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1O 409214054 XISUPHDQJURTCJ-LPYMAVHISA-N 445.256 5.548 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)c3ccccc23)S/C1=N/c1ccc(F)cc1 409240435 TYCCIXJIGGJCMP-NCBOYLFCSA-N 445.563 6.203 30 40 IKEB Cc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc2n1C(C)C 409304134 QDNTYIVARHCJFH-UHFFFAOYSA-N 426.564 6.170 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(Cl)cccc1Cl 2240905 VWECLXQUTYPNPL-UHFFFAOYSA-N 440.783 6.296 30 40 IKEB CCCCCCCCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 2290240 LLRFPMQWGNIAEP-UHFFFAOYSA-N 438.543 6.239 30 40 IKEB C=CCn1c(SCc2ccc(Br)cc2)nc2sc3c(c2c1=O)CCCC3 2446874 LNSLAJSOCVTBMZ-UHFFFAOYSA-N 447.423 5.578 30 40 IKEB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1C 8708144 HIGJPRACMMWXIZ-UHFFFAOYSA-N 433.533 5.215 30 40 IKEB CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2[C@@H]1c1ccc(Cl)cc1 8721076 YNENGFDBOHXUCG-GOSISDBHSA-N 440.927 5.774 30 40 IKEB C=CCNc1cc(CSc2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)n1 8733607 WDJXOUYGFJQWLY-UHFFFAOYSA-N 448.444 6.966 30 40 IKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8821073 JTTRPIWOCROVTB-HYARGMPZSA-N 441.468 5.900 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 9042475 GWNCCVGLRPMTRM-XTEPFMGCSA-N 440.543 6.281 30 40 IKEB C=CCNC(=S)N/N=C/c1cn(CCOc2ccc([C@H](C)CC)cc2)c2ccccc12 9554189 WLBZRGFXYGYMOQ-IPISDEMTSA-N 434.609 5.218 30 40 IKEB C[C@@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1 9635400 FFZKFMIQVLCTMD-JTQLQIEISA-N 443.281 6.264 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(C(=O)C1CCCCC1)c1ccccc1N2 12652126 BGINIRZEPREMEX-RUZDIDTESA-N 434.967 6.427 30 40 IKEB N#Cc1c(NC(=O)c2ccccc2Br)oc(-c2ccccc2)c1-c1ccccc1 13616262 HAFGLZYGTJAFPA-UHFFFAOYSA-N 443.300 6.500 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(C)cc1 16185223 NJJUIYSQGVOAJM-YJOHERITSA-N 444.025 6.423 30 40 IKEB Fc1c(F)c(F)c(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(F)c1F 16399531 QBXFQVLTLNLCDL-OXUBWTJQSA-N 426.772 6.061 30 40 IKEB COC(=O)[C@@H](CP(C)(C)=O)C(/N=C(\C)C(F)(F)F)(c1ccccc1)c1ccccc1 17139824 AXKGADSQHBNSTG-DZTFFZQKSA-N 439.414 5.365 30 40 IKEB CCOc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 23199938 ZSBOCSJLGCTJOY-HKWRFOASSA-N 429.472 5.667 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3cc(F)ccc3S2(=O)=O)cc1 32984358 CAHIRNJGVUNVTF-UHFFFAOYSA-N 427.884 5.437 30 40 IKEB CC(C)c1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 33381675 HWIJGHAHEVQVHH-LJHNCSMGSA-N 449.638 7.485 30 40 IKEB Cc1cccc(Cn2cc(/C=C3\S/C(=N/c4ccc(F)cc4)NC3=O)c3ccccc32)c1 59105822 MDBDFCYVTJLESS-OYKKKHCWSA-N 441.531 6.029 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 102520849 IGKKIKNXSKMWIB-MOBKVPTQSA-N 446.572 5.818 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 224373616 UMXZIHLBTAWZLF-UHFFFAOYSA-N 434.561 5.245 30 40 IKEB COc1c(Br)cc(Br)cc1/C=C1/Sc2ccccc2C1=O 408719338 CJUZSDWXAROJPI-VGOFMYFVSA-N 426.129 5.550 30 40 IKEB Cc1cccc(COc2ccc(/C=C3\SC(=Nc4cccc(Cl)c4C)NC3=O)cc2)c1 408738004 HQSZTPNLYGDBMJ-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc1)N2 408935109 GTFIQLBGUIBNKM-OOXWVHJOSA-N 425.488 6.186 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 408953424 PMOUIZCUVYSXJO-FYJGNVAPSA-N 449.488 5.454 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 408964976 JHRQJVSJPCQZJS-LDADJPATSA-N 431.414 5.527 30 40 IKEB C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OCC 409122651 AQBLWOIPQLUJNC-CJLVFECKSA-N 439.577 5.442 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 409211579 OLKJHBDZAOXWSO-UVHMKAGCSA-N 432.322 7.169 30 40 IKEB Cc1ccc(C)c(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1 409211856 KJABJDVZPFMZBR-LQKURTRISA-N 444.372 7.549 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 409216959 MQGKWBUMFISGQH-AFUMVMLFSA-N 428.757 6.995 30 40 IKEB Cc1ccc2c(c1)c(/C=N/Nc1nc3ccccc3s1)c(C)n2CCOc1ccccc1 1861045 CQFVMJFYEKIOFV-WPWMEQJKSA-N 440.572 6.393 30 40 IKEB Cc1ccc(N2C(=O)/C(=C\Nc3sc4c(c3C#N)CCC4)c3ccccc3C2=O)cc1C 3415023 NUSQONFVJCOGOE-HMAPJEAMSA-N 439.540 5.365 30 40 IKEB CCCCN(CCCC)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 4116446 SDZIJGBMMXHWRM-OSBDDZKNSA-N 432.608 5.801 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccccc3C)n2)cc1 6245995 AXDJRUCNUCULMZ-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB O=C1/C(=C\c2ccc(Br)s2)S/C(=N\c2ccccc2)N1Cc1ccco1 8722233 GDVKCAUXPONIGI-BRQLWOPXSA-N 445.363 5.908 30 40 IKEB COc1cccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c1OC 8771501 OIGYMLUMOQCISE-NTCAYCPXSA-N 443.930 6.777 30 40 IKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)c1 8820789 BTRGYQMUBOMGTF-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 8821055 NDNRLQDPJQBFDZ-DEDYPNTBSA-N 435.461 5.145 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 9108748 VFHDBDAPZSDXOT-OAQYLSRUSA-N 448.862 5.340 30 40 IKEB O=C(OCC#CCSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1 9546467 QJWUXPBUGSWROC-UHFFFAOYSA-N 446.959 5.691 30 40 IKEB Cc1cc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)no1 10201669 LCEKOKZRQRRBJG-JTQLQIEISA-N 438.456 5.116 30 40 IKEB CCCCCOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 11992242 GLGQIVFCWILWEV-ZMOGYAJESA-N 434.392 7.132 30 40 IKEB Cc1nn(-c2nc3ccccc3s2)c2c1[C@H]([C@@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2 12589291 GIVACYCDGIYMJO-ZHRRBRCNSA-N 444.604 6.299 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccc3c(c2)OCCO3)nc1SCCc1ccccc1 12959896 KGYAEIQNBAUPRL-UHFFFAOYSA-N 442.462 5.745 30 40 IKEB C[C@@H](/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1 13510789 NHIVKJVPLGQPJF-FWAMIEIGSA-N 429.567 7.222 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C)cc1C 14126797 DSGFAEHTULYXAZ-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 17094640 BFTNCODIEGWAOI-IQGLISFBSA-N 425.919 6.105 30 40 IKEB Cc1ccc([C@@H]2N/C(=N\c3nc4ccccc4s3)Nc3c2c(=O)[nH]c2ccccc32)cc1 17101512 QMLCRTSUGQQWFP-NRFANRHFSA-N 437.528 5.238 30 40 IKEB C=CCn1c(SCc2cccs2)nnc(Nc2cccc(Cl)c2Cl)c1=O 28537176 CYRITNQMFXTFSH-UHFFFAOYSA-N 425.366 5.229 30 40 IKEB Clc1cc(Cl)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1 84572967 AQBZEIMLIAKPML-RPPGKUMJSA-N 442.737 6.341 30 40 IKEB COc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 95093707 PUPGKKCPLWYJLH-YFJQDTPYSA-N 425.528 5.256 30 40 IKEB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 97983965 MGSIGEHLSLXRAT-CQSZACIVSA-N 431.254 5.830 30 40 IKEB CCCCn1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176681 RCQMOQBWTRKEMS-TWKHWXDSSA-N 448.526 7.153 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1OCC 104348823 DAKUWECMAUHDSK-NFFVHWSESA-N 447.733 7.365 30 40 IKEB CCn1c(N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc2ccccc21 408692658 RTHCZMCVOGYZPN-OEAKJJBVSA-N 446.423 5.111 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)NC1CCCCC1 408807833 HWWXNPFFCWJSKB-USHMODERSA-N 428.532 6.057 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2CCc2ccccc2)cc1 408915239 XLEFBZLYJWSKAJ-OBUXZSPNSA-N 443.528 5.750 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(OC)c1OC 408938793 RPHGNXZYNHJXIC-UQIUYHSWSA-N 440.543 6.290 30 40 IKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl 408945127 VXQCNZLOLGWAFJ-WNNHNUONSA-N 428.963 7.234 30 40 IKEB COC(=O)c1ccc(/C=N/c2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)cc1 409049734 YCYMXMHFFLHVLR-LSHDLFTRSA-N 443.322 5.023 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1Cl 409085064 NQUDXYBSAOYLHH-BKUYFWCQSA-N 435.911 5.016 30 40 IKEB COC(=O)c1cccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409376849 DJIARACJBQOAAP-ZMFRSBBQSA-N 440.858 5.034 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 2270796 PCLCVDPQLMETQG-KRWDZBQOSA-N 438.662 6.575 30 40 IKEB C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 2745100 ZEIPSOYTXCIMJG-HSZRJFAPSA-N 447.332 5.541 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C=C(N5CCCCC5)CC[C@@]43C)[C@@H]1C/C(=C\N1CCCCC1)C2=O 4744041 NCJGURLTEUXPIK-MPGSEUOJSA-N 448.695 6.478 30 40 IKEB CCOC(=O)[C@H](CC)Sc1nc(-c2ccc(OCC)cc2)cc(-c2ccccc2)c1C#N 6134514 JJLIDQBSPIEYDR-DEOSSOPVSA-N 446.572 6.120 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 8438053 SMEIBFKIOWIDLV-HUOZHCEOSA-N 434.561 5.914 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ncccc4N23)c(C)c1 8934219 HJULPICYDRMERV-ZNZIZOMTSA-N 448.501 5.122 30 40 IKEB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C#N)cc4F)ccc3o2)c1 9189832 ZBPHXUACVVEIAQ-UHFFFAOYSA-N 444.491 5.249 30 40 IKEB CC(C)Oc1ccc(-c2nc(N/N=C/c3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 9428450 HFXLDSVOLUUBDU-MFKUBSTISA-N 427.464 5.438 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9433792 YXFZMSMIGYMCDQ-NRFANRHFSA-N 437.879 5.110 30 40 IKEB CC1=C(C(=O)c2ccccc2)[C@H](c2c(Cl)cccc2Cl)n2c(nc3ccccc32)N1 12416592 CFSPBNVFVLNTSC-JOCHJYFZSA-N 434.326 6.515 30 40 IKEB O=C(/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2[nH]1)c1ccccc1 12523666 SQKCLJXHIMONIT-LGMDPLHJSA-N 435.386 5.496 30 40 IKEB C/C(=N\Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Cl)cc1Cl 13402378 HAFXDQGOSZYVFR-BHGWPJFGSA-N 430.316 6.059 30 40 IKEB Cc1ccccc1OCCSc1nc(-c2ccccc2Cl)c2c(c1C#N)CCCC2 13524504 WWGPSTWYSPSANR-UHFFFAOYSA-N 434.992 6.632 30 40 IKEB CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 15979965 XKGBLPUZEGOBHN-HXUWFJFHSA-N 438.593 5.500 30 40 IKEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 16741364 UQXFYDZYUFUNOG-DEOSSOPVSA-N 431.532 5.448 30 40 IKEB Oc1cc(Br)c(/N=C/c2cc(Cl)cc(Cl)c2O)c(Br)c1 38162389 VNYAZDZBOLFQFE-BLLMUTORSA-N 439.918 5.680 30 40 IKEB Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/c2cccc(Cl)c2Cl)N(C)C1=O 101649779 OFIBFYWBHLADLQ-DXPKEERLSA-N 436.364 5.200 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1Cl 102623802 BINWNJFDVAGUQV-JBCNATCCSA-N 448.862 5.183 30 40 IKEB CCCCCCCCCCn1c(O)c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 102863877 KSBIBCYANVDUJI-UHFFFAOYSA-N 438.543 6.239 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 113833493 NDRORCGWBANKKZ-HYARGMPZSA-N 434.586 5.671 30 40 IKEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 224377746 AYVJRINFZPOBAN-NRFANRHFSA-N 448.588 5.176 30 40 IKEB C=CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)OCC)CCCC2 408818192 NFQJIJWBFYTHMX-YDZHTSKRSA-N 448.382 5.882 30 40 IKEB Cc1nc(N)c(C#N)c(-c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1-c1ccccc1 408821586 JDYCHPBSSXWHKR-UHFFFAOYSA-N 429.863 5.790 30 40 IKEB CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OC(C)C 408898256 PKLNRIKZVSVXTH-UHFFFAOYSA-N 443.971 5.569 30 40 IKEB CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc2ncccc2c1 408961049 QKEAQWMXUBXPDP-WNOHRPASSA-N 428.561 5.459 30 40 IKEB Cc1cc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)cc([N+](=O)[O-])c1C 409049220 YISRPIJSWQIUOB-HCBMXOAHSA-N 427.276 5.186 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(OCc4ccccc4F)c3)c2C#N)C1 409213699 QIMUJYQDAHIGAY-YEPJEUQFSA-N 446.591 7.239 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1ccc(F)cc1 409235422 PQNUFZKJEKQERO-HTEZIOAISA-N 437.452 5.618 30 40 IKEB CCOc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1OC(C)C 409294011 KNQRDGHODFLULB-UHFFFAOYSA-N 433.552 5.512 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 1858599 AGJUNGRZZKQDFV-CQSZACIVSA-N 447.897 6.925 30 40 IKEB CC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3cc(C)c(C)cc32)S1 1896328 VFFQHFGASOTVJJ-FCDQGJHFSA-N 437.655 6.984 30 40 IKEB N#Cc1ccccc1Cn1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c2ccccc21 2209188 KYZHDALYBFZPPU-FYJGNVAPSA-N 436.898 6.196 30 40 IKEB CCCCCCCCn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 2250924 ALOPEXGCUSQYQT-UHFFFAOYSA-N 443.595 5.766 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=c2/sc3ccccc3n2C)cc1 3255145 SUJKNPSDMCLOGD-HVWDZSHOSA-N 439.544 5.036 30 40 IKEB Nc1ccc(Cc2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 8934596 XPJRZJVEPMVSFQ-UHFFFAOYSA-N 437.543 5.048 30 40 IKEB O=C(C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 9849827 RTQUVIKQMWQVQF-UAPGPWSHSA-N 435.936 5.505 30 40 IKEB FC(F)Oc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(OC(F)F)c1 12623305 WAGSFOSOAXWFLG-TXNBCWFRSA-N 431.600 6.296 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nc2sc3c(c2c1=O)CCC3 12624979 HDPQJCHTBIJSDT-UHFFFAOYSA-N 447.585 5.017 30 40 IKEB COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)SC2=S)cc1 15012035 DOLWQDHBWDPZEW-CIAFOILYSA-N 432.526 5.228 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)c(C)c1 16034357 WKOKHHOWWHAYEC-GVAUOCQISA-N 435.552 5.649 30 40 IKEB CCC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 16609914 BADJJXSCUWUNNW-VULFUBBASA-N 427.331 6.672 30 40 IKEB CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 16729023 SKPYGJXBONQAQJ-UHFFFAOYSA-N 428.479 6.639 30 40 IKEB Cc1c(Cl)c(O)c(Cl)c(C)c1N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 16807733 HFAQJISEHLIJKG-UHFFFAOYSA-N 449.359 5.563 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)s1 34894879 BQFQPHFRRGAEBR-IHPXMYKLSA-N 443.638 5.819 30 40 IKEB Cc1cc(OCc2ccc(/C=N/n3c(S)nnc3-c3cccs3)o2)cc(C)c1Cl 36611462 PECPKIQQTAFLBF-LSHDLFTRSA-N 444.969 5.620 30 40 IKEB CCCCCCCCCCCCCCCCCCCCCC(=O)NCc1ccc(C)o1 100396721 IYTPZIBXYFZYNF-UHFFFAOYSA-N 433.721 9.026 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 102859685 UWMZZDQZVQILKT-JBCNATCCSA-N 448.862 5.183 30 40 IKEB Cc1cccc(Cn2cc(/C=C3\SC(=N)[C@H](c4nccs4)C3=O)c3ccccc32)c1 136040967 UKVDJUXDOGAWBA-XOBHVICXSA-N 429.570 5.872 30 40 IKEB COc1c([C@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2/C=C/C(C)=O)c1C(=O)O 225418902 OCPBLASCIPIYAJ-CQQBXOTJSA-N 442.508 5.536 30 40 IKEB biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@H]2CC[C@@]2(C)[C@H](OCc4ccccc4)CC[C@H]32)C1 253617526 TUEREPUZRGDETH-OFUKZRRUSA-N 436.592 5.645 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C(C)(C)C)CC1 257311238 UIPSHRUQCXZADH-UHFFFAOYSA-N 432.608 5.162 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)S2)cc1 260572617 XLQNWKQAVWVYLN-QHSFOXILSA-N 447.648 6.696 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c1C 408912489 GXXDEDBCDWKHPL-BIZUNTBRSA-N 436.643 7.929 30 40 IKEB CC/N=C1/S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N1CC 408930039 RHHCXCCNTOJILG-XSGZQOPMSA-N 439.762 5.675 30 40 IKEB Clc1cc(/N=C/c2cc(Br)c(Br)o2)ccc1Br 408952213 LLFGXSVGTKONNO-FZSIALSZSA-N 442.332 5.971 30 40 IKEB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)o2)c1 408961835 OJTFDZYWYARPRC-UDWIEESQSA-N 436.464 5.072 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 409203313 VJVLWMJOVHXDRR-BUVRLJJBSA-N 445.924 5.266 30 40 IKEB CC(C)c1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)cc1 409284105 KUZDBNRIGFCLGC-UHFFFAOYSA-N 441.918 6.469 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 409298836 XZMJOWADJSEJLB-UHFFFAOYSA-N 441.491 5.025 30 40 IKEB CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC#N 409338300 HLLWEWVULFRMMD-PXLXIMEGSA-N 446.553 5.547 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)oc(-c2ccco2)c1-c1ccco1 409380121 IMOAKUYJXTYAOJ-VULFUBBASA-N 439.383 6.590 30 40 IKEB CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1O[C@@H](C)CC 409405355 UDXPAMQGZKEKEL-IBGZPJMESA-N 441.531 5.522 30 40 IKEB C=C(CCCC)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C 584578851 ACDVQHBMHPGDII-QHCPKHFHSA-N 433.556 5.149 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781187 VCCPBBWFNKCBSJ-ZHRRBRCNSA-N 439.602 5.657 30 40 IKEB O=C(CO/N=C/c1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 3329606 VWMCDZUJLINEPS-DHRITJCHSA-N 429.303 5.562 30 40 IKEB COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1OC 9019004 WLEOBYFYPYTMKM-QFIPXVFZSA-N 449.890 5.140 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/C2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 9096966 CKDKAXYUFKVXBC-FYJGNVAPSA-N 436.921 5.027 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)o2)cc1 9345064 HGUWJLILPSRAQU-RPPGKUMJSA-N 441.472 5.973 30 40 IKEB COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 9379859 ALMHUHLBSFVWIG-QFIPXVFZSA-N 449.890 5.140 30 40 IKEB COc1ccc(/C=C\C(=O)OCCOc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 13406640 OFMZLJFYBQURED-WHYMJUELSA-N 428.484 5.227 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c1 13567892 AXQCVKHRBNKOGX-GOSISDBHSA-N 445.437 5.250 30 40 IKEB Cc1ccc(Sc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 15979116 OETBLCBTGSWXLS-ONNFQVAWSA-N 444.339 7.257 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(OC)c4O)cc3)nc2c1 17099282 KVKIVHCJEDZULX-PJAVDKHJSA-N 434.923 7.127 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)c3)nc2c1 38180022 FFPZZKBAGURHEH-NXYZXBHKSA-N 445.475 6.381 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)cc1 101166010 PLAMASJBLAMQKA-XLNRJJMWSA-N 425.550 6.372 30 40 IKEB O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 102609361 NBJGHJSMIDKCJL-NHFXJNLRSA-N 441.380 5.471 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@H]3c3ccccc3)sc2c1 102735447 ODMCDKCDPHGAPK-YDJIHCHBSA-N 430.485 5.078 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=S)NN1CCCCCC1 104063487 RMKGQOAECSBJSJ-UHFFFAOYSA-N 425.771 7.503 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)S/C1=N\c1ccccc1 223554131 BMRRTKZNMLZOPG-HKJLTUBRSA-N 447.648 6.811 30 40 IKEB CC(C)(C)c1cc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc(C(C)(C)C)c1O 408749899 USWAGUFAYSVYDD-XDHOZWIPSA-N 443.012 6.532 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1 408758849 SJQMXWAXAYQZOO-MTJSOVHGSA-N 437.952 5.648 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(Cl)ccc2OCC)C1=O 408999446 CWIXABRBZODVJJ-AQTBWJFISA-N 429.925 5.282 30 40 IKEB C=CCc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OCCC 409070300 LMQPZBPXJNQLAC-UHFFFAOYSA-N 435.564 5.256 30 40 IKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(OC)c3)c2C)S/C1=N/c1ccc(F)cc1 409235928 DELXCVLPLDAZNT-BBZGBGGVSA-N 449.551 5.866 30 40 IKEB Cc1c(Cl)cccc1-c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)o1 1531385431 IZIQDGINZQGGJH-LQKURTRISA-N 439.902 6.168 30 40 IKEB C=CCc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 3660967 ABGATVBUTHVATL-WGOQTCKBSA-N 436.349 6.516 30 40 IKEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 8821192 MMMFJPDYZVAAJF-SXGWCWSVSA-N 425.863 5.316 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 8857937 HBLGLZQWEYAKKR-JOCHJYFZSA-N 448.906 5.307 30 40 IKEB N#Cc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 9262873 IOTOIZHVAMYJOC-VXLYETTFSA-N 438.270 5.218 30 40 IKEB CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(Br)ccc1O 9335038 LJEILYKSRQCFEX-FOKLQQMPSA-N 444.350 6.119 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 9508016 IOSYIHROUVPLMR-UHFFFAOYSA-N 445.935 5.190 30 40 IKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(Oc2ccc(Cl)cc2)cc1 16450184 LCAANJPRZCNKCJ-STBIYBPSSA-N 448.349 7.833 30 40 IKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 16729081 QSMKSFTYQKHACJ-UHFFFAOYSA-N 426.463 6.496 30 40 IKEB CCN(CC)[C@@H](C#Cc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 20052304 YBCOVPXPVIFYJE-SANMLTNESA-N 432.589 5.230 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c2cc(OC)ccc21 20649674 CYWOHMRXGGESRQ-BIXBROTJSA-N 446.547 5.224 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3nc(Cl)c4c5c(sc4n3)CCCC5)cc2)cc1 28219422 YRHSZQRXIYIGES-MZJWZYIUSA-N 447.991 6.862 30 40 IKEB O=C(C1=CN(c2ccc(F)c(F)c2)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1 32984242 ZASNIKYWZLWMEK-UHFFFAOYSA-N 431.847 5.268 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 44858817 MMRRFQVNMZCMQB-QHCPKHFHSA-N 426.520 5.102 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463774 XGZYZURNRDQCOI-VULFUBBASA-N 447.947 7.406 30 40 IKEB CCCCCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 97998503 QJTYKUKRSHAGKR-UHFFFAOYSA-N 430.552 5.732 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102876136 WWDCRQJPUJPTGX-YDJIHCHBSA-N 439.298 5.010 30 40 IKEB O=S(=O)(c1ccc(Cl)c(/N=C/c2ccccc2OC(F)F)c1)N1CCCCCC1 102957944 FLQWOPAXIFQSTG-ZVHZXABRSA-N 442.915 5.257 30 40 IKEB C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1O 408773597 VMYKQUYELZTHSG-SARUNTBLSA-N 445.382 5.045 30 40 IKEB O=C1C(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)c2ccccc21 408912252 DUAGJRMTWFMFBT-UHFFFAOYSA-N 435.435 5.790 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)S2)c1 408967743 UJETTWWSWFNRMU-IWIPYMOSSA-N 438.556 5.842 30 40 IKEB C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409084252 XJCUOHFXNDCWHD-QNGOZBTKSA-N 447.321 5.840 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1Cl 409210812 LOMUBFDRAIKTPA-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB O=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)Sc2ccccc21 409309072 AVSAOPXFTBZVTM-JAIQZWGSSA-N 443.402 6.735 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(C)c2ccccc12 1531325234 AVEJPJBVELQODC-HZZGJGATSA-N 437.341 5.046 30 40 IKEB COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 709527 GCVGKBWXCHEOJV-XRHLQHRESA-N 426.516 5.683 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3Cl)nn1[C@@H]2c1ccccc1[N+](=O)[O-] 944336 OOGZKDFCRIKQLE-HXUWFJFHSA-N 449.898 5.165 30 40 IKEB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)s1 2752311 XBCZYCUXFAHKBL-CQSZACIVSA-N 443.597 6.582 30 40 IKEB COc1cc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc(OC)c1OC 8437026 BNCCOTVXLZZPAN-PDGQHHTCSA-N 449.890 5.931 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)c(OC)c1 8820926 DJHYANYQQLSIGO-UDWIEESQSA-N 440.908 5.509 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 8820979 NPPHGVAOLFKTCE-VCHYOVAHSA-N 449.746 6.798 30 40 IKEB COc1ccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Cl)ccc2O)cc1 8856875 FQKVTLUOWPIQIL-BOHSUASASA-N 430.895 5.551 30 40 IKEB C=CCSc1ncc(Cl)c(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)n1 8915593 CDYILBYMZSBECC-UHFFFAOYSA-N 449.919 5.638 30 40 IKEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12 8926858 IBBMSKMQHGJUTR-QFIPXVFZSA-N 435.907 5.108 30 40 IKEB COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)C[C@H](C(C)(C)C)CC3)c1 8965036 KAXHYVZWVXAUCZ-GOSISDBHSA-N 448.657 7.134 30 40 IKEB Cc1c(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)c2ccccn2c1C(=O)c1ccc(F)cc1 12578347 DVYLMYYTIJTFIV-UVHMKAGCSA-N 449.869 5.415 30 40 IKEB Cc1ccc(C)c(CSC2=N[C@@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)c1 12954249 INAACLLPXVNCRV-DEOSSOPVSA-N 428.532 5.984 30 40 IKEB O=C1/C(=C/c2cccc(F)c2)S/C(=N\c2cccc3ccccc23)N1C[C@@H]1CCCO1 14358699 PUHJTEZAQSLHBG-HBIGRLJXSA-N 432.520 5.762 30 40 IKEB COC(=O)N[C@H](Sc1cccc2ncccc12)C(F)(F)C(F)(F)C(F)(F)C(F)F 101673277 JUDIXCYARVSOEV-GFCCVEGCSA-N 448.335 5.180 30 40 IKEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102568234 BAABDVIXYBAOLD-YDJIHCHBSA-N 425.818 5.245 30 40 IKEB Cc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 102874376 FEGKTRBVPUAEJG-NHFXJNLRSA-N 430.485 5.132 30 40 IKEB CCCCCCCOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 105450237 KTRHQQGWHYFTTI-PCLIKHOPSA-N 428.001 7.259 30 40 IKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2[C@@H](C)CC1(C)C 198101723 PIYSNZQQXXPQPC-DDBXXPGKSA-N 442.603 7.659 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@H]32)C1 252483224 DXRJBJUDWMWZPC-CRHNCYMYSA-N 436.596 5.185 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722989 PDCVVNLQZYFVRH-CVKSISIWSA-N 431.492 6.837 30 40 IKEB COc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1OC 408727582 UMDNVXWUGMVMHY-JXKYSLRESA-N 444.556 5.377 30 40 IKEB CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1OC 408850457 AIAJBKJXNYTBOL-WGARJPEWSA-N 438.549 5.308 30 40 IKEB CCn1c(C)c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 408907215 ADPDEHCNLAOJED-QRQIAZFYSA-N 441.600 6.913 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1OC 408915256 YUXBYRJZGCMJQX-HNEFAFEWSA-N 438.593 6.115 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(SC)cc2)S/C1=N/c1ccc(N2CCCCC2)cc1 408928932 LNASMRHFIXOHAS-WFXBMRRRSA-N 437.634 6.023 30 40 IKEB COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 408969639 RJHJNQYASKYVBH-WPWMEQJKSA-N 448.588 6.427 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409098368 PRRINSSYMIJVKW-UVHMKAGCSA-N 440.381 5.510 30 40 IKEB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O 409099449 NOARMWROGCVZIW-RQZCQDPDSA-N 433.316 5.500 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1Cl 409217440 UXSNQYKVQSKWDH-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N/c3cc(C(=O)O)ccc3Cl)c3ccccc32)o1 409390683 GPHZAYVLAGYJSF-OPEKNORGSA-N 436.851 5.171 30 40 IKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 820459 JTIQQTDBHFYHSA-AREMUKBSSA-N 443.543 6.175 30 40 IKEB CCCc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2n1 13574718 VCAPLXIOBMSHOO-ACCUITESSA-N 447.585 6.041 30 40 IKEB O=C(CCCSc1ccccc1)Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1 15981345 YIVXHAMGCGZPCD-WUKNDPDISA-N 442.536 6.807 30 40 IKEB COc1ccc(C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 16268141 FCGRFUQLKPEPCJ-HXUWFJFHSA-N 425.315 6.218 30 40 IKEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 16728815 CLYCHEWWGXBNBU-UHFFFAOYSA-N 428.479 6.720 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(F)c1 18166734 VUXPEMRNQDGDKF-RBTNQOKQSA-N 440.518 6.055 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(O)cc1C 28615390 ULSQZXFNDKOYGK-ZMPCKTLKSA-N 439.606 5.865 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1O 38180032 NVOJACLYBDWMCH-NEZLHVBRSA-N 448.950 7.517 30 40 IKEB N#Cc1ccc(CN(Cc2ccc(C#N)cc2F)c2cccc(Br)c2)c(F)c1 65517596 GISDDLZTHLBPOW-UHFFFAOYSA-N 438.275 5.677 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 100953469 ULOYTUVYXLVYLM-CWYRIDLXSA-N 449.894 7.026 30 40 IKEB O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1Cc1cccc(Cl)c1 105804130 NPFOFZARFDOCEY-ZXOKNOEDSA-N 439.367 6.798 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H]([N+](=O)[O-])C[C@]4(C)[C@H]3CC[C@@]21C 118934377 CKRLTARSGDZFIB-IWQVUREZSA-N 431.661 6.932 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1 245239308 HNTMKSKJRZRWKS-FKWQTULXSA-N 444.637 5.681 30 40 IKEB Cc1ccc(SC(=NNc2ccc(Cl)cc2)C(=O)c2ccc3ccccc3c2)cc1 245240969 VRSYFMNWEDZONQ-UHFFFAOYSA-N 430.960 7.202 30 40 IKEB N#Cc1ccc(COc2ccccc2/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 408634374 QILLIAXAAZJFCR-XKZIYDEJSA-N 428.469 5.496 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408666972 ASWGQAXRIZTPOT-OTLGMJNYSA-N 436.596 5.858 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 408737826 HRDLJTIOTKBNDA-LPYMAVHISA-N 426.270 5.382 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)cc1 408758151 GYZWTDDHVISUQW-OGLMXYFKSA-N 430.935 7.299 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408879805 GUIDDNCHDIQFGZ-LSDFYIEESA-N 436.552 6.327 30 40 IKEB CC/N=C1/S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)N1CC 408931118 HJSRWBCMZGTRPI-TZIVZOBOSA-N 445.382 5.340 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc([N+](=O)[O-])c1O 408938679 RCBYDLLMIQRFFW-SKKTVYBZSA-N 441.487 5.886 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 409232113 NCUPGFWAMRHVIC-ATAQLJSPSA-N 430.957 5.760 30 40 IKEB CCOc1ccc(Cl)cc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409283565 JLFSTPIGBRHTHB-UHFFFAOYSA-N 443.890 5.744 30 40 IKEB CCCCc1ccc(CN2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)s1 585294500 GZAVEDYMCZNAEP-UHFFFAOYSA-N 437.638 5.937 30 40 IKEB CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccc(OCc3ccccc3)cc21 1690143461 SSWVYKHCASQYMU-UHFFFAOYSA-N 449.356 5.303 30 40 IKEB CCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 832174 UGYIHEJMGSWRPB-RUZDIDTESA-N 445.559 5.433 30 40 IKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1C#N 1097086 GSTVBPWOPYZSMG-VUTHCHCSSA-N 441.531 5.123 30 40 IKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2237322 WIRILWPNQWSSRS-UOKWBDCBSA-N 441.439 5.497 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)c1 2304136 YZACCTILOSAOID-XKZIYDEJSA-N 446.532 5.511 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(C)cc2)SC1=S 8872401 QXFNKSZJMXWNEQ-ZHZULCJRSA-N 445.993 5.493 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cc2ccccc2o1 9327742 UNEXHPDHOVOIFP-UHFFFAOYSA-N 442.903 5.401 30 40 IKEB CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@@H]2CN=N[C@]2(C(C)(C)C)C1=O 9357872 AVACOHUQWPOENZ-PQDPFJETSA-N 440.591 6.302 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)c2C#N)C1 9640031 NRLZCQKYUVMKKX-LBPRGKRZSA-N 435.599 6.335 30 40 IKEB COc1ccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)cc1 12889121 PWWYPAHTCBJJEM-NRFANRHFSA-N 445.559 5.352 30 40 IKEB biogenic CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1 18107298 WODPAPKCXDYOQJ-XRHLQHRESA-N 444.531 6.354 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 18197474 HACHTJIALLNKIG-JTSKRJEESA-N 439.540 5.185 30 40 IKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 20648846 NGWGGYWOKMYRKF-NHDPSOOVSA-N 443.927 5.150 30 40 IKEB CCCCCCCC1CCC(C(=O)NCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1 97995701 YPDCKGKBVPDEJF-UHFFFAOYSA-N 430.589 5.085 30 40 IKEB Cc1cc(C)c2oc(-c3ccc(C)c(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)nc2c1 100507095 OJNACHLJDKKELK-OPEKNORGSA-N 429.432 5.808 30 40 IKEB Cc1ccsc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 101857679 RPSZMEKANDWJCC-QVMKDISWSA-N 436.646 7.272 30 40 IKEB COc1ccccc1/N=C1\SCCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 103032975 WJQBTRQHJWKXAD-QMWYMTRMSA-N 433.577 5.568 30 40 IKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409085003 YCKOQMPBSIOUIK-KXVDBBMMSA-N 437.008 7.743 30 40 IKEB CCOc1cc(Br)c(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OCC 409098377 LDZUDKJZXWOKGE-NUGSKGIGSA-N 432.240 5.106 30 40 IKEB C1=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C/C1=N\OCCN1CCCC1 8642431 INXREGQZIJKRLL-IANNLWFPSA-N 436.599 6.510 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 9174371 WITXNGJCWMBPKR-NRFANRHFSA-N 444.487 5.527 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 9178591 PRRJUAPXNLMRCP-LJQANCHMSA-N 434.448 5.120 30 40 IKEB C=CCOc1c(Br)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197245 ZEXGHDBCQOTRFN-LSHDLFTRSA-N 444.156 5.453 30 40 IKEB CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)cc1OC 9311178 BCTYUNKGZWFLNH-BOPFTXTBSA-N 447.354 5.056 30 40 IKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@@H]2c2ccco2)cc1 9332484 PMKHIXTVTHTQKW-LMKMVOKYSA-N 428.488 5.355 30 40 IKEB CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)ccc1O 13805611 JRROZVREZHGKHW-PXNMLYILSA-N 442.846 5.355 30 40 IKEB CC1=C(C)C[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C(C)C)cc3)c2C#N)[C@H](C(=O)O)C1 13989222 CKSASDPGDWBESL-WOJBJXKFSA-N 436.577 6.104 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@H]2c1ccccc1 14605393 LGPDOZODHGTGEC-MHZLTWQESA-N 443.591 5.362 30 40 IKEB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N/Nc1c(Cl)cccc1Cl 17107676 RMSMBWQZZQVPFL-RUZOVJKGSA-N 444.233 8.752 30 40 IKEB CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC 19840484 HCLIOQUNAYUTAE-UHFFFAOYSA-N 429.944 5.229 30 40 IKEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccc2c(c1)CCCC2 27300044 PYOLCVIWQFDJKM-UHFFFAOYSA-N 426.367 5.457 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)c2ccccc21 28182578 VTWNAFPHVFGPMF-UFVGZDAISA-N 435.523 6.678 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3cccc4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 34868736 FZSLRAZGMSXNMZ-BGTPXQLESA-N 434.564 7.265 30 40 IKEB COc1cc(/C=N/c2c(-c3ccco3)nc3ccccn23)ccc1OCc1ccccc1F 59639233 JIBXJRBASKMHLZ-LQKURTRISA-N 441.462 6.072 30 40 IKEB N#Cc1c(/N=C/c2ccccc2Br)oc(-c2ccccc2)c1-c1ccccc1 100812370 LMTFFZBZWLWLAH-JVWAILMASA-N 427.301 6.998 30 40 IKEB CCCCCCCCOc1cccc(/C=N/n2cnc3c([nH]c4cc(OC)ccc43)c2=O)c1 101033652 MBDGIKFMAKBYHB-OGLMXYFKSA-N 446.551 5.508 30 40 IKEB CCn1c(=O)c(/C(C)=N/c2ccc(/N=N/c3ccccc3)c(C)c2C)c(O)c2ccccc21 103462022 GEZLFVYKPYVREM-DOJSKZQGSA-N 438.531 6.900 30 40 IKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccc(Cl)c3Cl)C[C@H]12 253497755 ANTLLZHQDMIOLB-SWOQURJZSA-N 447.446 6.959 30 40 IKEB biogenic C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)C[C@H]12 253497860 UELTYJDTQILMTO-FDXZEAEASA-N 446.553 6.671 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)S2)cc1 260562808 BXBPIJDHPIECRA-NQRZERFFSA-N 449.620 6.007 30 40 IKEB Clc1ccc(Sc2oc(/C=N/c3ccc4ncccc4c3)cc2Br)cc1 408850088 FPVUTGUBJNNZTG-WYMPLXKRSA-N 443.753 7.146 30 40 IKEB C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cccc1OC 408911393 JDUMYQBOCINTIM-BHLGTFHESA-N 436.577 5.971 30 40 IKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 408960210 JQMIFODAFJVERR-DMEHKQLVSA-N 434.540 5.306 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Br 409049081 WAOIKXGWNIKIEZ-VXLYETTFSA-N 442.107 5.659 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 409203118 VCXQDGLCUYIITA-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1F 409211860 NIQQXINNFXISOT-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N/c1ccc(OC)cc1 409237793 JMXKBGRBNABJCP-LMDBJESCSA-N 447.354 5.090 30 40 IKEB CC(=O)OC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc([N+](=O)[O-])c2)c2ccccc21 1095765 CEOFTRWNOIJYRB-NRFANRHFSA-N 442.471 5.112 30 40 IKEB COc1cccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)c1 2130912 KLOVVVTVQKMDMX-IOFNULOHSA-N 426.468 5.598 30 40 IKEB biogenic CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1OC 6196508 LVACMOLCSLTQMM-VWLOTQADSA-N 446.547 5.009 30 40 IKEB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc(Oc2ccccc2)cc1 8762066 SHZYKXMHXZSLLZ-CXUHLZMHSA-N 431.944 7.460 30 40 IKEB Cc1cc(C)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n1 8966204 YQRVXKVREOLRIN-KRWDZBQOSA-N 438.603 5.163 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 9335844 SGZIKVSVMXVTGQ-UHFFFAOYSA-N 441.600 5.376 30 40 IKEB CCCC(=O)C1=C(c2cccs2)N(C(=O)CCC)n2c(nnc2-c2ccccc2)S1 9737562 FJWIETAANVSYCC-UHFFFAOYSA-N 438.578 5.115 30 40 IKEB N#C[C@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@@H](O)c1ccc(-c2ccccc2)cc1 12526608 MQMNMFLOTFXECD-BVAGGSTKSA-N 431.967 5.002 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@H]3c2ccccc2Cl)cc1OC 18199319 FGWIEEWJNLXGFK-IQMFZBJNSA-N 449.938 5.347 30 40 IKEB C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccccc4Cl)c(C(F)(F)F)nn23)CC1 21150455 YWHZWPDUYBJNNE-UHFFFAOYSA-N 449.908 5.075 30 40 IKEB CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3ccccc3)N3CCOCC3)o2)CC1 27750358 OKJUKSHRPFHBCQ-JVPYDEADSA-N 436.600 5.496 30 40 IKEB O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 33498963 HNMSPUKYADLJPH-TYULJFPZSA-N 429.350 6.024 30 40 IKEB C=CCOc1c(Br)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408565032 BALIGVUZVIJGIL-KRWDZBQOSA-N 445.313 5.303 30 40 IKEB CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1cccc2ccccc12 408853097 YOCUYSPDFXJHCL-GTZNUUOLSA-N 432.545 5.349 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408859718 PVUNVEZLYRQPOG-ZDLGFXPLSA-N 443.843 5.539 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N\c1ccccc1 408881182 KEHGQGIJJVWENF-DMRDPKHISA-N 431.561 5.772 30 40 IKEB Cc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(CCc3ccccc3)C1=O)OCO2 408907948 QLUYXMUAHPIZGR-YCJCGMCGSA-N 442.540 5.570 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408915405 YBDQSXHXBUCQHA-NPWQOOMGSA-N 425.510 5.314 30 40 IKEB Cc1ccc(/C=N/c2oc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c2C#N)cc1 408978024 XSGZRIJBOKTSNE-QNKGDIEWSA-N 438.530 8.211 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 409213131 SPFSGXQNCACQOX-MFKUBSTISA-N 437.337 5.780 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3c(O)ccc4ccccc34)c(C#N)c2-c2ccc(C)cc2)cc1 409341164 CZIRNIJWDZPXRW-KCSSXMTESA-N 442.518 7.712 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2sc(C)c(C)c2c1=O 2367068 YSSKJXGNFHIWDD-UHFFFAOYSA-N 427.595 5.115 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C#N)C1 2740257 PRFSQXPENOLKOG-LBPRGKRZSA-N 429.010 6.891 30 40 IKEB N#CCCN(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 3235668 KZRZQIMOAHHYKO-UHFFFAOYSA-N 441.512 5.067 30 40 IKEB CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)O3)cc1 3627591 ZMKZYYHUVDWHTH-LITSAYRRSA-N 447.534 6.847 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(Br)cc3)cc1)N2 3666155 AARNPXITCXVHCB-AOYSYPELSA-N 443.388 7.335 30 40 IKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc([N+](=O)[O-])c(Br)cc2O)c1 4181462 DWQLCIIJZDXOKX-DNTJNYDQSA-N 427.682 5.470 30 40 IKEB CC(=O)c1ccc(-c2ccc(/C=N/Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)cc1 8722630 GUCWECKGHXPXSH-YLKCYHHESA-N 444.306 6.170 30 40 IKEB COc1cc(/C=N\N=C(/S)Nc2ccccc2)ccc1OCc1ccccc1Cl 8788976 SSZHIHKPCFFVDZ-OYKKKHCWSA-N 425.941 5.659 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccc(Br)cc1 8990109 JHSFTFBMLKCFND-UHFFFAOYSA-N 449.295 6.694 30 40 IKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2c(Cl)cccc2Cl)cc1 9197691 ZRCKFXNYPQYOCZ-WKULSOCRSA-N 449.381 7.158 30 40 IKEB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1 9632939 LMXSYDDNSBAMPW-UHFFFAOYSA-N 430.529 5.430 30 40 IKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC 9659813 FYLQKXLVNLROKA-WSDLNYQXSA-N 432.343 5.426 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 9720866 BZLMOUWVCAOJSG-MTJSOVHGSA-N 432.505 5.202 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(OC)c4O)cc3)nc2c1 17099283 KVKIVHCJEDZULX-FYDYWCEBSA-N 434.923 7.127 30 40 IKEB CCOc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3s2)cc1 27018242 WRYNQFBHUANZOU-CAPFRKAQSA-N 445.540 6.136 30 40 IKEB CCCCCCCCCNC(=O)c1sc2nc3c(cc2c1NC(C)=O)COC(C)(C)C3 97953968 PEKFHBORDFFJKD-UHFFFAOYSA-N 445.629 5.586 30 40 IKEB CCCCCCCCOc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 98047666 QGCYQMFFKOLOIW-UHFFFAOYSA-N 426.564 7.151 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1 100284932 WACPCPBDAKZAPE-UHFFFAOYSA-N 426.601 6.749 30 40 IKEB Cc1ccc(/C=N\N=C2C(=C(/O)C(c3ccccc3)c3ccccc3)\C(=O)c3ccccc3\2)o1 100727051 NIUOLHPWJOKCPA-VXRBJPDLSA-N 446.506 6.252 30 40 IKEB Cc1c(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 103439425 PNKDORBZKGUUQR-MTDXEUNCSA-N 433.515 5.088 30 40 IKEB C=C(C)C/N=c1/scc(-c2ccc(OC)cc2OC)n1/N=C/c1c(C)[nH]c2ccccc12 103460888 OKNAUPWBZRSTJX-OTZVHCSTSA-N 446.576 5.383 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=O)N[C@@H](CC(C)C)C(=O)O 104323236 CWFMFRSUSWVXKN-QHCPKHFHSA-N 426.686 7.046 30 40 IKEB CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(/N=C\c4ccc([N+](=O)[O-])cc4)cc32)cc1 104335615 SRKKDHXJUSSFLO-NSVULUGNSA-N 445.522 6.981 30 40 IKEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCc1ccccc1C#N 110219944 DRBZEPUQUANTNL-HTIFSWEISA-N 447.541 5.020 30 40 IKEB C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OC)c1OCc1ccc(Cl)cc1 408590738 HRIVOFSPQFEGDR-MUFRIFMGSA-N 446.934 6.078 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 408811532 MNGAXKVAFDYZDH-MOSHPQCFSA-N 427.497 5.198 30 40 IKEB COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OC(=O)c1ccc(C)cc1 408894862 JLZIRSWWZPTOFC-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)S2)cc1 408954433 SYJHEPDKYZXNNR-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2C)cc1 409014112 FEHMTDUMOAJPOL-WJEPFGLZSA-N 429.501 5.451 30 40 IKEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccc(-c3ccccc3)cc1)CC2 409150044 YWMMHIVEXOZERJ-LKUDQCMESA-N 436.305 5.632 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 409202401 QIAOQIBOOXCXRA-VULFUBBASA-N 438.365 6.713 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1Cl 409216589 JPPOSUDIGRWFEX-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB CC(=O)/C(=N\Nc1cccc(C)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 1824208 JBTUNFLRDJYKFS-SLEBQGDGSA-N 427.533 5.349 30 40 IKEB C=C(C)Cn1c(SC/C=C(\C)Cl)nc2sc3c(c2c1=O)CCc1ccccc1-3 2308181 ZWJBTYOPCGVZIP-GXDHUFHOSA-N 429.010 6.034 30 40 IKEB C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1C 9306029 WMXCHGONVWEONZ-UHFFFAOYSA-N 447.589 5.294 30 40 IKEB COc1ccc(Nc2ccc(/N=C3/C=C(c4ccccc4)[C@@](O)(c4ccccc4)C3)cc2)cc1 12524411 XNTQEFLKIURNSJ-IYJXRROESA-N 446.550 6.886 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(N2CCCCC2)CCCCC1 13098395 WPLBTEPBFRAEOS-UHFFFAOYSA-N 433.621 5.628 30 40 IKEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 15979350 UQROHMZONSZAES-MDWZMJQESA-N 437.483 5.166 30 40 IKEB O=C(Nc1cc(/N=C/c2ccc(Cl)cc2Cl)c(Cl)cc1Cl)c1ccccc1 16476779 GOEYNBPIWZLQIT-OPEKNORGSA-N 438.141 7.303 30 40 IKEB Cc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 19647409 IKLBZVHMXYKIIN-JIPXPUAJSA-N 448.526 5.795 30 40 IKEB S=C1N(c2ccccc2Cl)/C(=N/C2CCCCC2)[C@H](N2CCCC2)C12CCCCC2 33435865 MYJVFHLCZRGACJ-QRPHSONGSA-N 444.088 6.634 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@@]3(C)CC[C@@H]21 34107146 SZBWKZHLROZHJQ-OQHVMYPWSA-N 432.560 5.831 30 40 IKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 59137121 WHHYTHNRRUMFSZ-NHDPSOOVSA-N 439.943 6.087 30 40 IKEB CCCCCCCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 97998505 WNGKNWCPADMINN-UHFFFAOYSA-N 448.611 6.575 30 40 IKEB CCOc1c(Cl)cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1Cl 408797384 RMUUYPUEANYXMS-SFHVURJKSA-N 444.314 5.134 30 40 IKEB C[C@@H](NC(=O)COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 408813453 NGPCOVIQRIKJBB-JAYSCUBMSA-N 427.331 6.000 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3c[nH]c4ccc(OCc5ccccc5)cc34)S2)cc1 408897717 ZMZNONTUTQDFIW-CFRMEGHHSA-N 439.540 5.947 30 40 IKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408934074 CNEJTTFKEIYNCU-WMDMUMDLSA-N 436.821 5.306 30 40 IKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC 408944008 TWXSEAHYFCZLPF-HVGHKUKKSA-N 436.555 6.837 30 40 IKEB CC(C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br 409071575 HHVHYJWYIYMTPX-LSFURLLWSA-N 446.223 5.609 30 40 IKEB Cc1ccsc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CC[C@H](C(C)(C)C)C2 409085867 SVTKLPKJHYAUFS-IMVGLAPISA-N 440.634 6.543 30 40 IKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@](C)(O)C(C)(C)O 504225716 BPEQZNMKGFTMQE-FLWQVXPMSA-N 428.657 5.871 30 40 IKEB O=C(c1cc(F)ccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2 2306126 AJJLZQJXFPNRAY-DNQXCXABSA-N 440.854 5.247 30 40 IKEB COc1ccc(/C=C/C(=O)C[C@H](Nc2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)cc1 2344537 OOPCCSFNEKSCOU-WJYGSIPJSA-N 435.907 5.873 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2449011 RRZKAHDGSFROPK-UHFFFAOYSA-N 443.595 6.155 30 40 IKEB COc1cc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccc1O 3149029 YVGFCIAXXMCXLQ-AFUMVMLFSA-N 445.500 6.159 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 6075525 KFWROXZOQYIJKS-UHFFFAOYSA-N 425.985 6.057 30 40 IKEB Clc1cccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)c1 8811981 FVNXXEYNWLWHMH-MUFRIFMGSA-N 435.354 6.849 30 40 IKEB N#CCCn1cc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 9672555 DBEBMEDFGOSAFN-ZHACJKMWSA-N 440.572 5.584 30 40 IKEB CCOc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(Br)cc3)n2)cc1 11852447 HTKHIBVBKJQYSM-JJIBRWJFSA-N 427.327 5.311 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12 12884821 IUHODRMRSHJGHQ-IUSCBXDMSA-N 426.000 5.743 30 40 IKEB biogenic O=c1oc2ccc(Br)cc2cc1-c1csc(N/N=C/c2ccccc2)n1 13739373 OZJRFEAUNYUULH-UFFVCSGVSA-N 426.295 5.125 30 40 IKEB COc1cccc(/N=c2\scc(-c3ccc(Br)cc3)n2N=C2CCCC2)c1 15910399 ZYCIEWJIELWQEZ-LNVKXUELSA-N 442.382 5.998 30 40 IKEB COc1ccc([N+](=O)[O-])c(-c2ccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)o2)c1 16215694 FYSJTHJVVSMFKQ-HCBMXOAHSA-N 427.285 5.005 30 40 IKEB CCOC(=O)c1sc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(C#N)c1C 17094966 PUHVKCDOJJLYSZ-UHFFFAOYSA-N 426.538 5.170 30 40 IKEB COc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 20195778 NYEQMWNKGOKUAI-JFLMPSFJSA-N 440.927 5.069 30 40 IKEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC 23402567 VYHOZHZBCVVZES-BOPFTXTBSA-N 429.303 5.210 30 40 IKEB COc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)ccc1OCc1ccccc1F 36245393 MTGYFMCWKDFMQK-HMAPJEAMSA-N 434.492 5.305 30 40 IKEB CC[C@](C#N)(CCC[C@@H](N)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 60249011 FXLNXOBHZFCAMR-QFQXNSOFSA-N 440.584 5.023 30 40 IKEB CCCCCCCOc1cccc(NCc2ccccc2OCCOc2ccccc2)c1 100039074 OOZPCTJFCHVOQI-UHFFFAOYSA-N 433.592 7.106 30 40 IKEB O=[N+]([O-])c1ccc(/C=C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccs2)cc1 100929459 DDBVHHKTZOBZRM-PRCYJIJMSA-N 439.409 5.002 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 408762540 OZQJEQNSESLIBI-QNGOZBTKSA-N 436.621 6.441 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(Cl)ccc4C)NC3=O)c2C)cc1 408772606 PUNFNHWLOPCNRA-UUYOSTAYSA-N 435.980 6.256 30 40 IKEB C/N=C1/S/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C 408977137 VLZYSRATBDKDAY-OFHYRUQRSA-N 441.767 5.758 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)nc1 409101880 ZIMYLYQAAFAREZ-PGGKNCGUSA-N 444.638 6.222 30 40 IKEB COC(=O)c1cccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)c1C 409105692 JDNFKNPUIKCICH-LUOAPIJWSA-N 430.430 5.049 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1cccc(Cl)c1 409120035 SQGKCBXGJYVOKH-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB N#Cc1ccc(COc2ccc(Cl)cc2/C=N/c2sc3c(c2C#N)CCCC3)cc1 409150018 YIQKRPITOSUOBT-CCVNUDIWSA-N 431.948 6.353 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)c(C)c4)NC3=O)c2C)cc1 409187884 VONVFKHYNDLBSQ-IWIPYMOSSA-N 445.588 6.001 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1-c1ccncc1 409287531 WEOCEVAMIDIKKZ-UHFFFAOYSA-N 425.536 5.129 30 40 IKEB Cc1ccc(C)c2c1[C@@](O)(C#Cc1ccccc1)c1ccccc1[C@]2(O)C#Cc1ccccc1 1564302 LIJDDZSESNXDAV-ROJLCIKYSA-N 440.542 5.192 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C)o2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4576312 YEWBUPCTTJGMFX-HJPURHCSSA-N 425.550 5.210 30 40 IKEB C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc1 6463058 KCOCLJMVEVDUEN-UHFFFAOYSA-N 431.576 5.404 30 40 IKEB Cc1ccc(S(=O)(=O)c2c(C)cc(-c3ccccc3)nc2Oc2ccc(C#N)cc2)cc1 8873857 OFEWYNCWUSGJJQ-UHFFFAOYSA-N 440.524 5.862 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)c(C)c1 8934253 WKOKHHOWWHAYEC-SDHSZQHLSA-N 435.552 5.649 30 40 IKEB C=CCN1C(=O)S/C(=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)C1=O 9324470 SKNMAKXVPBZMCI-HYARGMPZSA-N 445.496 5.339 30 40 IKEB COc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 9331659 IPUYFPMFIOIFJD-CVYRBCPQSA-N 425.484 5.186 30 40 IKEB biogenic CCOc1ccc(-n2c(SCC(=O)[C@H](C#N)c3nc(C)cs3)nc3ccccc32)cc1 9468671 UNPLLBGUYFGDCX-SFHVURJKSA-N 448.573 5.158 30 40 IKEB C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 9548938 XCMFLYGVLPHBDZ-QFIPXVFZSA-N 444.535 5.742 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1Cl 9969589 VNIBCCUKEMSFMR-OAQYLSRUSA-N 437.879 5.110 30 40 IKEB CC(=O)c1ccc(N(C(=O)COc2ccccc2C#N)c2nc3ccccc3s2)cc1 12599752 COYVJUFRNUNGCD-UHFFFAOYSA-N 427.485 5.114 30 40 IKEB Cc1ccnc(N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(Cl)cc2)c1 12634226 ZIVANBKPGUYQHS-HXUWFJFHSA-N 439.298 5.480 30 40 IKEB CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 14271501 WJQQYFKSQNZETR-OAHLLOKOSA-N 441.622 5.296 30 40 IKEB N#Cc1c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CCC2 17096342 JFLICRLUVBGZDL-FNORWQNLSA-N 429.328 6.327 30 40 IKEB Cc1csc([C@H](C#N)C(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)n1 22416133 HBUKWNYUFNWHLF-QGZVFWFLSA-N 431.546 5.107 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21 28182576 VYMNHCMOLIBZQP-MXAYSNPKSA-N 429.903 6.510 30 40 IKEB CC(=N/N(Cc1ccccc1)c1ccccc1)/C(C)=N\N(Cc1ccccc1)c1ccccc1 31671940 SOLCRAFWRRSRRT-WVMMTVHUSA-N 446.598 7.152 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(C)C2=O)cc(OC)c1OCc1ccccc1Cl 41077629 WRKVUOFJFUXZBX-UNOMPAQXSA-N 445.993 5.487 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc(C)c3)c2-c2ccccc2)cc1 59426273 BXKOIMIKWBRTFX-WEMUVCOSSA-N 426.563 8.179 30 40 IKEB N#CC1(c2ccccc2)C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 96400369 YSGMUAQEMWZWRI-HHQODBOJSA-N 444.361 7.285 30 40 IKEB CN(C)c1ccc(/C=N\c2ccc3c(c2)/C(=C/c2ccc(N(C)C)cc2)c2ccccc2-3)cc1 104335100 MRDRCYQHHJZNJG-JZCWSNDBSA-N 443.594 7.139 30 40 IKEB O=C(CO/N=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)Nc1ccccc1 108071279 MSBWXCCCRITHEK-NTFVMDSBSA-N 444.918 6.061 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 224477350 DDLHRZDQPWMUTK-UHFFFAOYSA-N 448.588 5.241 30 40 IKEB CCCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)SC1=Nc1ccccc1 260572569 WWYSEDDAYLITQW-OSCSYLJYSA-N 447.648 6.731 30 40 IKEB Cc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1[N+](=O)[O-] 408752823 CODKOUJKODAHKZ-SXGWCWSVSA-N 446.326 5.174 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)SC1=S 408809745 HVSJYFYBQCICIO-MFOYZWKCSA-N 433.942 5.043 30 40 IKEB Cc1ccc(Sc2oc(/C=N\c3cc(C(=O)O)ccc3C)cc2Br)cc1 408915178 VNXVZQBZSNKQOB-JJFYIABZSA-N 430.323 6.259 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2Cc2ccccc2)cc1 408915403 YATDIQAYVUYAAI-LBMUFILHSA-N 429.501 5.707 30 40 IKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 409046879 SDKDKDIOKXWNJC-OUBWWKSTSA-N 433.667 5.222 30 40 IKEB CCOC(=O)c1c(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)sc2c1CCCC2 409063054 GDULHPNXZXYWHO-DICXZTSXSA-N 434.605 6.579 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409200129 GVMGOEKQBQCTPK-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB Fc1cccc(COc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)c1 409202520 QXGCQRFLRXBPNR-UZWMFBFFSA-N 447.509 8.101 30 40 IKEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C(F)(F)F 409299854 VVEMUCMBGOBLNA-UHFFFAOYSA-N 438.247 5.183 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccc(-c4ccccc4)cc3)C2=C(O)C1 1547208470 GFQWHMBNUNXGFG-RUZDIDTESA-N 431.535 7.132 30 40 IKEB Cc1c(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c(=O)n(-c2ccccc2)n1C 711175 NXQGDFSZBZGREB-JVWAILMASA-N 445.906 5.108 30 40 IKEB CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 1413008 MJCMKTPAJJWGSN-HFJWLAOPSA-N 428.601 7.025 30 40 IKEB Cc1cccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3-n3nnc4ccccc43)c(C)c2)c1 2751238 LTMLSOYXOJWBPB-UHFFFAOYSA-N 441.494 6.240 30 40 IKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(C)c1Cl 3087854 IORFJFAELVJYKO-NSKAYECMSA-N 445.733 7.528 30 40 IKEB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\Nc1c(Cl)cccc1Cl 5493449 RMSMBWQZZQVPFL-VTBQGAJJSA-N 444.233 8.752 30 40 IKEB CCN(CC)c1ccc2cc(-c3csc(N/N=C/c4ccc(OC)cc4)n3)c(=O)oc2c1 8453641 GTJBEUKKECHZAI-AFUMVMLFSA-N 448.548 5.217 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4C)ccc3C1=O)cn2C 8993150 DJOPIGKWMZNAFR-RPPGKUMJSA-N 425.484 5.691 30 40 IKEB C=C1[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 13304927 CRZLCZVPGSGGGD-VSGBNLITSA-N 444.534 6.400 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1ccc(Cl)cc1 16268105 MZNURKXQNRSERB-LJQANCHMSA-N 444.749 7.255 30 40 IKEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(F)cc3)o2)ccc1O 20034024 KJOAVGRKHOLIJL-JFLMPSFJSA-N 427.435 5.865 30 40 IKEB O=C(CO/N=C\c1ccccc1OCc1ccccc1Cl)Nc1ccc(Cl)cc1 33658814 CRGKQOHDDLLEDG-MXAYSNPKSA-N 429.303 5.562 30 40 IKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 33957372 VGYMEBWQLDCBIR-KHJJPSAISA-N 438.518 6.325 30 40 IKEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 48365397 HGOTYGPFFGWLBC-UHFFFAOYSA-N 435.959 5.250 30 40 IKEB N#C[C@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 49722794 HSDUHHRMMLNVIQ-GFCCVEGCSA-N 449.276 6.342 30 40 IKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 59224135 ZNFIVAIHECEXHK-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB C=C1S/C(=N/c2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C 100098903 UWGWRVLVWZBCQF-HIXSDJFHSA-N 447.412 7.377 30 40 IKEB O/N=C(/CCC/C(=N\O)c1ccc(Br)cc1)c1ccc(Br)cc1 100565654 DVJGYTAHCFTURG-ARHRGINZSA-N 440.135 5.439 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC 408855502 FVYHJEVDMRMKIM-QQXSKIMKSA-N 434.561 6.037 30 40 IKEB C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408946001 XWATYTIRQAQUED-UUQTWXEZSA-N 440.974 7.482 30 40 IKEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 409096540 FWLNHEJVZZKTJB-CVKSISIWSA-N 428.448 5.177 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)c(C)c1 409214271 XCZLJUZAMKYSPM-PEOCZFDFSA-N 426.538 5.131 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 861253 SSPBPHSKZQHDGD-SOKVYYICSA-N 439.946 6.801 30 40 IKEB CCc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)cc1 992181 PRHZXBLIJBDRNO-COPMAWBXSA-N 429.973 5.191 30 40 IKEB Cc1ccc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 993577 OQZASONRRBHPCD-VJGNERBWSA-N 429.523 5.588 30 40 IKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 1065118 XEWLVIYGZFVAIE-LPYMAVHISA-N 430.289 5.458 30 40 IKEB Clc1ccc(/C=N\c2ccc(Oc3ccc(/N=C\c4ccc(Cl)cc4)cc3)cc2)cc1 1952304 ZFQPOMJPQNFCKO-LZUTUTKMSA-N 445.349 8.287 30 40 IKEB COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C 2294001 CGGREFCLEAARCV-LYAXJZIPSA-N 437.564 7.403 30 40 IKEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccc2Oc2ccccc2)c1 3380019 WOURFGRCNFJRLC-UHFFFAOYSA-N 428.488 5.199 30 40 IKEB CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)O3)cc1 3627589 ZMKZYYHUVDWHTH-WNJJXGMVSA-N 447.534 6.847 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 4082970 ODDZZRWZCIJQFO-FKAPRUDGSA-N 442.562 7.333 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 5195078 MQYXUWHLBZFQQO-SROVDQKYSA-N 426.729 8.025 30 40 IKEB in-vitro CCCCCCCCCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 8387356 IYXYDPNYLVFCHX-UHFFFAOYSA-N 435.652 7.289 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)no1 8743983 SJAHVJFTNQWEOL-GOSISDBHSA-N 429.259 5.073 30 40 IKEB N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc(-c2ccccc2)c2c1CCCC2 8986388 OBFFEOPTOOZOIJ-UHFFFAOYSA-N 425.384 7.098 30 40 IKEB CCc1ccc(-c2nc(C)c(C(=O)/C=C3\NCCc4cc(OC)c(OC)cc43)s2)cc1 9129155 KXYVMHWSVNSIQI-ZHZULCJRSA-N 434.561 5.068 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(C)cc3)c2c1 11866444 BCEACQWQOXGUAK-UHFFFAOYSA-N 427.500 6.624 30 40 IKEB biogenic O=C1/C(=C/c2ccccc2Br)Oc2cc(OCc3ccc(F)cc3)ccc21 11869777 QSEUVMXYPAVLDG-NHDPSOOVSA-N 425.253 5.783 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1cccc(C)c1 12447502 PVVHWUQRMFXSOI-BUVRLJJBSA-N 444.556 5.783 30 40 IKEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1 19314979 WJFHFMWEDHXODR-XMMPIXPASA-N 431.532 5.187 30 40 IKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)cc1Cl 28629507 DGQIPVZGRSNMMJ-IBGZPJMESA-N 443.883 5.332 30 40 IKEB Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S1 33784016 DAWPIDWECXUDLA-UNOMPAQXSA-N 428.344 5.984 30 40 IKEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 35646205 VCKYBLZNYOVSMN-ZDLGFXPLSA-N 433.291 6.284 30 40 IKEB COc1cc(/C=N/c2ccccc2C)ccc1OC(=O)c1sc2ccccc2c1Cl 59500687 FRFPQSGATOKXHX-VULFUBBASA-N 435.932 6.842 30 40 IKEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 70004374 SPRPKEWDKVWIRV-QHCPKHFHSA-N 447.332 5.201 30 40 IKEB CCCCCCCCCCC([C@@H]1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[C@H]2CCCC[C@@H]21 100301677 BMIYKWRBLFKRLB-SYTTYBMUSA-N 428.789 10.346 30 40 IKEB CCCCCCCCCCC([C@H]1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[C@H]2CCCC[C@@H]21 100301680 BMIYKWRBLFKRLB-IGBXICCASA-N 428.789 10.346 30 40 IKEB CCCCCCCOC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 104335344 VJSGTSCAVKZPEO-UHFFFAOYSA-N 425.613 5.802 30 40 IKEB CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1 108450309 PUGACACYWXKMSL-QFIPXVFZSA-N 434.532 6.282 30 40 IKEB biogenic Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC[C@@]5(C)CC[C@@H]43)C2)cc1 118914866 DJKUHJBPRWSFHW-GUQPKPMOSA-N 430.654 6.502 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 253617260 PMBSWZWCNKVWLV-GKMDBBAJSA-N 442.684 7.139 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(OC)c(Cl)c3)c3ccccc32)c1 408544837 VMOLJZCDHNAFEL-MZJWZYIUSA-N 432.907 5.889 30 40 IKEB CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(C)c1 939696 INXSGCDONIBKPE-UHFFFAOYSA-N 426.520 5.524 30 40 IKEB Cc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccncc1 9311826 WRVPWMXNOSRJTO-WOJGMQOQSA-N 443.359 5.688 30 40 IKEB C=CCN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccccc2)cs1 12807741 PCEZKOHCESRDIX-UHFFFAOYSA-N 437.952 5.423 30 40 IKEB C=CCn1c(S[C@H]2CCOC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 13114665 AQSTVXBZIBSFNU-QFIPXVFZSA-N 442.544 5.062 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]21 13635511 SPICJYJHSFWNHN-YTFSRNRJSA-N 441.943 5.686 30 40 IKEB CC(C)(C)c1ccc(OCc2ccc(C(=O)OCC(=O)NC3(C#N)CCCCC3)cc2)cc1 15187539 INQIPCWEVPJOLE-UHFFFAOYSA-N 448.563 5.063 30 40 IKEB CSc1nc(NCc2ccc3c(c2)OCO3)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820387 INHSVNKWIKSVFT-UHFFFAOYSA-N 432.549 5.375 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19832357 PDSNKZYSTISUEI-HOYKHHGWSA-N 435.951 5.653 30 40 IKEB CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 35982120 QHSIPLRFUZZWRP-KQUPGTECSA-N 431.532 5.096 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@@H]2c1ccc(F)c(F)c1 44858950 VBPPTAHUTKQBRZ-JOCHJYFZSA-N 448.473 5.072 30 40 IKEB CCCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 100867996 PJJHGXVGZRWLMN-FFTVJWTNSA-N 449.635 7.681 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(F)cc1 104376623 JTZGJUSGXZNYJD-BYNJWEBRSA-N 449.724 7.885 30 40 IKEB CC(C)N1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C 223541921 ROMDTCNGUVCSEB-LUILSVGHSA-N 425.489 5.450 30 40 IKEB COc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)O)c1 408853394 OJNGRPAQDYANEQ-ROTLSHHCSA-N 430.287 6.030 30 40 IKEB CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408858478 SLEOORSLLMMQIG-FIKYGGOLSA-N 448.813 8.111 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Br)cc3)C(=O)N2CC(C)C)cc1 408914401 USZRIIHEAFAJKB-CRUFNBOHSA-N 429.383 6.018 30 40 IKEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N1C 408929342 IXRWMDXXZJAMCV-BLYKWHDGSA-N 425.312 5.243 30 40 IKEB O=C1/C(=C/c2ccc(Sc3ccccn3)o2)S/C(=N\c2ccccc2)N1C1CCCC1 408993538 WACBCUGNOGIGQI-XQXXPLCESA-N 447.585 6.372 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccccc1OCc1ccccc1Cl 409035863 KNEIZFWJFMSTBA-JQAMDZJQSA-N 428.735 5.633 30 40 IKEB Cc1ccc(COc2ccc(Br)cc2/C=N/c2cc(Cl)ccc2C)cc1 409215819 BHUADIGMULQGOH-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3cccc(OC)c3)cc2)cc1OC 409382476 NDYVRKQBGFTFLS-DCMOEJRUSA-N 439.939 7.077 30 40 IKEB C#Cc1ccc(C[C@@H](CCCCCCCCCC)CCCCCCCCCCCC)cc1 1857791475 FHWGGZYCCJFROT-HKBQPEDESA-N 438.784 10.668 30 40 IKEB O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 676454 XUFFUKKRWSPSCD-WSDLNYQXSA-N 427.353 5.061 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 6444397 NRGKGSOUFUEMBN-HSZRJFAPSA-N 445.519 5.146 30 40 IKEB Cc1ccc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 8384603 OQZASONRRBHPCD-KWXIBIRDSA-N 429.523 5.588 30 40 IKEB CCCCSC[C@@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N 8442336 YGLCRZTWVACOAJ-JOCHJYFZSA-N 448.657 6.582 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccccc1F 9158004 QGDIUBPZKNDAOA-JAIQZWGSSA-N 429.230 5.968 30 40 IKEB Fc1ccc(N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(F)c1 12572810 FWYINJRNHDDJFT-OCSSWDANSA-N 444.481 6.569 30 40 IKEB COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Cc1cccs1 12652217 LPLOBBGHUSLRJJ-AREMUKBSSA-N 444.556 5.506 30 40 IKEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(Cl)c1 13879681 QZIQGJBGHHMJQF-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)C)cc1 35164397 SXPGLPUQFRPMGI-XMMPIXPASA-N 428.617 5.387 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 35362396 BODQATCYWPONIV-JOCHJYFZSA-N 434.609 5.500 30 40 IKEB O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 100878557 DCUGRKVJPDVMFU-FRMXWXCUSA-N 441.915 5.149 30 40 IKEB N#CC1(C#N)[C@@H](c2ccccc2)[C@H]2CS[C@@](c3ccc(Cl)cc3)(S2)C1(C#N)C#N 102038626 VTZUWSRPCOMUTP-DXIQSLLYSA-N 432.961 5.206 30 40 IKEB CSCCCN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N\c1cccc(C)c1C 102923144 LMRUFPSHQNSKSO-NJMAKWBESA-N 431.026 6.314 30 40 IKEB O=C1/C(=N/Nc2ccc(Cl)c(C(F)(F)F)c2)C(c2ccccc2)=NN1c1ccccc1 102994468 KYVLZMDRHXGDNK-VFCFBJKWSA-N 442.828 5.578 30 40 IKEB Clc1cc(-c2ccc(N=Cc3ccccc3)c(Cl)c2)ccc1N=Cc1ccccc1 257076864 PXPMURPRMMGGBR-UHFFFAOYSA-N 429.350 8.162 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)c(C)c1 408723864 WYFPPRHCZQQSGJ-CIAFOILYSA-N 433.489 5.672 30 40 IKEB C(=N/c1ccc2ncccc2c1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408740429 KNNDPDGVINHVMU-PPFNPFNJSA-N 449.557 8.110 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)cc(Cl)c3O)S2)cc1 408763691 UHSCKOWVCXQIJZ-OVCLIPMQSA-N 437.746 5.262 30 40 IKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408807498 CMCUZODRQHFLFB-KSEXSDGBSA-N 441.281 5.004 30 40 IKEB C=CCn1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 408852875 WUUWTOOBNAHWGO-QRQIAZFYSA-N 439.584 6.771 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(Br)c1O 408906132 HMOWOYQVTIHORU-SLHJDRLVSA-N 447.354 5.096 30 40 IKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl 408936386 FUDCDNAHHZABAY-QNAAZPGRSA-N 442.990 7.706 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Cl)c(OC(C)C)c(OC)c2)S/C1=N/c1ccc(F)cc1 409244691 HHBFBFDLBCYHCE-SGFRRPFJSA-N 448.947 5.899 30 40 IKEB Cc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc(N2CCCC2)c1C 409304224 JILCPRDGIISSDR-UHFFFAOYSA-N 428.580 5.543 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 820511 QPHQPYVLDBBADF-IBGZPJMESA-N 432.358 5.005 30 40 IKEB Clc1ccccc1/C=N/c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 2051778 NXJXNXLKSDAELX-TWKHWXDSSA-N 433.942 7.610 30 40 IKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nc2sc3c(c2c1=O)CCCC3 2182006 UJWCCHCGJITOMV-UHFFFAOYSA-N 437.417 6.122 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1Cl 2450882 KVAMWUXPNXHOBV-UHFFFAOYSA-N 441.000 5.813 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4059642 DZUNJFLGANAYID-RUZDIDTESA-N 445.559 5.433 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1 8821022 AKSVOJDZCYDNFW-XDHOZWIPSA-N 439.334 5.909 30 40 IKEB O=C(Cc1ccc(Cl)cc1)C[n+]1ccccc1-c1nc(-c2ccc(Cl)cc2)cs1 8844857 VJTHJNIIHDJSHQ-UHFFFAOYSA-N 440.375 5.883 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1cc2ccccc2o1 9262869 XPARMPNEIXCCOM-UHFFFAOYSA-N 434.521 5.007 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccco3)sc2c1 9354341 DSGFOHUFBCJRFX-HXUWFJFHSA-N 448.475 5.374 30 40 IKEB C[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1ccccc1C#N 9729569 BITMMWGSGPGUGX-ZDUSSCGKSA-N 436.587 5.858 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccccc1)N(C(=O)c1cccc3ccccc13)c1ccccc1N2 12652174 GRHIJDUPTQCUDF-GDLZYMKVSA-N 444.534 6.661 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@@H]1c1ccc(CC)cc1 13129737 HVKKWIJYLWSTAL-OAQYLSRUSA-N 434.927 5.179 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 13943087 JSRJTDRTOMCTPD-WOJGMQOQSA-N 448.327 5.251 30 40 IKEB CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 15978374 MJULQQBEXPUNPJ-CPNJWEJPSA-N 434.495 6.926 30 40 IKEB COc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCCCC3)cc1 17137858 RJQZSJMPPACSNI-UHFFFAOYSA-N 430.355 5.367 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(-c2cccs2)n1 23995423 IZPVFJHQTYTEKX-UHFFFAOYSA-N 440.619 5.829 30 40 IKEB C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 33733312 CDNXBHOSOQIXSD-UHFFFAOYSA-N 447.391 5.302 30 40 IKEB CCCC(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc12)=C1C(=O)CCCC1=O 100140276 AGHXEBKCNYAXGW-UHFFFAOYSA-N 444.575 5.564 30 40 IKEB Cc1cc(Cl)ccc1/N=C1/S[C@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C 101651061 POZGPPLNQNWARJ-OCLJWFPGSA-N 436.364 5.200 30 40 IKEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 102858715 DZUPHVCNUFEGNO-MOBKVPTQSA-N 448.906 5.150 30 40 IKEB CCCCCCCCCCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 102968153 DMTUOWAZJDFZSU-XDHOZWIPSA-N 443.425 7.865 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)(C)C)cc1 170414892 AOGCZIZFXAISFD-NRFANRHFSA-N 441.593 5.439 30 40 IKEB C[C@@H]1C/C(=C/c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1 245266881 KMSIGDDMAIEECU-RQDKYUEZSA-N 446.182 6.678 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 408669571 HQZXXPTYQLJLNB-UHFFFAOYSA-N 429.004 7.452 30 40 IKEB COc1cccc(/C=N\Nc2ccc(C(F)(F)F)cc2)c1OCc1cccc(C(=O)O)c1 408931247 IXWMDTWGUJSHSW-WKIKZPBSSA-N 444.409 5.437 30 40 IKEB CCCOc1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 408991452 XKTXOGXGMVOLGJ-SJRNUSAWSA-N 442.584 6.148 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1 409101890 ZKOCSCBTCBNQKN-GIJQJNRQSA-N 430.083 5.072 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 409215190 YFMFMOHYLPKJLZ-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 2049238453 WKXDFOKWTASGPK-SPKCQJGSSA-N 432.604 5.664 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781186 VCCPBBWFNKCBSJ-OPAMFIHVSA-N 439.602 5.657 30 40 IKEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1OCc1ccccc1 827332 HYQAPMKZNUWBAS-BRJLIKDPSA-N 439.309 5.869 30 40 IKEB CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2772330 YEARYHYSBIPYSN-JOCHJYFZSA-N 436.621 5.506 30 40 IKEB O=C(NCc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)o1)C(=O)Nc1ccccc1 2964933 VMBNIYOMOHKRJF-WPWMEQJKSA-N 439.471 5.077 30 40 IKEB Clc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(Cl)c1 3113172 VWMGPUMGLYXDFB-KIBLKLHPSA-N 436.125 7.859 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1O 3169578 JDKHGZAYEHQSEM-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB N#Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cc1 9489948 FUJWULVYCABEQW-WMZOPIPTSA-N 445.832 5.321 30 40 IKEB C(=N/N(Cc1ccccc1)c1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 12562054 GYELSMDNSUNNTG-MWAVMZGNSA-N 428.539 6.580 30 40 IKEB Cc1cc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)c(Cl)c(Cl)c1O 16807747 BJBRFEJGRACDEL-UHFFFAOYSA-N 435.332 5.255 30 40 IKEB Cc1ccc(C)c(Sc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)c1 24864041 MQLAEUKIRXKDTM-UHFFFAOYSA-N 432.593 5.753 30 40 IKEB CC(C)c1cc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc(C(C)C)c1O 26787085 DFBQKEBKKBZWMP-UHFFFAOYSA-N 436.577 5.887 30 40 IKEB CCc1nnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 32699682 XSKVAEHLWPPPBV-UHFFFAOYSA-N 430.489 5.161 30 40 IKEB O=S(=O)(c1cc(/N=C/c2ccc(Cl)cc2)ccc1N1CCCCC1)N1CCCCC1 100399235 CSAYVZWGANELKI-XIEYBQDHSA-N 446.016 5.256 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 102804626 RBUCHGOSYOAKIV-NHFXJNLRSA-N 448.475 5.217 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C 102927744 XFPDXDFVYXJGAY-JBCNATCCSA-N 446.572 5.684 30 40 IKEB CC[C@H](C)n1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)c2ccccc21 408933673 JWTFDPLKMXXNDP-YBHPXRPISA-N 447.604 6.253 30 40 IKEB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 409207558 WRLQVFOSTOSUHS-JVWAILMASA-N 445.522 6.038 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccc(C)cc3C)cc2Cl)cc1 409208136 BFLJZNYINOHTCU-DHRITJCHSA-N 448.371 6.437 30 40 IKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c(C)c1 409209223 HWCYKTOVFPSEKC-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CC[C@@H](C)Oc1ccc(Cl)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409279459 HTKCEXATWFMSLV-QGZVFWFLSA-N 437.971 6.157 30 40 IKEB CC[C@@H](C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1OC 409298169 YMDPCHODUTZZMS-GOSISDBHSA-N 433.552 5.512 30 40 IKEB CCCO[C@@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C(=O)c1ccccc1)C(F)(F)F 670420943 DBUAPPJYRIGNCY-NEPJUHHUSA-N 430.238 5.362 30 40 IKEB O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 2232337 CFLWGKJVMIGWKM-HZYJKNPPSA-N 435.936 5.505 30 40 IKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 3162744 FDRTWJYYQPDZSR-NTJMOUOKSA-N 448.276 6.581 30 40 IKEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 9380686 JNEQRSUNGPWPNL-JOCHJYFZSA-N 433.891 5.440 30 40 IKEB CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccnc2)cc1 9680375 FKPXUMGIBDGNSO-WPWMEQJKSA-N 442.592 5.361 30 40 IKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1cc(F)cc(F)c1 14163700 QKFQRHGPTLWXNP-MYODQAERSA-N 439.893 6.058 30 40 IKEB CCOc1cccc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1OCc1ccccc1 16693333 NOZORJVWKNLIOR-VUTHCHCSSA-N 448.994 7.059 30 40 IKEB COCc1cc(C)nc(N/N=C\c2ccccc2OCc2cccc3ccccc23)c1C#N 31839375 ZQJUMGUSGGAEAG-MWLSYYOVSA-N 436.515 5.586 30 40 IKEB C[C@H](Nc1oc(-c2ccc(Br)o2)nc1C#N)c1cccc(C(F)(F)F)c1 72427664 XUNFIZUMKPJMPK-VIFPVBQESA-N 426.192 5.761 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)cc(Cl)c1OC 100052421 CTLPRDBXNZAWOG-SFHVURJKSA-N 438.351 5.169 30 40 IKEB COc1ccc(N/N=C(/C(=O)Nc2cc(Cl)ccc2Cl)C(=O)c2ccccc2)cc1 100586155 OVWUWIMLJHZGAT-NHFJDJAPSA-N 442.302 5.292 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2c(CC)cccc2CC)cc1)S(=O)(=O)c1ccccc1 224373695 KKDUBEQYAFKQDW-UHFFFAOYSA-N 448.588 5.445 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226341089 KOLGCPKUESVHBE-VOTSOKGWSA-N 425.681 5.563 30 40 IKEB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](/N=C\c1ccc([N+](=O)[O-])cc1)[C@H]2/N=C/c1ccc([N+](=O)[O-])cc1 245238785 AXCIBLMNRMNTNI-JPMFDODXSA-N 434.496 5.234 30 40 IKEB C#CCOc1c(Br)cc(CNc2ccc(Br)cc2C)cc1OC 408612568 SPROZVMQYGYOGU-UHFFFAOYSA-N 439.147 5.153 30 40 IKEB CC(C)COc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 408729918 KXOAHRLKYCVDBN-WPWMEQJKSA-N 448.588 5.219 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)ccc1OCC#N 408908785 RYSIETNCNWXIEL-BYCOAOMCSA-N 435.549 5.228 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1C 408910302 GTTLSFHIRAUHPX-YCJCGMCGSA-N 428.557 6.429 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 408912630 OGNTVPNTEWDBRA-FUQOYWQNSA-N 426.585 6.923 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)o1 408961551 NAPPTVCDWGOOGS-HPHYVGLOSA-N 446.528 5.804 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(F)cc3)c2C(=O)Nc2ccccc2)C1 409079749 MDAYYFUJQRQZSO-TVEVAFHQSA-N 434.580 7.041 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409087885 UUXKMDDEUZCNQY-ZDLGFXPLSA-N 442.273 6.056 30 40 IKEB C#CCOc1c(Cl)cc(C[C@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409142177 RRRVILOWDZYCKO-MRXNPFEDSA-N 440.735 5.470 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409209156 GBVZVWVEXOEGFP-YDZHTSKRSA-N 425.282 5.995 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N/c1ccc(F)cc1 409236631 UBBFGABJUDVNHZ-CKAZZZDQSA-N 435.318 5.221 30 40 IKEB C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@@H]2[C@H]1C(=O)C1=C[C@](CC(C)C)(OC)NC1=O 1086455206 XLZMSDIJSDSYBH-PFNISWOYSA-N 427.629 5.602 30 40 IKEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)c1 702437 WTPSFZPLVCHCAL-NRFANRHFSA-N 447.560 5.370 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\c2c(F)cccc2Cl)C(=O)N1c1ccccc1C 2082888 BKUSRCLCTMTBJE-XRKKSIEBSA-N 436.939 6.905 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC 2206409 OAJORYSCEOSTNZ-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1cccc(OC)c1 2452433 VNJFRBRIGISRRW-QGZVFWFLSA-N 436.581 5.384 30 40 IKEB CCOc1ccc(/C(CCCCCCC/C(=N/O)c2ccc(OCC)cc2)=N\O)cc1 4577884 FOUGSWFUINRTOL-DSOYXUETSA-N 426.557 6.272 30 40 IKEB Cc1c(OCc2ccc(Cl)cc2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9422978 VRYCFNBHOQHNDY-ZMOGYAJESA-N 429.903 6.335 30 40 IKEB C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 10240475 WFJIPMXVPDBLCP-OAHLLOKOSA-N 444.963 5.235 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19832359 PDSNKZYSTISUEI-KOSHJBKYSA-N 435.951 5.653 30 40 IKEB CCc1ccc(N/C=C2\C(=O)c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)cc1 20132863 ZMKUEBFCHWOLAN-LFVJCYFKSA-N 432.545 5.044 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)cc1 48253041 PPSZQGMYIBBZHA-RMKNXTFCSA-N 428.315 5.986 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 59676230 WRNOJRGLQXAKBP-CVKSISIWSA-N 438.980 6.682 30 40 IKEB CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 97956237 AOIJPFSDOOPYTG-JOCHJYFZSA-N 447.623 6.706 30 40 IKEB COc1ccccc1NC(=S)N/N=C\c1cc(/N=N\c2ccccc2)cc(OC)c1O 104276407 PKAMBVZMTDOTKZ-MKRFAJQFSA-N 435.509 5.145 30 40 IKEB O=C(O)c1ccccc1NN=Cc1ccccc1OCc1ccc(Br)cc1 254504542 UTHZSAPTYAGCAN-UHFFFAOYSA-N 425.282 5.172 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 408742187 QAEAFHHIASCCRT-IWIPYMOSSA-N 445.588 6.001 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)S2)cc1 408759776 LKIFAPXFQKAVPE-HMAPJEAMSA-N 446.528 5.496 30 40 IKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1Cl 408858402 YTQDTUVVSURODO-OPEKNORGSA-N 445.302 5.636 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O 408909941 FRNGYBCYZPFEQZ-FUQOYWQNSA-N 444.600 6.949 30 40 IKEB COc1ccc(Oc2ccc(-n3c(C)cc(C=C4C(=O)c5ccccc5C4=O)c3C)cc2)cc1 409123104 DUJMFJBAFGNZBB-UHFFFAOYSA-N 449.506 6.358 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(OCc4ccc(F)cc4)c3)c2C#N)C1 409212795 QZNFCRPSUNMTER-FPBZBRPHSA-N 446.591 7.239 30 40 IKEB Cc1ccc(-c2ccc(/C=C3\S/C(=N\C(C)C)N(C(C)C)C3=O)o2)c(Br)c1 409215263 WIUDUNZOBKTCLB-YXKLRJOASA-N 447.398 6.107 30 40 IKEB C=CCN1C(=O)/C(=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S 409328993 BWPCOTGLTWSYFS-PDGQHHTCSA-N 431.966 5.315 30 40 IKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@](C)(O)C(C)(C)O 584569307 BPEQZNMKGFTMQE-SHQGROKJSA-N 428.657 5.871 30 40 IKEB CCCCCCCCCn1c(NCc2cc(Br)ccc2O)nc2ccccc21 1819977 HDHJZGKHWSQGMF-UHFFFAOYSA-N 444.417 6.867 30 40 IKEB COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 8888194 PVCQIYANENDXBU-BGEKPKEUSA-N 436.895 5.981 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)c2ccccc21 9423622 VTWNAFPHVFGPMF-VWVVIRKJSA-N 435.523 6.678 30 40 IKEB N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Br)cc3s2)cc1 10187644 UQUYZKBIUWVJOB-UHFFFAOYSA-N 449.333 5.172 30 40 IKEB COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 11869604 DQKAQYMMVPTNJI-ZLBXDVNXSA-N 428.440 5.095 30 40 IKEB biogenic CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1OC 13568495 APWHKHLFUGVKQB-NHCUHLMSSA-N 433.548 5.222 30 40 IKEB CN(c1ccccc1)c1nc2c(s1)C=C1S/C(=[N+](/C)c3ccccc3)N=C1C2(C)C 16382757 ZPEIGHYRKLCZSB-UHFFFAOYSA-N 431.610 6.061 30 40 IKEB Brc1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 19808972 OODAPYZVOYIJIK-ONUIUJJFSA-N 432.365 5.171 30 40 IKEB CC(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635500 BPIYPYMUFAFGAI-NRFANRHFSA-N 445.611 5.373 30 40 IKEB C=CCC(=S)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 27525985 XVUCJVSGRADZKP-UHFFFAOYSA-N 440.612 7.022 30 40 IKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1 33375693 MBEVVNJRKJPSEU-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB C=CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1Br 35341045 RWHBIKMSBDTRFG-UHFFFAOYSA-N 445.382 5.638 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463799 ZZZMPPKOFYQIDN-AFUMVMLFSA-N 429.501 6.458 30 40 IKEB CCCCCCCCCCCCNC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F 101657622 KRWCFCMJCCYBNK-UHFFFAOYSA-N 445.513 6.325 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C 102927746 XFPDXDFVYXJGAY-MRJHHRETSA-N 446.572 5.684 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408672520 VHMSNNDHVSEAIW-MKMNVTDBSA-N 433.460 5.477 30 40 IKEB Brc1cc(/C=N/N(c2ccccc2)c2ccccc2)oc1Sc1ccccc1 409002046 LUFSPHBSPZEYMW-KOEQRZSOSA-N 449.373 7.366 30 40 IKEB C=CCOc1c(Br)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OCC 409011755 IJQYVEWUPPPKEW-PILJQMSFSA-N 440.359 5.247 30 40 IKEB Cc1cccc2c(/C=N/CCNc3cccc4ccccc34)c(C)n(Cc3ccccc3)c12 409030074 CCGQJVMMOYJMSQ-AJBULDERSA-N 431.583 6.991 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(-c2cccc(Br)c2)o1 409032982 CYWYDKGLPTZCLD-HCGXMYGOSA-N 433.121 5.423 30 40 IKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(OCc2ccc(Cl)cc2)cc1 409053291 NZGLHQVGUJWKCR-WPWMEQJKSA-N 433.964 6.879 30 40 IKEB C=CCc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(OCC)c1OCCC 409065901 KZERJMTXIVCLRH-UHFFFAOYSA-N 449.591 5.646 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OC(F)F)cc2)sc2c1CCCC2 409160136 SRYMVMMZJOQPLH-VULFUBBASA-N 426.488 6.231 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1 409341482 BGGSHWWDORUWCZ-CQSZACIVSA-N 447.391 5.554 30 40 IKEB COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc(Br)cc1 409367687 DOHDSUXJFMNUST-XDHOZWIPSA-N 435.317 5.859 30 40 IKEB CC(C)[C@H]1CC(CC/N=C/c2ccc(N(C)C)cc2)(c2ccc(F)cc2)C[C@H](C(C)C)O1 524732369 WDVYMEQCQYFSKG-UDUYYRNSSA-N 438.631 6.498 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 1450581 KKPOCSRADBIFPD-HXUWFJFHSA-N 430.485 5.235 30 40 IKEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 8781479 VVFSOUCFJSKHDW-QOMWVZHYSA-N 430.507 6.239 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 9067900 CCIVEXPTYGLIBW-SANMLTNESA-N 432.564 6.116 30 40 IKEB biogenic O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc(Cl)c(O)c(Br)c1 9323671 DOKHPVQVRWUBOO-CGOBSMCZSA-N 438.587 5.181 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 9349814 VXQIAZGZAQAYKQ-JOCHJYFZSA-N 442.427 5.151 30 40 IKEB CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@@H]2CN=N[C@@]2(C(C)(C)C)C1=O 9357877 AVACOHUQWPOENZ-ZBOUVJLGSA-N 440.591 6.302 30 40 IKEB C/C(=N\N=c1/scc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccc(Cl)cc1 9369236 MUKOVGSSZRZHGH-IYLGLBRYSA-N 448.935 6.092 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)O)cc1 9482751 UWCGSSAXVGVYTG-RUZDIDTESA-N 432.520 5.003 30 40 IKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1[C@@H](C)Oc1ccccc1 13850314 FFMFMEKYFXEQTC-OAHLLOKOSA-N 430.371 5.659 30 40 IKEB C=CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 16138513 YRFVZTFXIUJEBX-LMTJQJACSA-N 439.540 6.225 30 40 IKEB O=C(O)c1cc(Cl)ccc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)o1 16545913 HLCIHLXSOFTACF-DHRITJCHSA-N 431.835 5.957 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(Cl)ccc1C 17242351 SMPFGNYZGGTKIK-UOODYVSWSA-N 441.984 5.412 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccc(C)cc1 27024748 AFMOCADBQBPWKG-QPLCGJKRSA-N 429.545 6.097 30 40 IKEB O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N/c2ccccc2)N1C1CCCCC1 32124775 WHAQREIOMFWERS-YMERHICUSA-N 431.388 6.930 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(C)c2)CC1 72345268 RVQMNJJXMIOWTA-UHFFFAOYSA-N 439.603 5.184 30 40 IKEB Cc1ccc(C(=O)Nc2cccc(/C=C(\C(=O)c3ccccc3)C(=O)C(F)(F)F)c2)cc1 96870912 SNXHIMZJNQDTNS-RCCKNPSSSA-N 437.417 5.645 30 40 IKEB CCCCCCCCCCCCS(=O)(=O)N/N=C1\N(CC)c2ccccc2C1(C)C 97962833 DOHUPDBBIHLCMC-BZZOAKBMSA-N 435.678 5.958 30 40 IKEB CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N\c1cccc2ccccc12 100954704 BQLAPSVLVYMZJW-PQHDRGKASA-N 439.540 5.583 30 40 IKEB CCCCCCCCCOC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 102818156 RFXOYVOTMQHIJV-UHFFFAOYSA-N 448.542 6.202 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2c1csc(-c2ccccc2)n1 118926533 JHWCRFGEAATSOO-YPZLOKHQSA-N 431.645 7.426 30 40 IKEB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]21C 123290840 CYPQELKXBYBDOE-ABZSAFSGSA-N 446.628 5.154 30 40 IKEB Cc1cc(N=C2NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc(C)c1Br 408753885 KVZCGLOQXPZRDA-MFOYZWKCSA-N 426.339 5.439 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C1=O)OCO2 408870168 SBEOMOYNNLSJGH-IUEAJDLSSA-N 434.561 5.906 30 40 IKEB CCOc1ccc2ccccc2c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 408976957 HGJAVJSWHPFJHP-RDRPBHBLSA-N 440.612 8.160 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o2)SC1=S 409216870 PEPYJYKJHKETOZ-BOPFTXTBSA-N 433.938 5.164 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC 409344425 JMTJJNGRYYJRBJ-UYRXBGFRSA-N 445.993 6.018 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cccc(I)c2)cc1OC 409383383 XDUHABAALGJOOI-UORWWSPDSA-N 443.712 5.881 30 40 IKEB C#CCOc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409402731 JAWUZLGNTFWRBO-UHFFFAOYSA-N 429.479 5.111 30 40 IKEB COc1c2c(cc3c1[C@H](CC(=O)/C=C/C1=C(C)CCCC1(C)C)[N+](C)(C)CC3)OCO2 1280112 OKLOMNFMQPFSRB-GLCJEOIMSA-N 426.577 5.140 30 40 IKEB biogenic N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1 2392366 ORPRKJZLXYKBAQ-UHFFFAOYSA-N 433.558 5.142 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 9015443 GGQVKOBJGQNUHL-ZHSJKAEUSA-N 440.455 5.086 30 40 IKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1 9329784 YVTSYDJOBBLGTG-PCLIKHOPSA-N 430.533 5.468 30 40 IKEB Cc1c(/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n[nH]c(=O)c1C#N 9589146 OLQZWTLLEZLCBZ-WYMLVPIESA-N 449.510 5.278 30 40 IKEB CC(C)CCN1C(=O)/C(=N\Nc2ccccc2OCc2ccc(C#N)cc2)c2ccccc21 12636418 ZCEFETKURFFYJD-BXVZCJGGSA-N 438.531 5.346 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 16138509 YONRPDQDFRYVNA-UHFFFAOYSA-N 444.516 5.091 30 40 IKEB CCO[P@@](=O)(C#CC(C)(C)C)[C@H](NCc1ccccc1)c1ccc(Br)cc1 16688013 PUUDWNUNBVTUBV-IDISGSTGSA-N 448.341 6.559 30 40 IKEB COc1cc2c(c(OC)c1)[C@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 18199343 IWUHSSUOZXNABM-LJQANCHMSA-N 432.289 5.170 30 40 IKEB COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1OC 19820343 BNKCXTUEYQMSHE-UHFFFAOYSA-N 434.565 5.795 30 40 IKEB Clc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccnc3)c2-c2ccccc2)cc1 100396939 CMHIMKMKRDCKGG-ZCTHSVRISA-N 433.942 7.610 30 40 IKEB C/C(O)=N\C(=C\c1ccccc1)C(=O)O[C@@H](C)/C(O)=N/[C@@H](C)c1ccc(Cl)cc1Cl 103732205 FOEGJHLXFMBZKZ-CFWACLDLSA-N 449.334 5.960 30 40 IKEB Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C1=O)S2 253505521 YMDSWPZYGHRYGY-UBBXWXATSA-N 438.702 8.016 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)S2)c1 408781065 QYRDFQVNMVTVFH-JLPGSUDCSA-N 443.616 6.592 30 40 IKEB CCOc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408852146 CNNHAMBSUVAUHG-UUYOSTAYSA-N 436.758 6.996 30 40 IKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408911587 OCOFYYXHDFCFKN-UHFFFAOYSA-N 429.428 5.035 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cl)c(Cl)c1 409051458 DDJVWTDTDIYTCA-NUGSKGIGSA-N 431.175 7.260 30 40 IKEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O 2135119 FCNXREDFYNNIRS-FTWDSPQQSA-N 440.451 5.238 30 40 IKEB biogenic CCOC(=O)c1ccc(C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 2410644 NCQDISQJHZPPLB-PSCYQSDVSA-N 430.529 5.242 30 40 IKEB O=C(C1=C2SC=C(c3ccc(Cl)cc3)N2CCCC1)c1ccc(Cl)c(Cl)c1 3265520 LRIRRHHSTXLGPM-UHFFFAOYSA-N 436.791 7.272 30 40 IKEB COC(=O)[C@@H]1C2=C(C(=O)CC1(C)C)[C@H](c1ccc(C)cc1)c1c(ccc3ccccc13)N2 4707999 UTTGRLMJBOCISR-RDGATRHJSA-N 425.528 5.748 30 40 IKEB N#C[C@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1 4974326 SDMPHYZQABZFTH-JGCGQSQUSA-N 449.597 8.112 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1OC 8820740 DVNKRYDWMOKYOQ-PXNMLYILSA-N 442.846 5.268 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1Cl 9969590 VNIBCCUKEMSFMR-NRFANRHFSA-N 437.879 5.110 30 40 IKEB O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 12284814 BJUUPEVIZOSNSR-CSKARUKUSA-N 430.372 5.919 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(Br)c1)OCO3 12349575 BKRIASRLTWHDJO-HXUWFJFHSA-N 426.310 5.378 30 40 IKEB Brc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 19682248 WCKHDOFNDAMKOH-YZSQISJMSA-N 432.365 5.171 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1ccc([N+](=O)[O-])cc1 20074544 ZBLQYZPEGBDVHL-ZVHZXABRSA-N 444.472 5.384 30 40 IKEB CN(C)c1ccc([C@@H](CNc2oc(Cc3cccc4ccccc34)nc2C#N)N(C)C)cc1 27991462 XQQGNBCSJMBTIH-RUZDIDTESA-N 439.563 5.071 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\N=C/c1ccccc1 32623426 CHGTZCQDZPMJEW-ODLUWJAMSA-N 438.556 5.590 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cc([N+](=O)[O-])c(O)cc1Cl 36237483 UTEVFRQZRBWQID-DEOSSOPVSA-N 448.906 6.417 30 40 IKEB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 59620663 QGRJNRBMBXWRCT-UHFFFAOYSA-N 432.242 6.267 30 40 IKEB CCN1/C(=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 100201461 CHSNQBDGKGXTSF-SLJQUXCSSA-N 449.645 6.692 30 40 IKEB C[C@H]1C/C(=C/c2cccc(Cl)c2Cl)C(=O)/C(=C/c2cccc(Cl)c2Cl)C1 245237818 XTGHSTCJEVFVMM-ZYLOTTRVSA-N 426.170 7.766 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4C)NC3=O)c2C)c1 408757041 WBTJRWDVBOYQMT-XKZIYDEJSA-N 435.980 6.256 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)ccc1C 408906155 ARBNEZSVDSKSTO-KWPJTZOTSA-N 428.557 5.850 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408911592 OCUKTFBZOJCVMA-MSXFZWOLSA-N 446.290 5.935 30 40 IKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 408931561 NDTDHMMITWXNOO-CVKSISIWSA-N 428.363 5.988 30 40 IKEB CC[C@@H](C)Oc1c(Br)cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1OC 408932651 DEVGGOREJKHVCQ-SKBUGYKVSA-N 445.279 6.100 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409105266 LWEYQVBTKFSUNU-BHGWPJFGSA-N 447.329 5.155 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)S1 409242517 OCTVOVYTKYZMSV-BUVRLJJBSA-N 441.531 6.029 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccn1-c1ccc2ccccc2c1 409406077 PVZGWLXMOUBBSX-UHFFFAOYSA-N 440.506 5.890 30 40 IKEB CCOc1ccc(Br)cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409406223 WRSPHQMTXVDRAM-UHFFFAOYSA-N 448.320 5.107 30 40 IKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1ccc(-c2ccccc2)cc1 2340144 QWNPCODHPVHDLX-CFRMEGHHSA-N 425.344 6.090 30 40 IKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@H]1C 4028960 KXDYHZVEOJTNPL-KPZDVAAVSA-N 441.656 6.539 30 40 IKEB biogenic CC(=O)[C@H](/C=N/OCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 8781453 NPIVENQXQWFUMU-WQQCXNOLSA-N 448.133 5.647 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccco3)sc2c1 8915091 QDUJSZVNPLJXFC-IBGZPJMESA-N 434.473 5.136 30 40 IKEB CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccccc3)c2CO1 8934599 RGZSQWSJLLHCNE-UHFFFAOYSA-N 432.907 5.387 30 40 IKEB COc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1OCc1ccccc1 13893296 YUJRDBAFISFXRY-UHFFFAOYSA-N 443.591 5.043 30 40 IKEB COc1ccc(/C(C)=N/Nc2ncc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 13896492 XYEJOTJEMKZVMJ-JFLMPSFJSA-N 441.512 5.914 30 40 IKEB O=C(Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1Br)c1ccccc1 16476815 GEYXZFIJFXNRHE-WSDLNYQXSA-N 440.253 5.066 30 40 IKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccc(Cl)cc1Cl 17101970 AMIUUJYTQBRGGW-JCQPUDPBSA-N 438.358 6.433 30 40 IKEB O=C(/C=C\c1cccs1)c1ccc(N2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 33652717 QEYDNFYAOCVJDX-LUAWRHEFSA-N 446.528 5.652 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)S/C1=N/c1ccc(OC)cc1 97466872 FSAKZRQTWREXPL-CFDZAGTRSA-N 447.354 5.177 30 40 IKEB Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(=O)n(-c2ccccc2)n1C 98086347 GBIHUMJNBWGXIQ-ZMOGYAJESA-N 436.855 5.057 30 40 IKEB COc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O 100288602 NUOJNZDPURANQI-VLYZUMCXSA-N 426.969 6.285 30 40 IKEB CCCCCCCCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 100921854 BGESOWPFWBGFQJ-VWLOTQADSA-N 443.587 6.549 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 102483588 PBFONPZZAZUSLC-AYWGPLOBSA-N 426.516 5.314 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 102533894 RGPZFPVPVVZFBS-JBCNATCCSA-N 448.862 5.183 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1[N+](=O)[O-] 408692335 KDGAAZYFYPJNCW-JLHYYAGUSA-N 432.476 5.384 30 40 IKEB C=CCOc1c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cccc1OC 408909737 DUHHASPSKKPMAJ-RUEJZYPDSA-N 442.540 6.069 30 40 IKEB O=[N+]([O-])c1cccc(-c2csc(N/N=C/c3cccc(OCc4ccc(F)cc4)c3)n2)c1 409070193 XXFPNOKEQJGWFO-DHRITJCHSA-N 448.479 5.882 30 40 IKEB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(C)cc2)nnc1-c1ccncc1 409188518 CONOCTHRWKRZJO-MFKUBSTISA-N 444.520 5.478 30 40 IKEB CSC1=N/C(=N\c2cccc(C)c2)C2(CCCC2)N1c1ccc(Br)cc1 3663429 QMFPWFXXGAFWBE-NMWGTECJSA-N 428.399 6.340 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)s2)C2=C(C[C@H](c3cccs3)CC2=O)N1 6407937 GFBWHKMHZFPNDT-NYHFZMIOSA-N 427.591 5.431 30 40 IKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 8433407 VJQCCQHXCAKKGA-UHFFFAOYSA-N 440.490 6.805 30 40 IKEB CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 9306416 DFZSSNONVFSAFH-CFRMEGHHSA-N 442.467 5.548 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 9462908 GRPULRAITOAXSH-NRFANRHFSA-N 448.862 5.340 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccc(F)cc1 13756757 OGWBNZDYTZHJLE-XODNFHPESA-N 425.294 6.579 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1 15979672 UWBCCRXZFIETDF-PJQLUOCWSA-N 431.488 6.589 30 40 IKEB C(=N/Nc1nc2ccccc2s1)\c1ccc(/C=N/Nc2nc3ccccc3s2)cc1 16975315 SOXLWZZEBCMACC-RNIAWFEPSA-N 428.546 5.798 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2c[nH]c3ccccc23)cc1 19641169 GYCLRVDCSWEASW-GDJIYFAZSA-N 444.538 6.242 30 40 IKEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c(OC)c1 20648127 YNBICIBDNNADEA-MYKKPKGFSA-N 439.552 5.140 30 40 IKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccco2)cc1 21722427 NCBGUCIAQKSRMA-VWLOTQADSA-N 442.515 5.745 30 40 IKEB C=CCN(C(=O)c1cccnc1SCc1c(C)noc1C)c1nc2c(s1)CCCC2 32719087 JCBKAUBUFJAXIA-UHFFFAOYSA-N 440.594 5.147 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc(OC)cc2)cc1 33762623 LCERWMXKKCAQRK-CVKSISIWSA-N 434.948 6.898 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@@H]2c1ccccc1Cl 44858734 BGHYQLSWPWJYOO-JOCHJYFZSA-N 446.938 5.447 30 40 IKEB COC(=O)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 59484210 PVKHNFYPITXPJB-CVKSISIWSA-N 447.947 6.363 30 40 IKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)OC2CCC(C(C)(C)C)CC2)cc1 98001383 SWWQJGLLNQHQEO-UHFFFAOYSA-N 429.645 7.528 30 40 IKEB Cc1nc2cc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)ccc2n1Cc1ccccc1 103633880 QHPDNENGOCDLED-ZMOGYAJESA-N 449.308 5.814 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CO 103676997 CTHUQQFNFRTUSM-LABVOHSBSA-N 439.681 6.977 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 408702956 WSDWNWJYGDHMKB-HXUWFJFHSA-N 448.346 5.387 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(OCC)c1O 408908362 RPVMPNMICCDDQN-KZSGMEKTSA-N 436.577 5.760 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1C 408913073 PJGVJHBNTDWJCK-UINIZAEWSA-N 428.557 6.062 30 40 IKEB Cc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3Cl)cc2)c1-c1ccccc1 408978627 JLCHBAOICCDLMZ-UHFFFAOYSA-N 425.919 6.410 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(Br)s2)C1=O 409000172 XJYNYKLSWSDXBD-RAXLEYEMSA-N 436.352 5.054 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(F)cc3)c2C(=O)NCc2ccco2)C1 409083200 UWNPKBZGDWRLPN-RYPKJOHWSA-N 438.568 6.312 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(I)c3)c2C)cc1 409186393 BMTTZELWWLIKJT-UCQKPKSFSA-N 444.316 5.848 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 409208049 ALYFUEDTOCVQLB-DHRITJCHSA-N 428.757 7.049 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 409213924 WGKGMDPEMPMGNT-DHRITJCHSA-N 428.301 6.235 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1)c1ccc(F)cc1 1414732 MVMVOLLSAFLFRI-XMMPIXPASA-N 440.474 5.128 30 40 IKEB N#CCCN(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccccc1 3268874 RQYCCRBKPZBASF-UHFFFAOYSA-N 441.512 5.067 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccccc1F 3312033 AGCPNEKKAKSWGC-UHFFFAOYSA-N 446.551 5.653 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)cc1 6073803 QQBBNQFAOTXOQM-LNKIKWGQSA-N 431.488 5.137 30 40 IKEB Clc1ccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)cc1Cl 8811557 SAZWGJOQIOZUJB-XODNFHPESA-N 442.777 6.774 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H]3CCc4ccccc4C3=O)n2)cc1 9129359 FLHYFJDGWJRGJG-MHZLTWQESA-N 446.575 6.886 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 9312663 VONWDIDJWONXBY-CJAUYULYSA-N 439.511 5.097 30 40 IKEB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2 9334448 OWJNNMGFSZEVIL-NGYIFUPDSA-N 444.039 5.826 30 40 IKEB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 16807392 QTVGNHNGDIGMKF-IBGZPJMESA-N 437.609 5.596 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(=O)CCCCCCC 85605890 APDLCSPGWPLYEQ-FGQHXKCXSA-N 425.698 6.442 30 40 IKEB CCCCCCCCCCCCSCCSCCCCCCCCCCCC 95810884 WXXCXXVZIQCGNZ-UHFFFAOYSA-N 430.852 10.295 30 40 IKEB O=C1N[C@](c2ccccc2)(C(F)(F)F)S/C(=N\c2ccccc2)N1c1ccccc1 100499062 BKVSGKFSOGKEMG-JDFKBJJRSA-N 427.451 6.052 30 40 IKEB Cc1ccc(/C=N\N=C2C(=C(\O)C(c3ccccc3)c3ccccc3)/C(=O)c3ccccc3/2)o1 100727050 NIUOLHPWJOKCPA-OGLLVQGRSA-N 446.506 6.252 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccc(Cl)cc2)sc1C 102865133 QFQZHKKLTOPBNJ-IBOXJLQUSA-N 430.938 5.101 30 40 IKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C#N 225780204 KQAZYSAYFYKYNK-UHFFFAOYSA-N 447.362 5.587 30 40 IKEB COc1cc(/C=N\c2ccccc2C)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408543115 PBOUHGMBCVUTTD-CEUNXORHSA-N 442.559 5.959 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409213653 UGPKRJOJRXVYLS-VULFUBBASA-N 438.911 6.593 30 40 IKEB CCOc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 409215884 GCJNTGQRUALOKP-OVVQPSECSA-N 445.540 6.065 30 40 IKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccccc1C(=O)O 409218166 YZWRRMOOPXRYEM-FOKLQQMPSA-N 431.717 5.959 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2OC)S/C1=N/c1ccc(F)cc1 409238333 WYZONUDTVYBNBR-UMUYUUQJSA-N 439.556 5.449 30 40 IKEB Cc1c(Cl)cccc1-c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)o1 409292655 FLEARIBMIYNYPU-UHFFFAOYSA-N 445.950 6.548 30 40 IKEB COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OCc1c(F)cccc1Cl 409321849 HONHIYPCIQROIX-UUYOSTAYSA-N 426.896 6.396 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC 409330875 MJRLRSBZOCTRNC-JCMHNJIXSA-N 433.554 5.819 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2cccc(Cl)c2)o1 409404046 JWNQQCSAACKIDQ-UHFFFAOYSA-N 425.875 5.859 30 40 IKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl 2319638 XUEOISDLKKWHFS-LSHDLFTRSA-N 438.771 5.461 30 40 IKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1 2427224 BRPFOMTUFIAXNP-RMORIDSASA-N 440.854 5.692 30 40 IKEB CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC 4046043 BNXKWKMOTCPNTP-HHHXNRCGSA-N 427.544 6.557 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 4080043 IENZLPCPVYGBNZ-LMKMVOKYSA-N 435.354 6.973 30 40 IKEB CCCCCCCCCCCCNc1nc(CC(C)C)nc2cc(OC)c(OC)cc12 8416998 DYNQIWMPBCNRPQ-UHFFFAOYSA-N 429.649 7.178 30 40 IKEB COc1cccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1OC 8915592 NBPKBJDLMJFYBF-LTGZKZEYSA-N 443.499 6.056 30 40 IKEB biogenic CCOc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3s2)cc1 8915645 MYKLJRRQRBXPSB-QJOMJCCJSA-N 427.569 7.242 30 40 IKEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)CCSc2ccccc2)c1C#N 9390688 SCZXSRKYVXDDPV-UHFFFAOYSA-N 436.558 5.369 30 40 IKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 10118742 XXPVUJALOWKESL-STBIYBPSSA-N 430.935 6.205 30 40 IKEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc(-c2nc3ccccc3s2)o1 12684775 DTOKKZMWUMFVAG-ACCUITESSA-N 438.512 5.900 30 40 IKEB C=CCN(C(=O)c1cccc(OC(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 12821867 QSXWDTAAZFVDCU-UHFFFAOYSA-N 431.420 5.153 30 40 IKEB CC(=O)N(c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1)c1cccc(C)c1C 13004639 JWKVXIWFKUSJAL-CSKARUKUSA-N 445.371 6.647 30 40 IKEB COc1ccccc1CN1Cc2cc3ccc(C)c(C)c3nc2S/C1=N/C[C@@H]1CCCO1 13562160 SYLXODUELMHFDE-KQEYZTLISA-N 447.604 5.503 30 40 IKEB O=C(/C=C/c1c(F)cccc1Cl)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 13712961 VFQDPWUHNVOCHI-ZRDIBKRKSA-N 438.285 6.537 30 40 IKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 15979203 HSMANNWPTVRTGH-WTDSWWLTSA-N 444.270 6.599 30 40 IKEB CCCCCOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 20102421 NRDBJDKPOMYMQR-JBASAIQMSA-N 439.603 5.977 30 40 IKEB CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 20477863 FAEKLPPFAZGWRW-UHFFFAOYSA-N 435.608 6.229 30 40 IKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC 100251477 VZESTVTXFIMOOI-FTTVTTNZSA-N 438.622 5.218 30 40 IKEB O=[N+]([O-])c1ccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 110463177 WYUYVPLQBXQEAG-UHFFFAOYSA-N 431.502 5.679 30 40 IKEB CO/N=C(/C)[C@@H]1/C(=N/OC)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257198390 KLCZPBNZZJGNRW-ITGREXNJSA-N 432.605 5.212 30 40 IKEB C[C@@H](Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 408817128 XDMKMXGMKYAWSP-DHYUORNGSA-N 444.512 5.347 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)ccc1OCC(C)C 408854630 JKKVSTMTFMTXPI-XKZIYDEJSA-N 440.565 5.329 30 40 IKEB CC/N=C1/S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N1CC 408928634 CQEJSXWULVOXTB-TZIVZOBOSA-N 445.382 5.340 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)S2)cc1 408965291 JYUUPUPYUBUBGO-HZHRSRAPSA-N 430.529 5.474 30 40 IKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(Cc3ccc(Cl)cc3)c12 409132546 KADMEBMCLHOZGN-UHFFFAOYSA-N 425.915 6.368 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1C 409209763 HWJWQRKGTUSCDE-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CC[C@H](C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 1531382574 RSKPMQDBCJPZMB-CICSQNLLSA-N 427.504 5.132 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1F 2323804 MCGGZVPZMLZSIY-UHFFFAOYSA-N 429.499 5.393 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S 2851990 LRZHHYIZOMOTIQ-WQRHYEAKSA-N 436.385 5.960 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3117349 NNBXMQZZOPNONS-WSDLNYQXSA-N 425.784 5.126 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 6406693 XLTUYEOKLDGWRD-OXJNMPFZSA-N 446.330 5.059 30 40 IKEB COc1ccc(/C=C/C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)cc1OC 8441977 TVHUKQMPMAEWIL-ACCUITESSA-N 432.907 5.651 30 40 IKEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@H]1C 9186723 KXDYHZVEOJTNPL-JWJICDHNSA-N 441.656 6.539 30 40 IKEB Cc1csc([C@@H](C#N)C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 13074842 WKGUQSOQNQRCML-SFHVURJKSA-N 431.542 5.742 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 15303959 LLNRKJFJWZESND-AFMDSPMNSA-N 448.488 6.993 30 40 IKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 16035569 YDYMOCFTSGSEFB-PJQLUOCWSA-N 431.488 6.589 30 40 IKEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccccc3Cl)S2(=O)=O)cc1 20558772 ANHDSTGRRTUDFC-HYARGMPZSA-N 438.936 5.135 30 40 IKEB Cc1ccc(/N=C2/S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2CCc2ccccc2)cc1 32193914 OQTDJJNPAGHXHE-TVBXNAKKSA-N 442.540 5.540 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OC)c1OCc1ccccc1 59104662 GNFNUEVPKUBEOA-CENQWQLUSA-N 436.577 5.315 30 40 IKEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OCC)c1 59535948 LWWCJEORTONEHV-VULFUBBASA-N 441.984 5.289 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)cc1C 59678615 BJLUGQROZGLGAQ-BOPFTXTBSA-N 446.370 5.151 30 40 IKEB CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(N/N=C(/C)CC)sc3c2C)cc1 72228700 JBSHWGCPFVTRFO-YUMHPJSZSA-N 438.597 6.542 30 40 IKEB N#C[C@H](C(=O)c1cc2sc3ccccc3c2s1)S(=O)(=O)c1ccc(Cl)cc1 102143701 CKLMXDFMAKCXIV-QGZVFWFLSA-N 431.947 5.318 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 224471990 WSHXWFQMWOIKCY-UHFFFAOYSA-N 448.588 5.241 30 40 IKEB CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C 253617993 JKWKMORAXJQQSR-IHDDDBKGSA-N 428.657 7.181 30 40 IKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(Br)c(Cl)c1 408595814 OQEOBFURSKBJGQ-BRJLIKDPSA-N 442.744 5.932 30 40 IKEB O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)Nc1cccc(Cl)c1 408810786 PZWDWYXUWIAYES-CFRMEGHHSA-N 443.728 5.871 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 409212451 QDFWQXWBSGJVLS-OGLMXYFKSA-N 440.499 6.344 30 40 IKEB C=CCOC(=O)c1c(N)oc2c(-c3ccc(C)cc3)c3c(C(=O)OCC=C)c(N)oc3cc12 1782052 KVIMBKUZZUSEOD-UHFFFAOYSA-N 446.459 5.004 30 40 IKEB COc1ccc([C@@H]2NC(=S)N(c3ccccc3)C(c3ccc(Cl)cc3)=C2C(C)=O)cc1 2616081 CSDRUCPTCFAUKJ-QHCPKHFHSA-N 448.975 5.785 30 40 IKEB Cc1ccc(C(=O)O/N=C2\C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)cc1 3063996 GCHLXCJTQVXSQY-QLYXXIJNSA-N 439.298 5.410 30 40 IKEB CCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3137962 SORYLCGYKXUZOR-UHFFFAOYSA-N 440.452 5.622 30 40 IKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(F)cc2)[C@@H]3c2ccccc2)cc1 8733569 DBZUMVUNZTXCPW-HPFVHPJRSA-N 436.482 7.038 30 40 IKEB CCCC/N=C1\S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)N1CCCC 8821670 WYNTXVSRDXPBNC-NVZLDUMVSA-N 441.553 6.036 30 40 IKEB C=CCn1c(SCc2ccccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 9261537 CWDMSIQLYQLERE-FQEVSTJZSA-N 441.000 5.537 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 9349817 VXQIAZGZAQAYKQ-QFIPXVFZSA-N 442.427 5.151 30 40 IKEB Cc1cccc(/C=C2\Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)c1 9419167 HBHLUIVDDYORAY-IMRQLAEWSA-N 447.490 6.948 30 40 IKEB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/Nc1nc2ccccc2s1 12566289 ZRDJZFZIGCEBIJ-YSURURNPSA-N 435.862 5.909 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccs1 12652085 KJMSMMFOWBHWCR-DEOSSOPVSA-N 428.557 6.205 30 40 IKEB COc1ccc2cc(/C(C)=N/Nc3c(Cl)c(Cl)nc(C(=O)O)c3Cl)ccc2c1 13343832 SLQUNOLVBWQQTE-PGGKNCGUSA-N 438.698 5.738 30 40 IKEB COc1ccc(CCNc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1OC 18143808 FRCKCJNHMGHCPN-UHFFFAOYSA-N 435.527 5.959 30 40 IKEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C(C)C)cc1 20170962 OCWVAGXFLJQITH-HSZRJFAPSA-N 438.568 5.022 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 33663440 HEIQFVSHJJSTBS-RQBVCSNNSA-N 439.367 7.110 30 40 IKEB CCOC(=O)c1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 100216222 BGTFTNLKLNVFBW-YSMPRRRNSA-N 436.895 5.285 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O 409046775 LXSJQCGRRMBWHO-LFVJCYFKSA-N 442.540 5.343 30 40 IKEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Br 409062658 YMKAFHVHXKCGRI-BOPFTXTBSA-N 448.725 5.355 30 40 IKEB CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br 409086269 UYZOMQIPBXENRA-SQAVSUBZSA-N 444.442 6.350 30 40 IKEB CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 409090194 LBVNBZFEYPXMKZ-MKIITAJQSA-N 442.028 6.446 30 40 IKEB CCN1C(=O)/C(=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 409192862 GFRPQCOENXSXAB-HPNDGRJYSA-N 429.545 5.367 30 40 IKEB CC(C)Oc1cc(N(C)C)ccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409279913 IUHDRZUDPYDHPT-UHFFFAOYSA-N 432.568 5.180 30 40 IKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=C/C=C/c1ccccc1 409297813 XRGGGYXFGGGTDF-ZCOZDIQBSA-N 425.875 6.010 30 40 IKEB N#Cc1c(/N=C/c2ccc(I)o2)oc(-c2ccco2)c1-c1ccco1 409369935 HWGGZBZYLPPHFT-UFFVCSGVSA-N 444.184 5.619 30 40 IKEB COc1cc(/C=N\OCC(=O)Nc2ccccc2)ccc1OCc1cccc2ccccc12 409377830 LEGGXGGCZKFWDK-QRQIAZFYSA-N 440.499 5.417 30 40 IKEB CCCc1ccc(-c2ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 575243081 PUOUFKWQQNTONS-UHFFFAOYSA-N 442.321 6.957 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 861071 YROSDODVBIPNCI-RXFWQSSRSA-N 445.534 5.673 30 40 IKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(C34C[C@H]5C[C@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 1882157 VYVUKOXGKDCJMX-VCIGSRLRSA-N 436.555 7.135 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(=O)c1ccccc1)[C@H]2c1ccccc1 2151198 UKNIOFICYOMGDJ-VWLOTQADSA-N 448.566 5.987 30 40 IKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 3323465 ZMWSLDLFNXPIOB-UHFFFAOYSA-N 432.420 7.028 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2 4065503 WPJSWEYGXJTELH-PUAOIOHZSA-N 435.354 6.973 30 40 IKEB COc1c(Br)cc(Br)cc1/C=N/Nc1nc2ccccc2s1 4133085 ANEHNMDAGHNGFH-QGMBQPNBSA-N 441.148 5.276 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 6446969 KLHVXTQDXAFNIP-LJQANCHMSA-N 447.903 5.128 30 40 IKEB C(=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)\c1ccccc1 8383308 NJYHHTCFAHCIPJ-SMJITPNZSA-N 428.579 7.315 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 9108766 AVZZHJNMFUSRLU-FQEVSTJZSA-N 434.835 5.031 30 40 IKEB CCCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc23)S/C1=N\c1ccc(C)cc1 9304632 DQXVIDBRVRIHAD-HXNPFYCNSA-N 430.573 6.561 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1C1CCCCC1 9987561 QQHRCHUFUTYYGG-UHFFFAOYSA-N 435.391 5.005 30 40 IKEB C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2OC)c(O)c1 11865069 FRRRHEVSVKWAKH-UHFFFAOYSA-N 431.414 5.081 30 40 IKEB biogenic COc1ccc([C@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)c(OC)c1 13567922 VYFNSCABOXKJSB-QGZVFWFLSA-N 425.912 5.193 30 40 IKEB COc1ccc(C(=O)C(C(C)=O)=C(SCc2ccccc2)SCc2ccccc2)cc1 15221031 VGPOXRMRAHEYBR-UHFFFAOYSA-N 448.609 6.545 30 40 IKEB biogenic COc1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1 16901503 RAODBYKFQKPPRJ-IMRQLAEWSA-N 435.955 5.084 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc2c1 19648623 ZEJJHWKGOBTBNJ-NXYZXBHKSA-N 449.348 7.227 30 40 IKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccnc2ccccc12 58167190 QYNPXBBHIZVBNV-SDNWHVSQSA-N 434.926 7.308 30 40 IKEB CCCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176686 OISFIYRYEARUJD-AJBULDERSA-N 437.974 7.898 30 40 IKEB O=C1/C(=N/Nc2ccccc2)c2cc(Cl)ccc2N1Cc1cccc(C(F)(F)F)c1 100327170 VFLBDEVHPPWTGU-VFCFBJKWSA-N 429.829 5.722 30 40 IKEB O=C(CO/N=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)Nc1ccc(Cl)cc1 109023840 MAECSNYZBSHZMT-ZRGSRPPYSA-N 447.293 5.701 30 40 IKEB N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 215734567 SJNVXKQLQJVSNM-UHFFFAOYSA-N 447.413 5.389 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@H]32)C1 245241021 WKXDFOKWTASGPK-QGBFILQASA-N 432.604 5.664 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@H]32)C1 252483225 DXRJBJUDWMWZPC-ZWXAKWCWSA-N 436.596 5.185 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 408576003 QCZAWWNKBAWXDP-UHFFFAOYSA-N 431.875 5.129 30 40 IKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O 408909781 IDPQKBXPEHEGKK-GJHWIIEUSA-N 428.557 5.932 30 40 IKEB CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Br 408964095 FVLBQDZGZVWQKZ-LDADJPATSA-N 448.361 5.326 30 40 IKEB COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 408979238 LPEJAWYBERLTBL-LFVJCYFKSA-N 443.474 5.282 30 40 IKEB CCCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409084935 YNGMIJZVGSMCSS-PJLCQNFYSA-N 444.644 7.853 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cccc(I)c2)cc1OC 409383384 XDUHABAALGJOOI-WLQYJRLHSA-N 443.712 5.881 30 40 IKEB CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C)cc2c1 887555 NOPLNOSIAIVRDH-UHFFFAOYSA-N 437.590 5.485 30 40 IKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc([C@@H](C)CC)cc1 2360271 HBUDVDLJFRZUIY-INIZCTEOSA-N 426.611 5.361 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NC[C@H]2CCCO2)cc1 3177506 NCRXMKZGGATECI-SNVBAGLBSA-N 436.418 5.035 30 40 IKEB Cc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C 8815843 PXQBQFHCMZUKTB-OCLJWFPGSA-N 436.364 5.200 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8820936 HLRMYVMGUKEJDO-LICLKQGHSA-N 449.746 6.798 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc(Cl)cc1 9261312 QMQJEKHQXPJWHT-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB COc1cc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)ccc1OCc1ccccc1 9373387 VAGTUOOZPXMFLN-QNGOZBTKSA-N 439.467 5.017 30 40 IKEB O=C(O)c1ccccc1/N=N\C(=N/Nc1ccccc1C(=O)O)c1ccnc2ccccc12 17106655 IUTMHRDDOZEMKA-MTXIPQCSSA-N 439.431 5.189 30 40 IKEB CCCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 97950478 RGYTZUZQNXIZMP-UHFFFAOYSA-N 443.682 7.106 30 40 IKEB N#Cc1c(NC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)oc(-c2ccccc2)c1-c1ccccc1 101258873 SPLDJWQKNDEDDN-YYWHXJBOSA-N 438.483 5.179 30 40 IKEB aggregator Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c1 101650301 ZBLYCIJQJADOJS-CLXZYQIKSA-N 436.364 5.200 30 40 IKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]21C 123290629 CYPQELKXBYBDOE-IVQKSJBWSA-N 446.628 5.154 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)cc2)cc1 408534624 TWFUGOIGGHFZAT-UCQKPKSFSA-N 442.565 6.254 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)S2)cc1 408767679 ZXYKKPCFTIUVCG-BKUYFWCQSA-N 432.501 5.407 30 40 IKEB C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OCC)c1OCc1ccccc1C#N 408910875 LRHBCMMAGQHWIB-UHFFFAOYSA-N 449.506 5.727 30 40 IKEB COCc1cc(C)nc(N/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1C#N 409077816 ADLZMYDPPDPAJB-MUXKCCDJSA-N 430.552 5.028 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 409200565 IFISBSVSEDATHW-BRJLIKDPSA-N 430.287 6.030 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C 2093929 JNRVMJGWQKYZGA-UHFFFAOYSA-N 443.566 5.798 30 40 IKEB CCCCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12 2307600 RXVHZBBATKSCOU-UHFFFAOYSA-N 425.956 7.081 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c[nH]c2ccccc12 2660735 FLMQLEJEVTVLOP-UHFFFAOYSA-N 438.940 5.153 30 40 IKEB N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCc1ccc(C(=O)O)cc1 3653505 SRYHLJUVSCMIDM-UHFFFAOYSA-N 434.567 6.401 30 40 IKEB N#Cc1c(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)sc2c1C1CCN2CC1 3773541 SQJHJTMQFOMTCK-VULFUBBASA-N 444.516 5.272 30 40 IKEB O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Br)cc1)c1ccccc1 8715662 FACFRSNELMLMHL-FQEVSTJZSA-N 440.337 5.360 30 40 IKEB COc1cc2c(cc1OC)C1=C[C@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1CC2 9128770 BJQAEPSZBKQFFF-HXUWFJFHSA-N 433.523 5.483 30 40 IKEB CCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1OCCOc1ccc(F)cc1 12595643 LTYYKTPGFCIJRD-NTUHNPAUSA-N 446.474 6.325 30 40 IKEB O=C1/C(=C\c2ccccc2)CN(C(=O)Oc2ccc(Cl)cc2)C/C1=C\c1ccccc1 18125567 FNXCWBHQNWTCOR-KBNZVFGVSA-N 429.903 5.891 30 40 IKEB N#Cc1ccc(CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CC(F)(F)F)cc1 32935370 JFNGODVNWINSMW-UHFFFAOYSA-N 449.527 5.371 30 40 IKEB CN(C)c1ccc(/C=N/c2ccc3nc(SCc4ccccc4)sc3c2)cc1[N+](=O)[O-] 100252166 RHGBKZMWTPSQMD-ZVHZXABRSA-N 448.573 6.313 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc(C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)cc1 100810639 SKBIBFMWLDMRFV-ZYXZVSRBSA-N 426.354 5.488 30 40 IKEB CCN1/C(=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 102149336 FHDQEWZBUVEURS-QDJRPKQISA-N 441.666 6.385 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1C 408759943 OQNUMFNWZASOCD-UUYOSTAYSA-N 435.980 6.256 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 408820170 VUKKXVHTDNJAMQ-HAHDFKILSA-N 445.540 5.822 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc1 408914991 WNDDRGHJCCTVJV-KWPJTZOTSA-N 428.557 5.850 30 40 IKEB CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1OCC 408978466 MGBIVCTVTJYZOD-WPWMEQJKSA-N 434.605 7.406 30 40 IKEB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2cccc(Cl)c2Cl)NC1=O 409064847 QEUZTPAWUZGOPR-PDGQHHTCSA-N 448.375 5.030 30 40 IKEB C#CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccc(Cl)cc2)N(CCC)C1=O 409086586 WCROXQZNMINETR-SOMGSRHFSA-N 445.371 6.019 30 40 IKEB C=CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1Br 409200148 HAQSKPZNKOYBSX-RGVLZGJSSA-N 425.120 5.536 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)cc2)cc1 409231809 MIKURGXNJJHWQZ-HAHDFKILSA-N 430.598 6.655 30 40 IKEB CCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc23)S/C1=N/c1ccc(F)cc1 409231871 LGRXTCWJASKVEJ-VBJFXANNSA-N 436.508 5.620 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1ccc(F)cc1 409240467 UAPXDSCENWXUFW-ATAQLJSPSA-N 437.452 5.618 30 40 IKEB COc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1C 409276764 WCBXETKTZANBDS-UHFFFAOYSA-N 437.421 5.282 30 40 IKEB COc1ccc(/N=C2\C(=O)N3c4c(cc(C)cc42)C(CN2CCCCC2)=CC3(C)C)cc1 618256904 NLTZDBXYBAORLK-COOPMVRXSA-N 429.564 5.133 30 40 IKEB Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1 1446273 OEYYIIQKGKVDPR-ZCYQVOJMSA-N 441.512 5.694 30 40 IKEB N#Cc1c(Sc2ncc(C(F)(F)F)cc2Cl)nc(-c2ccccc2)c2c1CCC2 8782275 XEZSEJXFXCJRHC-UHFFFAOYSA-N 431.870 6.327 30 40 IKEB COc1ccc(C(=O)/C=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 8857417 ZUVZCVGRAQQFML-XNTDXEJSSA-N 445.971 7.085 30 40 IKEB C=CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1OC 9465552 SBHISCJGSCUUHI-MRXNPFEDSA-N 432.549 5.293 30 40 IKEB Clc1cccc(/C=N\Nc2nnc(N/N=C\c3cccc(Cl)c3)c3ccccc23)c1 31670021 CYKZGUGAOIRLRS-WFBNZKAHSA-N 435.318 5.829 30 40 IKEB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(O)c(Br)c1 36245314 OZIYDCKYRPBCEY-VGOFMYFVSA-N 443.244 5.065 30 40 IKEB N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)n2)c1 89851253 XVRCKAQJLUGAEI-UHFFFAOYSA-N 445.482 5.200 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)n1nc(SCc3ccccc3F)nc1N2 96319730 ZANBSNHVQUHHKS-HXUWFJFHSA-N 440.931 5.385 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 97953998 LNORPCKBEUJCKK-UHFFFAOYSA-N 444.579 6.407 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)c1 102536545 HWIHXMLIRVYVIF-XRODADMRSA-N 438.612 6.248 30 40 IKEB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)C=C(O)C(=O)C(C)(C)[C@@H]1CC3 263609179 UTKPULHOQVNYNK-MXOYMTQISA-N 438.696 8.349 30 40 IKEB COc1ccc(C/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 408782263 GNKFSKGMHKZOTA-UCQKPKSFSA-N 444.316 5.326 30 40 IKEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O 1081801600 YKCFBZLHKFKMBQ-BTZNOAQDSA-N 448.858 5.111 30 40 IKEB COc1ccc2cc3c(nc2c1)S/C(=N/Cc1ccco1)N(Cc1ccc(C)cc1)C3 1360894 MLYWSHPYVAUXKE-OCEACIFDSA-N 429.545 5.809 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1450491 GPZYWWTWTRLGPW-JOCHJYFZSA-N 446.503 5.072 30 40 IKEB C=C(Br)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 2316631 BCSPLWPQMSPYGZ-UHFFFAOYSA-N 447.423 5.635 30 40 IKEB C=CCNC(=S)c1c(-c2ccccc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 2359511 CVJWZJAHLNIRNW-UHFFFAOYSA-N 446.019 6.516 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccccc2)o1 2622776 HJYGKBBEQTZTBB-UHFFFAOYSA-N 439.928 5.039 30 40 IKEB CCC(C)(C)c1ccc(Oc2ccc(/N=C/C=C3/N(C)c4ccccc4C3(C)C)cc2)cc1 3216077 QJFBBUIYMIBCDH-AWSOHPLHSA-N 438.615 8.180 30 40 IKEB O=C(C[C@@H]1S/C(=N/c2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1 3247366 VUACMHXARXTOTL-YPYXJLKGSA-N 439.924 5.094 30 40 IKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 6245015 XGSJLMWJNHPIQN-YDZHTSKRSA-N 428.317 6.066 30 40 IKEB Cc1cccc(C)c1/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CC1 12618546 ZKQOYYSKIQLWCJ-HMHYKHAESA-N 443.572 5.579 30 40 IKEB CC(C)C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Oc2ccccc2)c1 12856320 BEFUWMVQNXRZDW-AFJIDDCJSA-N 438.571 7.337 30 40 IKEB CCOC(=O)c1cc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)sc1/N=C/N(C)C 13305895 QUDJBXXSHYGUEU-DGUMBQRESA-N 447.775 5.552 30 40 IKEB c1ccc([C@@H]2C/C(=N/N=C3\C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 13424709 YRRHIUDRTJZIPK-VQUOBEOXSA-N 444.534 6.928 30 40 IKEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc23)C1=O 13617361 ZETWLCDQKVYEKX-VDFJPTLYSA-N 447.560 5.101 30 40 IKEB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 13880825 VPMSMQTXADUFCU-VJNSTGJUSA-N 445.327 6.096 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)nc1 14361340 FNHYBDQZAPWDBT-WYMPLXKRSA-N 437.516 5.722 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(OC)c1 16807921 BIHWNIJHNCGQQX-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1cccc(Cl)c1 27024759 HNVWAVYFYDHHBJ-LCUIJRPUSA-N 449.963 6.442 30 40 IKEB Clc1nc(COc2ccc(/C=N/c3ccccc3)cc2)nc2sc3c(c12)CCCC3 28219408 ADBUXXZZGDKZTD-VULFUBBASA-N 433.964 6.553 30 40 IKEB C[C@@H]1CC/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C\C=C\c1ccccc1[N+](=O)[O-] 34105388 QHSOFLQDNNTTDE-PAJPDAOGSA-N 430.460 6.081 30 40 IKEB COCC/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1sccc1C 103372165 FMYCXBPCOAHEDI-TZBYAMTHSA-N 426.394 5.323 30 40 IKEB CCOc1cc(C)c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OCC 108157553 OWKJRHXRHFFKEB-WPWMEQJKSA-N 427.504 5.052 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCN1CCCCC1 118918524 LDRSZLORBJFCJZ-YNHSGCSHSA-N 427.629 5.306 30 40 IKEB C#CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226340534 PDYREQOFSCLXJB-UHFFFAOYSA-N 429.697 5.625 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)SC1=Nc1ccccc1 260562722 BMRRTKZNMLZOPG-WFGOECQOSA-N 447.648 6.811 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\C(C)=C\c3ccco3)C(=O)N2c2ccc(CC)cc2)cc1 408855663 FXLRBKYBCFKKAL-VCNHSGRNSA-N 442.584 7.159 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N2C(C)C)cc1 408910524 GZOVETAQFZLHQA-QMSJJHEMSA-N 447.516 6.176 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 408911928 PANIJJZTEYNCCK-PEBOIGEYSA-N 427.573 6.118 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccccc4s3)o2)S1 408988655 FJLITEFMUQDBPB-PDGQHHTCSA-N 449.582 6.241 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OCC)cc2OCC)C1=O 409005377 ZQQKEYKSKZFEKY-ZHZULCJRSA-N 439.533 5.028 30 40 IKEB C=CCc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1 409008992 QGHBINAUDQPYBG-XQNSMLJCSA-N 440.499 5.100 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409053763 PFYJJAGFYOXPAZ-WQRHYEAKSA-N 448.396 5.715 30 40 IKEB C#CCOc1c(Cl)cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 409087448 COQPWVKXWNFOIP-NKZWWHGNSA-N 440.996 6.195 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c(C)n1-c1ccccc1C(=O)O 409202366 SBSFHSZBSSHEBV-NGZUUMTHSA-N 431.517 5.026 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1Cl 409210808 LNLZKPGZOKOXRV-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccccc1F 409218175 SXDKMHOYTKXDAB-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB COc1cccc(C/N=C2/NCCCCCCOc3ccccc3Oc3ncccc32)c1 643568983 YBVIKEVMMJAWBV-UHFFFAOYSA-N 431.536 5.372 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC)c(Cl)c1 1531291604 URQZAIMBQOAKSW-LITAXMHPSA-N 448.748 5.217 30 40 IKEB Cc1c(/N=C/c2nn(-c3ccccc3)cc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 675873 CGVSUPFFPUQZOJ-MTDXEUNCSA-N 433.515 5.088 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 709478 UEXIRONLZCSIGY-DEOSSOPVSA-N 430.504 5.267 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@@H]2c1ccc(Cl)cc1Cl 723971 RPEXZPCNTZUVJG-HXUWFJFHSA-N 439.346 5.910 30 40 IKEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3cccc(Cl)c3)o2)ccc1O 1062921 IGOWXUOUCGYSAW-JFLMPSFJSA-N 443.890 6.380 30 40 IKEB C=CCNC(=S)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 2206170 RPVAOZZIWBGLPM-UHFFFAOYSA-N 425.601 6.171 30 40 IKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 2208277 ZHNXOZGJWAKTPQ-UHFFFAOYSA-N 439.393 5.154 30 40 IKEB C=CCn1c(SCc2nnc(SCc3ccc(F)cc3)o2)nnc1-c1ccccc1 2578050 AYGQQWZMKJKUKF-UHFFFAOYSA-N 439.541 5.238 30 40 IKEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 2902413 OLJRMDRLLOHXIE-CJLVFECKSA-N 443.524 5.419 30 40 IKEB Cc1ccc(-c2oc(NC(=O)[C@H](C)Oc3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1 3307074 IWECEVKYRJSXQW-FQEVSTJZSA-N 436.511 6.508 30 40 IKEB O=[N+]([O-])C(/C=N/c1ccc(C2CCCCC2)cc1)=C/Nc1ccc(C2CCCCC2)cc1 4793469 LEOQHCSULHBRTG-PEUXSCJASA-N 431.580 7.715 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 8397018 KPSOFTOEQSZFRM-PGGKNCGUSA-N 444.196 6.626 30 40 IKEB C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(Cl)cc3)c2c1=O 8439760 FTNHMICXXGEOIF-UHFFFAOYSA-N 446.022 6.022 30 40 IKEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8821006 NNPQBCPUXTYTRM-VCHYOVAHSA-N 433.291 6.284 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCCCOc3ccccc3Cl)c2)cc1 8874978 GASUOOKYOUCKER-LFVJCYFKSA-N 425.872 5.542 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl 9380471 BFKTYGRUIHVHPY-DEOSSOPVSA-N 445.946 6.555 30 40 IKEB Oc1cccc(/C=N/n2c(-c3cc4ccccc4o3)cs/c2=N\Cc2ccccc2)c1 12604010 FTUSVXBWKRQWLB-QKFKWCFOSA-N 425.513 5.652 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\[C@H](C)c1ccccc1 28615381 HVWLYJFUIWKEQN-JHPSBJSYSA-N 437.634 6.280 30 40 IKEB Cc1cc(C)nc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1 32699567 LHVVHRBYYAILAV-UHFFFAOYSA-N 440.528 5.623 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1 33758088 LXYGOPINGREZOW-UXHLAJHPSA-N 446.554 5.970 30 40 IKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)ccc1Br 59302385 XRADOILYLANOQF-BHGWPJFGSA-N 445.744 6.267 30 40 IKEB CCCCCCCCn1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)c(C)nc21 97952416 IHBYIUAHUVFXNS-IBGZPJMESA-N 447.583 5.142 30 40 IKEB CCCCCCCCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC 100306681 GYRSANLAUWEXOF-HSZRJFAPSA-N 448.625 8.056 30 40 IKEB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1/N=C/C1C(=O)CC(C)(C)CC1=O 100772859 NCBREVIICSXUBZ-BHGWPJFGSA-N 431.941 5.522 30 40 IKEB Cc1ccc(C2=CCC(C)(C)c3cc(C(/C=C/c4ccc(C(=O)O)cc4)=N/O)ccc32)cc1 137630466 AUKGBKLQWDXBEP-FSLFYVJCSA-N 437.539 6.698 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S/C1=N/c1ccccc1 223525066 LLXXGDVZYMUMOG-LPJLAFHTSA-N 449.620 5.659 30 40 IKEB C#CCOc1c(Cl)cc(/C=N/c2sc3c(c2C(=O)OCC)CCCC3)cc1OCC 408811189 MHKVDFWTBIRJTH-AFUMVMLFSA-N 445.968 5.618 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC 408937304 ISFLKLJBVLNBIC-JEAXXKEWSA-N 438.571 6.979 30 40 IKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(F)cc1 409110677 XSHCKXQFAYXGTJ-UHFFFAOYSA-N 435.539 6.543 30 40 IKEB Cc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1Cl 409201458 NEISKBLSVYQFTP-ZRGSRPPYSA-N 434.801 7.118 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)CCC[C@@H]43)C2)cc1 2049238295 DJKUHJBPRWSFHW-BGOMAKILSA-N 430.654 6.502 30 40 IKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 2756890 ZZTDCIIRPGOJRR-NUPZDWQCSA-N 438.270 7.126 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 8741058 WJEPMNBLTRWJAB-NRFANRHFSA-N 444.512 5.543 30 40 IKEB COc1ccc(C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 8915586 KRMZCWQIFNPRJZ-CPNJWEJPSA-N 445.471 5.286 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)S2)cc1 8984879 DOBMHMOFJDFBJO-HMAPJEAMSA-N 444.512 5.164 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 9462285 HNCZVNSWRRRRSL-UHNOWLQGSA-N 444.398 5.473 30 40 IKEB COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)c1 12250951 ZOTCRRYIQODVFB-UHFFFAOYSA-N 439.924 5.022 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 17094641 BFTNCODIEGWAOI-CJAUYULYSA-N 425.919 6.105 30 40 IKEB N#Cc1c(NC(=O)COc2ccccc2-c2nc3ccccc3s2)sc2c1CCC2 32958147 MSGYCECSIVSXTQ-UHFFFAOYSA-N 431.542 5.403 30 40 IKEB COC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccc(F)cc4)NC3=O)o2)c1C 59105993 ZXEFWOSGAUOWFX-UDWIEESQSA-N 436.464 5.072 30 40 IKEB CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1ccc(Cl)c(C)c1Cl 100691489 NBYJNFIYEYZULS-XMMPIXPASA-N 444.531 8.358 30 40 IKEB COc1cccc(/C=N\c2cccc(NC(=O)c3ccccc3Br)c2)c1O 100925036 GYLHPQPEGLITIQ-QRVIBDJDSA-N 425.282 5.166 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 118913497 LJQHVTRFOZQNII-WISZKZHUSA-N 444.537 6.592 30 40 IKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@H](O)C[C@@H]1O 253387391 ZGLHBRQAEXKACO-WRCFSYAVSA-N 428.657 5.727 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1Cl 408702508 GBNHWALRBFEAIC-ZVQQDINOSA-N 439.939 5.133 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2c(OCC)ccc3ccccc23)C1=O 408995277 BHLXIAAQRURIHX-JWGURIENSA-N 445.540 5.782 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)S1 409250775 SCXVZUFJGXDGBA-CIAFOILYSA-N 439.943 6.087 30 40 IKEB O=C(NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl 2260623 AZWJIZXTGQYDCH-UHFFFAOYSA-N 449.153 5.795 30 40 IKEB C=CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1cccc(Br)c1 2342503 RLQXUASKEYVZPV-UHFFFAOYSA-N 431.315 5.094 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 3084972 XOWPEXWAHILTOA-UVHMKAGCSA-N 433.294 7.411 30 40 IKEB C=CCn1c(SCc2cnc(-c3ccccc3)s2)nnc1[C@@H]1COc2ccccc2O1 3415011 GGYXKZAFQSCDDZ-FQEVSTJZSA-N 448.573 5.392 30 40 IKEB C[C@@H](Sc1cc(/C=C/c2ccc(Cl)cc2)c(C#N)c2nc3ccccc3n12)C(=O)O 3418728 RXRSUOZBWZZOHT-VIIAAUOXSA-N 433.920 5.748 30 40 IKEB COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC(F)F 12822914 BCHMJODMNGGSOZ-UHFFFAOYSA-N 426.444 5.572 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O 16688200 BBYDXUAAYKMIGB-BRJLIKDPSA-N 428.838 5.050 30 40 IKEB C=CCN(C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12)c1nc2c(s1)CCCC2 22239288 HYFBEXATCIVFTG-UHFFFAOYSA-N 448.523 5.505 30 40 IKEB Cc1c(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 34888167 YJSFJYWCIIBBIS-ILEYUIQDSA-N 447.560 6.011 30 40 IKEB COc1cc(Cl)cc(/C=N/c2cc(Br)c(O)c(Br)c2)c1O 38182140 ISQSHFCTCVUUSI-NGYBGAFCSA-N 435.499 5.035 30 40 IKEB Cc1ccc(/N=C2\S/C(=N\N=C\c3ccccc3O)N\C2=N\c2ccc(C)cc2)cc1 97944554 QUQPMXIGAFXLML-GSGFKCGZSA-N 427.533 5.496 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@@H]3c3ccco3)sc2c1 102805148 HGMBSJAACADSDG-NHFXJNLRSA-N 430.485 5.078 30 40 IKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 102948783 KDFILFKHIZHORG-XMMPIXPASA-N 427.548 5.698 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cnn(C)c5C)C(=O)[C@]4(C)CC[C@H]32)C1 253536149 JMQZWPIAQPSGBR-SATMYULISA-N 436.596 5.185 30 40 IKEB CCOc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)s2)cc1 408722087 DFSCLWNFKMPXHK-WPWMEQJKSA-N 444.556 6.644 30 40 IKEB CC(C)COc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl 409031315 AOKNMEZMORTGGW-ZRJGMHBZSA-N 429.163 5.742 30 40 IKEB COc1cc2c(cc1/C=C1\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C1=O)OCO2 409082483 SRGBPGHRVGCKRX-CIHNJMORSA-N 444.940 5.337 30 40 IKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)cc1 409083877 URVJIJSVLIZTMK-IEKUSTQFSA-N 430.617 7.210 30 40 IKEB COc1ccc(/N=C/c2ccc(Sc3n[nH]c(-c4ccccc4)n3)c([N+](=O)[O-])c2)cc1 409195477 VIFJLOAICRUZTJ-OEAKJJBVSA-N 431.477 5.290 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C 409212291 PNWTUUWQVHZTOW-UFFVCSGVSA-N 441.550 5.936 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 409217271 OLWFOHQZZJHWSJ-BRJLIKDPSA-N 429.303 6.848 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(F)c2)cc1C(C)C 409277241 AKAKMSMLCILQQI-UHFFFAOYSA-N 443.522 5.915 30 40 IKEB C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 409363708 VRGWVBTUVYNBOG-UHFFFAOYSA-N 438.622 5.245 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2264647 NVEVZQSYCHHYFG-UHFFFAOYSA-N 435.959 5.510 30 40 IKEB CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 2771724 INMBJBTYRUWKEK-VJGNERBWSA-N 445.522 5.370 30 40 IKEB COc1ccc(NC(=O)c2ccc(N/N=C(\C)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 9332412 MJRYJKTYOLZRAM-AFUMVMLFSA-N 438.871 5.345 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 9423154 FOPXAJBARZWKLR-OPEKNORGSA-N 447.893 6.649 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(OC)cc4)ccc3C2=O)c2ccccc21 9423429 JQHZPJIMRMCLBJ-AFUMVMLFSA-N 439.467 5.505 30 40 IKEB CCO[P@@](=O)(C#CC(C)(C)C)[C@@H](NCc1ccccc1)c1ccc(Br)cc1 16688011 PUUDWNUNBVTUBV-ZBLYBZFDSA-N 448.341 6.559 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 38536872 LFLBGIVGVULLMZ-CENQWQLUSA-N 428.513 5.277 30 40 IKEB C/C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1c[nH]c2ccccc12 59417925 GWAPHAUMYKZWST-VTNSRFBWSA-N 434.507 5.676 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cc(Cl)ccc3Cl)c(C)c2s1 72228626 CZHPWYZMAGTELT-GATIEOLUSA-N 435.380 6.670 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3)c(C)c2s1 72228821 RAQAAGUTQYEYAV-MXAYSNPKSA-N 430.961 5.782 30 40 IKEB COc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3)N(/N=C/c3ccccc3)C2=O)cc1 103677642 NSYKGOPTNMOUEH-FOPLWASLSA-N 440.528 5.036 30 40 IKEB Cc1ccccc1NC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 409062913 CUAJZIVVNWDSFQ-JFLMPSFJSA-N 429.545 5.575 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409200679 JQZWNWMLNMCEEH-FSJBWODESA-N 441.827 6.016 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409227622 QXNQLWDDQOHZLL-OEAKJJBVSA-N 445.494 5.859 30 40 IKEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)c(Cl)c1 409286937 RKVRXUVBHMCRQP-UHFFFAOYSA-N 439.140 5.471 30 40 IKEB Cc1ccc(-n2c(C)cc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)c2C)cc1 409306852 SAJYBBHHVHACGV-UHFFFAOYSA-N 438.575 6.042 30 40 IKEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Br 947380 MAHBDAMBCSTTSA-FZKGZDJFSA-N 431.355 5.168 30 40 IKEB C=CCN(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2c(s1)CCCC2 3448061 POZJZYBHNLWYBC-UHFFFAOYSA-N 441.560 5.102 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccc(O)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 4108989 XNSRHWITDVOZAE-ZMPCKTLKSA-N 437.590 5.699 30 40 IKEB CC1=NN(/C(=N/c2nnc(C)s2)N2CCc3ccccc3C2)[C@H](c2ccc(C)cc2)S1 8448145 MRYZLGGBZOLKEJ-ZGBROZEESA-N 448.621 5.282 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 8811400 VDWWIPIZDBDCML-AFUMVMLFSA-N 439.899 5.350 30 40 IKEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2 9086611 OWJNNMGFSZEVIL-ZFJSRUIDSA-N 444.039 5.826 30 40 IKEB Cc1ccc(N/C(S)=C(/C(=O)c2ccc(OC(F)F)cc2)[n+]2ccccc2)cc1C 9403307 ZGUSXERVFODVHM-UHFFFAOYSA-O 427.496 5.243 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1C 13122085 WUFDHUTXBVGMFP-QHCPKHFHSA-N 446.478 5.101 30 40 IKEB CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 13362170 GGQIDQJAIYDGEX-BOCLCLQSSA-N 427.585 5.436 30 40 IKEB biogenic C(=N/Nc1ccc2ccccc2n1)\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 16035730 KDBIWDAQOAZFGK-OGLMXYFKSA-N 447.498 5.305 30 40 IKEB C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 20806333 MDIWFEWMDKODDJ-QPLCGJKRSA-N 427.577 5.620 30 40 IKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccc(C(=O)OCC)cc1 26570046 GUHHKQDFXNHGSZ-UHFFFAOYSA-O 434.368 6.116 30 40 IKEB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 58989386 NQWXNQWTBURGDJ-FQEVSTJZSA-N 438.936 5.041 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2C)cc1 100028940 PIGOEJFQUHQHTO-UHFFFAOYSA-N 426.601 6.715 30 40 IKEB Cc1cccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 100306359 NBDMVMSMZLRAIY-XJBRANNNSA-N 437.568 6.323 30 40 IKEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C#N 225767414 PFPUXTNAKVQBSW-UHFFFAOYSA-N 431.319 5.631 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408903542 ZLLUJKYBSLWINF-SFQUDFHCSA-N 432.364 5.420 30 40 IKEB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2cccc(Br)c2)cc1 409109904 NSCFHQBJEOTORO-XKZIYDEJSA-N 427.323 6.568 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409209312 FNZNVJLIUHJBSU-DHRITJCHSA-N 429.303 6.794 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409213022 TWSGAEZGQOJJEV-RPPGKUMJSA-N 444.314 6.338 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 409215796 AYKZBCQXKNBMPG-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 409218013 SBMJXWQFGYXSFB-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CC[C@H](C)Oc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cccc1OC 409405727 VATFIZQQWKPUHP-SFHVURJKSA-N 427.504 5.132 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 504472489 RSYAEGYTIQGKTB-XKDFTWOISA-N 428.701 8.248 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccs1)c1ccc(F)cc1 1413462 DEQPEHJGLWNOEA-QFIPXVFZSA-N 446.503 5.190 30 40 IKEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 2177686 CHZLDNRUXDPLCO-ONEGZZNKSA-N 428.159 6.840 30 40 IKEB O=C(/C=C/Nc1ccc(Cc2ccc(N/C=C/C(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 3182465 PTKAMJUYYYQHLO-WGDLNXRISA-N 442.359 5.391 30 40 IKEB aggregator C=CCSc1nc(Sc2cccc(OC)c2)c2sc3nc(C)cc(C)c3c2n1 8888483 SSFBPRSPGRMCCZ-UHFFFAOYSA-N 425.604 6.294 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Br)s1 8915863 VFLMLKZQKXIGEF-JOCHJYFZSA-N 438.390 6.864 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c(OC)c1OC 8917878 BKSNWGNCCZWSPH-QRVIBDJDSA-N 432.472 5.216 30 40 IKEB biogenic CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 20650893 UGOZTJDWKQPOEB-ITYLOYPMSA-N 427.544 6.297 30 40 IKEB CCN1/C(=C2/S/C(=N\c3ccccc3C)N(C3CCCCC3)C2=O)Sc2ccccc21 100200945 WYXLHZWQWIZYQB-SLJQUXCSSA-N 449.645 6.692 30 40 IKEB CC(=O)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102801311 MCFRKMOPESMPQG-HOGKFDNTSA-N 431.875 5.169 30 40 IKEB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc3c(c2)oc2ccccc23)C[C@H](C)O1 103763288 RWZXQKINCTWOLT-MDFKOOKKSA-N 429.476 5.858 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(OC)cc1 104348834 GIQHPIBOAJAWQN-QYQHSDTDSA-N 433.706 6.975 30 40 IKEB CCN1c2ccc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)cc2[C@@H](C)CC1(C)C 223534098 UUVUEENZQRBIKO-PVFDWLMNSA-N 433.621 6.307 30 40 IKEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 225767388 DFAOFVJNJBTCRX-UHFFFAOYSA-N 431.319 5.631 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)c1 408596484 ZPJBMPZTJVVQAK-ZVBGSRNCSA-N 436.207 5.621 30 40 IKEB Cc1cc(/C=N/C2=C[C@@H]3C(=O)c4ccccc4C(=O)[C@@H]3C=C2)c(C)n1-c1ccc(N(C)C)cc1 408740702 LUTAOULZXCBFKV-PFSUJMEBSA-N 449.554 5.344 30 40 IKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1OCc1ccc(F)cc1 408848904 WWMNDWLECWVIJK-MSXFZWOLSA-N 438.415 5.284 30 40 IKEB FC(F)(F)c1ccc(N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408934673 MEARAZOXMBGASH-PPDIBHTLSA-N 439.264 7.037 30 40 IKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409020896 VJBNHHMWHNBWPL-JZCUADNKSA-N 440.952 7.327 30 40 IKEB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O 409062419 UPGTYIWRXUJTID-NDENLUEZSA-N 426.925 5.627 30 40 IKEB CCCN1C(=O)[C@@H](Cc2ccc(OCC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 409141053 LKPYHENYNDHNDZ-GJQPQMNHSA-N 442.581 5.077 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(OCC)c1OCC 409169807 RPSKPNZGGAANJP-HYARGMPZSA-N 448.544 5.321 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccccc3C)cc2Cl)cc1 409199623 CDIRFTZQCDHBDU-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409211649 NMUZCKVHGRAWIS-AFUMVMLFSA-N 443.952 5.792 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409382383 LHNJEPMNWXGOLD-BRJLIKDPSA-N 441.846 5.464 30 40 IKEB Cc1cccc(COc2ccc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)cc2)c1 409403153 KUHGKGNMFHIPJK-UHFFFAOYSA-N 445.522 5.833 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)o1 1531385758 XPBLJLWSCLTUAE-LQKURTRISA-N 449.466 5.212 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)cc1 956627 WKGZBWAIZFAMMS-UUYOSTAYSA-N 437.289 5.653 30 40 IKEB biogenic COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 1409138 JQTIPGOKXZTPEI-WXTAPIANSA-N 430.935 6.328 30 40 IKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(-c5cccc(Cl)c5)o4)cc3)sc2c1 2067482 BWVWUVLRNZZABV-JFLMPSFJSA-N 428.944 7.936 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1CC 2081729 FSAUDCMJXZUFGS-NMRWETQTSA-N 430.548 6.759 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2ccc3ccccc3c2)cc1 8750671 RTHQDDICJBIVJN-UHFFFAOYSA-N 438.552 5.813 30 40 IKEB C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 9310026 SDKUGTDDYYBFSW-AZGAKELHSA-N 446.934 6.156 30 40 IKEB C=CCn1c(SCC(=O)NC[C@H](CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 10240197 MZLNVSXRVNLUKL-KRWDZBQOSA-N 441.000 5.187 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)ccc3o2)cc1 14920406 LCFJZEAPFSCLOK-CCVNUDIWSA-N 447.321 8.121 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)S/C(=N/c2ccccc2)N1Cc1ccco1 15012801 SGHLRBWIKNDLHE-CGINZGNNSA-N 429.545 5.684 30 40 IKEB C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1[C@@H](C)Oc1ccccc1 32604152 OMDVLVGHDPWCSW-LJQANCHMSA-N 436.581 5.138 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 33586190 ZMYVRDCEXAIISX-ZDLGFXPLSA-N 433.291 6.284 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1F 59194429 SPWFUDRLHHVJCE-AFUMVMLFSA-N 435.480 5.499 30 40 IKEB CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71784708 WVXXEBLHRGPWQV-DCLFOLCFSA-N 446.635 6.498 30 40 IKEB C[C@@H](Oc1c(F)cccc1[C@@H]1CNCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 96327346 VLHPKQVBURRWJG-DIFFPNOSSA-N 437.355 5.664 30 40 IKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCSCCOC(C)=O 104137714 IUZMMIWMHAGIMN-ZHACJKMWSA-N 428.679 6.863 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 257345224 BKFIBDWKIPCPQA-YKKSXOLTSA-N 441.597 5.755 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1C 408975304 MAMIOQLAOFGTJY-MFKUBSTISA-N 428.517 6.448 30 40 IKEB CCOc1cc(Cl)c(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC 409229112 JYAADLPPUKVHNY-SRWYGHAPSA-N 446.956 5.380 30 40 IKEB CCc1c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2)nc2c1C(=O)CC(C)(C)C2 630262 HDHYRWMNZXYKEI-UHFFFAOYSA-N 427.957 5.055 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C 671286 JBQFBMJBQHRNIX-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1456567 NFVGQWMKSVJSOC-GAJHUEQPSA-N 437.561 5.015 30 40 IKEB O=C1[C@H](Cc2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 2671065 PENRTCCVDAAWQS-NWIBBQCFSA-N 427.356 6.372 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)ccc1Cl 3115309 HBMSGJFLISIJPS-YSURURNPSA-N 446.677 7.114 30 40 IKEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1cccc(Br)c1 8821155 XDVQKYZJCLHCDN-ZROIWOOFSA-N 438.144 5.103 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)Nc1nccs1 8843596 ZRWKZNNATQDFBK-UHFFFAOYSA-N 434.468 5.216 30 40 IKEB Cn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 8990765 PDIMBRULMIXPCZ-YSURURNPSA-N 433.866 6.166 30 40 IKEB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2ccc(C#N)cc2)cs1 10807388 OCYUWJOOBVNNIR-UHFFFAOYSA-N 445.422 5.075 30 40 IKEB CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(Cl)c3Cl)cc2)CC1 15978821 ROBKVCMWURPRLC-JXMROGBWSA-N 438.376 5.310 30 40 IKEB O=C(Nc1sc(N/N=C/C=C/c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 16751468 TYDQMROCRGEKDP-MPCPQKGKSA-N 442.519 6.313 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3OC)N(c3ccccc3OC)C2=O)cc1 16769993 XOMWYVHPOKFGDA-JTUXUYRKSA-N 446.528 5.521 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 18254827 ZMYVRDCEXAIISX-VCHYOVAHSA-N 433.291 6.284 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 18254904 GQUOAFODXSIJIZ-WOJGMQOQSA-N 443.297 5.740 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1cn(CC)c3ccccc13)C2=O 28182836 WEINRUDCSGIPGT-ONUIUJJFSA-N 446.591 6.385 30 40 IKEB COc1ccc(OC)c(-c2csc(NN=C(Cc3ccccc3)Cc3ccccc3)n2)c1 45068177 UDDVDDOQEKNVET-UHFFFAOYSA-N 443.572 6.081 30 40 IKEB CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1 97951295 ZVXXFMFDGXVLQZ-AREMUKBSSA-N 441.656 7.452 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 97953097 ANAACCSZEJMXKT-UHFFFAOYSA-N 433.531 5.054 30 40 IKEB C[C@H](Sc1nc2ccc(/N=C/c3ccccc3O)cc2s1)C(=O)Nc1nccs1 100097279 PYYJNXVXPRIIDF-JHAVZTMOSA-N 440.575 5.328 30 40 IKEB O=C1N[C@@](c2ccccc2)(C(F)(F)F)S/C(=N\c2ccccc2)N1c1ccccc1 100499064 BKVSGKFSOGKEMG-MLQDUXEUSA-N 427.451 6.052 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 253501192 MHAVMNJPXLZEIG-MXXXFCNWSA-N 438.696 7.412 30 40 IKEB biogenic,in-vitro CCCCCCCCCCCOC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408723095 ZHYSZJUKZLMRMQ-UHFFFAOYSA-N 430.592 7.498 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccccc1 408859936 VVEMSJFVKIMMJX-DOEDGMEWSA-N 426.585 7.023 30 40 IKEB CC(C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Br 408965837 MKXAONPEIWVPJI-LICLKQGHSA-N 435.318 5.267 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccncc2)cc1C(C)C 409292762 VENFAEGFUIJCOB-UHFFFAOYSA-N 426.520 5.171 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C(C)C)OC3 1245849 ZHSQQFRKGJRADX-SFHVURJKSA-N 426.607 5.272 30 40 IKEB O=C1C=C(Nc2ccc(Cl)cc2Cl)C(=O)C=C1Nc1ccc(Cl)cc1Cl 1687455 KXTRZDFLHFGYLV-UHFFFAOYSA-N 428.102 5.744 30 40 IKEB O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCc3ccc(F)cc3)ccc21 2405871 NSIHDZCGMYLYDX-NHDPSOOVSA-N 425.253 5.783 30 40 IKEB COc1ccc(OC(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1 5889698 RTUXBVLRCHGASV-LKNRODPVSA-N 425.484 5.246 30 40 IKEB CCCCCCCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N 8399205 RYFSXBLYAGLZFY-UHFFFAOYSA-N 430.617 7.748 30 40 IKEB COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1 12652139 OBVSHULDLPEWHN-MHZLTWQESA-N 444.962 6.529 30 40 IKEB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12756341 QSKZIXYXWMDEDN-UHFFFAOYSA-N 447.310 5.224 30 40 IKEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1ccc(C)c(C)c1 13940684 KBQANRFRCMGRBN-YZSQISJMSA-N 449.507 5.514 30 40 IKEB CCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCC)cc3)cc2)cc1 17886109 JGPJVRJLTHAEQE-VFIVCBTMSA-N 428.576 7.546 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O 33567539 YZJWRDYLXXFCKY-JOCHJYFZSA-N 444.487 5.039 30 40 IKEB O=C(C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 100035591 BJKOPLOZQDQIOT-GDNZHBKUSA-N 440.568 5.975 30 40 IKEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Br)cc2)/C1=C(\O)c1ccccc1 100439826 SRZSCRJSEZOMRE-YDJIHCHBSA-N 434.289 5.075 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NC1=NN(c2ccccc2)C(=O)C1 100989601 JKXNJXLQJIKGMD-UHFFFAOYSA-N 441.660 7.115 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 118916153 ANTLLZHQDMIOLB-KPKCUVLXSA-N 447.446 6.959 30 40 IKEB biogenic C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC 408940326 NUUAYLBDFIVHFW-JCZPZKDPSA-N 434.539 6.284 30 40 IKEB CC(C)(C)c1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(C(C)(C)C)c1O 408959955 BBPAJMVZCWXJKP-CPNJWEJPSA-N 426.557 6.018 30 40 IKEB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N\Nc1c(Cl)cc(Cl)cc1Cl 408992308 RPBBVAQRUNOVPQ-AFPJDJCSSA-N 438.702 5.804 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc(I)c3)c2C#N)C1 409078663 HUFZSVQTRMLXSC-CHOFVFFHSA-N 448.373 6.126 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc1 409107234 RGCJCCDVLFMOCI-YPXUMCKCSA-N 440.252 6.432 30 40 IKEB CC(C)c1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccc(Cl)cc1 409126038 AOIYUPUWOXGGAE-UHFFFAOYSA-N 445.906 5.275 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2cc(Cl)ccc2C)cc1 409201374 MHEVOQXWNGUHEB-JVWAILMASA-N 449.959 6.628 30 40 IKEB Cc1cccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C 409217977 RVWYATYXGLJYQK-ZMOGYAJESA-N 439.309 6.304 30 40 IKEB O=C(c1ccccc1OC(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242709 DPKWYFHFPOBMNC-UHFFFAOYSA-N 440.155 5.574 30 40 IKEB COc1ccc(Cl)cc1/C=N\n1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 1531180524 LHJCAYDVVULBKV-KSEXSDGBSA-N 448.748 5.001 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1Cl 1025858 MRAWDBYNPUTKHY-JOCHJYFZSA-N 447.874 5.160 30 40 IKEB COc1cccc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O 1806353 SKQZYKUMJZFEOV-MZJWZYIUSA-N 428.875 6.766 30 40 IKEB N#C/C(=N\Nc1cc(Cl)c(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 4292789 HAANUXIUWHUHIR-MFKUBSTISA-N 442.158 6.763 30 40 IKEB COc1cccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)c1 6282966 JLYBIWMRLQKUMJ-JLHYYAGUSA-N 426.428 5.008 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 8919080 HKJLZQPFRGSVSO-NRFANRHFSA-N 444.487 5.527 30 40 IKEB CCOc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 9243115 NXOUPXDCLRTMHD-NOTUDOMSSA-N 443.474 5.407 30 40 IKEB CCOc1ccc(CCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OCC 12759166 DUFDRRFYXQCPCC-UHFFFAOYSA-N 446.572 5.479 30 40 IKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 13682591 FGHKMABUYXVRHB-MOSHPQCFSA-N 430.342 5.393 30 40 IKEB Clc1ccccc1C(=N/c1ccccc1)/C(=N\c1ccccc1)c1ccccc1Cl 16978990 FUDRBLXBROYOOS-IDDWGTJGSA-N 429.350 7.935 30 40 IKEB C=CCc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1OC 20110901 ZTFPEVZNTNPGRP-UHFFFAOYSA-N 442.559 6.226 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S 26607863 AVGUGIDJMORGQR-UNOMPAQXSA-N 445.993 5.623 30 40 IKEB Cc1ccc(/N=C2\SCCCN2C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1Cl 102505463 JGQAOZIPUQAQIF-BAIXOJAUSA-N 437.436 6.179 30 40 IKEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1C 102734620 IJKRRXXQVUBBKI-AYWGPLOBSA-N 446.503 5.050 30 40 IKEB Clc1ccccc1/C=N/c1ccc2c(c1)Cc1cccc(/N=C/c3ccccc3Cl)c1-2 104391475 IFDIJGNHMUAIRO-RVSCTIAXSA-N 441.361 8.066 30 40 IKEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN1CCCCCC1 229831699 NRXSHTMQYCWAJB-CJLVWDJLSA-N 441.656 6.540 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1 408910208 JPFABNCSZKXZRK-XKZIYDEJSA-N 426.270 5.382 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N2C)cc1 408910252 JDJCEVDCVLIFGO-PIINERKHSA-N 437.568 6.232 30 40 IKEB Cc1ccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2Cl)cc1 408935624 DGDQGJBJTWUOBN-FMCGGJTJSA-N 440.843 5.490 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409042710 OICSKRQUHOLTSJ-BHGWPJFGSA-N 435.694 6.885 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409134158 NKTQSYGWKTWNJA-OEAKJJBVSA-N 432.545 5.754 30 40 IKEB Cc1sc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)c(C#N)c1C 409199622 IGCAVPMFRXVTEK-BUVRLJJBSA-N 449.579 6.863 30 40 IKEB Cc1cccc(COc2ccccc2/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 409217226 TYRCUQGMTZTADI-ABGRQMIASA-N 442.628 7.409 30 40 IKEB Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1 409233529 GCYXZVALQBZNOE-OEAKJJBVSA-N 448.975 6.427 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)c1cccc2ccccc12 3191504 UOQSRKAABFAWBW-ZTKZIYFRSA-N 436.511 5.646 30 40 IKEB O=C(c1cc(Br)ccc1OCc1ccccc1)[C@H]1O[C@H]1c1cc2ccccc2o1 3219115 QHMHFCVYDZWXGM-BJKOFHAPSA-N 449.300 6.097 30 40 IKEB biogenic CCOc1cc(N(CC)CC)ccc1/C=C1\S/C(=N/c2ccc(OC)cc2)N(C)C1=O 8450463 CHLBOIBYKICALE-HLTANSAUSA-N 439.581 5.174 30 40 IKEB CCc1ccc(/N=C(\C)c2c(C(F)(F)F)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 9034193 TVNMDBKZYKYGOE-BRJLIKDPSA-N 430.455 5.497 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCc3ccccc3)n2)cc1OC 9423268 ICWIDLVQPCPJGA-UHFFFAOYSA-N 444.478 5.991 30 40 IKEB C[C@H]1CSC(N(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)c2ccc(Cl)cc2)=N1 10021776 HJXRDGQFLUOQQG-CRVDFBCUSA-N 448.979 5.746 30 40 IKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/C1=NN(c2cccc(C(F)(F)F)c2)CC1 12491646 MJCMWOYPYANNBT-LGJNPRDNSA-N 431.849 5.496 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 13571217 WDYAIVDJJLWZEM-HXUWFJFHSA-N 446.553 5.703 30 40 IKEB CCCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OC 16035620 JZQUDYXBJCQZOK-QHCPKHFHSA-N 438.593 5.330 30 40 IKEB Cc1ccc(C)c2c1[C@@](O)(C#Cc1ccccc1)c1ccccc1[C@@]2(O)C#Cc1ccccc1 17104981 LIJDDZSESNXDAV-MEKGRNQZSA-N 440.542 5.192 30 40 IKEB COc1ccc([C@]2(N3CCOCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 19720501 CVQOIDCXJPQFCP-GDLZYMKVSA-N 437.539 5.098 30 40 IKEB COc1ccccc1CN/N=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 20761501 HKJMCKMZQBTOHS-OGLMXYFKSA-N 426.516 5.560 30 40 IKEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)cc1 27024035 AEANKSPMVRBIJY-OAQYLSRUSA-N 447.512 5.016 30 40 IKEB CC1(C)[C@@H]2CC[C@]1(C)[C@H](/N=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2/N=C/c1ccc([N+](=O)[O-])cc1 100364908 AXCIBLMNRMNTNI-IOZFBRTFSA-N 434.496 5.234 30 40 IKEB N#Cc1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)oc(-c2ccccc2)c1-c1ccccc1 100935128 ALXRAJNZXSEGFK-MZJWZYIUSA-N 437.411 5.873 30 40 IKEB C=CCOc1c(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cccc1OC 408526334 AWCOUWYKTXKGNB-WQRHYEAKSA-N 447.965 5.328 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)c1C 409065530 JCWQCPOMYSYQDT-RPPGKUMJSA-N 430.430 6.084 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl 409201917 PCOZOUZEQHAVAL-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB CC1CCN(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3cccnc3)CCCC4)o2)CC1 409274476 DLRWAFUDRCAAJC-JVWAILMASA-N 448.592 5.854 30 40 IKEB N#CCOc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409339991 OBZMFGXCFOJVHD-NDEPHWFRSA-N 445.522 5.955 30 40 IKEB COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O 524730586 OFKGYDCNJYZQLI-ZWAQGKOVSA-N 441.483 5.622 30 40 IKEB biogenic C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 2060990565 FELCJAPFJOPHSD-YAXQRZQHSA-N 440.712 7.204 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 1819503 UPVBFCSWUQIMLY-ATVHPVEESA-N 432.364 5.420 30 40 IKEB N#Cc1ccccc1-c1ccccc1C(=O)O/N=C1\C(=O)c2ccccc2-c2ccccc21 2335801 JVRBOXDBWSYVGC-BXVZCJGGSA-N 428.447 5.650 30 40 IKEB Cc1ccc(N/N=C(/C(=O)c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 4292665 WXGBAPBWMSPXKT-RFBIWTDZSA-N 428.513 5.230 30 40 IKEB CCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 6162450 IPURPGRSMNANST-RUZDIDTESA-N 430.548 5.390 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 9234756 VKFFDQKYTSFJKJ-FQEVSTJZSA-N 430.485 5.289 30 40 IKEB COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(C)=O 9264312 GHIOUXPTYCHIBO-QUGAMOGWSA-N 428.488 5.209 30 40 IKEB Cc1ccc(-c2csc3ncnc(SCC(=O)N(CCC#N)Cc4ccco4)c23)cc1 9778901 RMMXQFXNMJWIPZ-UHFFFAOYSA-N 448.573 5.294 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 13567787 MWPGWANUYOSROP-IBGZPJMESA-N 449.547 5.185 30 40 IKEB CCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 16609906 AYOGVCOFOQNCML-UVHMKAGCSA-N 445.321 6.811 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 17096130 KDADCVNRZKYSJN-HXUWFJFHSA-N 428.601 6.541 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18199729 VLYFPWGBPONZCI-HOYKHHGWSA-N 438.556 5.595 30 40 IKEB COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c(OC)c1 27229324 QEQRJXQJVVELOU-FRKPEAEDSA-N 442.846 5.268 30 40 IKEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(C(F)(F)F)c2)C(=O)C1 100023893 TVQRBQCRQCJQFS-IBGZPJMESA-N 436.470 5.565 30 40 IKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccccc2C(F)(F)F)=C(O)C1 101624564 SJHRUOFFLPUEPT-UHFFFAOYSA-N 436.470 6.191 30 40 IKEB CCCCCCCCCCCCOP(OCC)OCCCCCCCCCCCC 104162201 DONPOKHKJGMVBM-UHFFFAOYSA-N 446.697 10.125 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccccc1Cl 408702506 GBNHWALRBFEAIC-YAOQVBECSA-N 439.939 5.133 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl 408781919 CZGJJYPWQXJXHJ-SARUNTBLSA-N 433.360 5.167 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(OCC)c1O 408906060 GYQVDDAMQJOVJC-JUMVDPBBSA-N 436.577 5.760 30 40 IKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3c(C)cc(C)cc3C)N(C)C2=O)cc1 408954689 UNZQWWKPISPJPW-JXJWTFEASA-N 431.561 5.645 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 408960072 IZVCTDKEDCPXNC-YJMOJNCUSA-N 435.593 5.236 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c(C)c1 409068724 UXLXULHDMZBUOF-OPEKNORGSA-N 447.369 5.415 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)c(C)c1 409172729 HJMNQMZSIPRAFR-ZMOGYAJESA-N 441.556 5.819 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2cccc(Cl)c2)ccc1Sc1n[nH]c(-c2ccccc2)n1 409193383 JQVXHJWBAHENIV-YDZHTSKRSA-N 435.896 5.935 30 40 IKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409314522 RRKWLLGIFZENHN-IWIPYMOSSA-N 445.540 5.741 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)CC(=O)C[C@H]43)C2)cc1 2049238341 IFADLLNZMJESQF-ULKVZDSDSA-N 444.637 5.681 30 40 IKEB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1ccccc1Cl 3660029 KHRNUMWVUWLTGF-UHFFFAOYSA-N 429.719 5.890 30 40 IKEB CC1(C)CC(/N=C2\C=CC3=N[C@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 4763016 VSDVPTFEBFDIBD-BDUZFZNUSA-N 432.656 6.065 30 40 IKEB C=CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(CCC=C(C)C)C[C@@H]1C)Nc1ccccc1-2 8452650 VFNQPQLDBNDLTA-VAXXYWNWSA-N 448.636 6.666 30 40 IKEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc(Cl)cc1Cl 8821143 BWLRQBLVNIUWAW-AUWJEWJLSA-N 428.138 5.648 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCC)cc2)cc1 9215968 TXIIIWIVKKBGTQ-BDYUSTAISA-N 426.516 5.892 30 40 IKEB COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1OC 12250965 LYIOWYZZMGUBIU-UHFFFAOYSA-N 439.924 5.022 30 40 IKEB COc1ccc(OC)c(-c2cs/c(=N\C3CCCCC3)n2/N=C/c2ccc(C#N)cc2)c1 12566833 IOHJFCRXWIJIJB-DGTJGKBUSA-N 446.576 5.221 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)cc1O 13286336 IELOJIVTFDAMDC-BEIQUOEZSA-N 425.579 5.475 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)c2C)cc1C 15018562 NRIDPLRUNPLEBB-UVHMKAGCSA-N 430.577 5.243 30 40 IKEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O 20646651 BNCBZIGIGYJUDJ-ZMOGYAJESA-N 434.536 5.224 30 40 IKEB CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 36611431 FWZNZNGVRZHARY-LSFURLLWSA-N 430.839 5.117 30 40 IKEB CCCCCCCCCCC/C(=N\OC(=O)Nc1cccc2ccccc12)c1ccccc1 100936729 GPXMRNKQLFVUES-TVKQRKNISA-N 444.619 8.714 30 40 IKEB O=C1[C@H](c2ccccc2)S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N1C1CCCCC1 100975236 NGCSNBPUCYRYPK-KFGJJWJMSA-N 448.997 5.034 30 40 IKEB CCCCCCCCCCCCCCCCCc1sc(=[N+]2CCCCC2)sc1C 101463524 UFCFRWUPKHIUHM-UHFFFAOYSA-N 438.811 8.488 30 40 IKEB O=[N+]([O-])c1cccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 110472099 BYZLPCKILBLVOK-UHFFFAOYSA-N 431.502 5.679 30 40 IKEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223424885 VETLLUGMUCQCAN-SANMLTNESA-N 446.978 5.345 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)cc2)cc1 223562702 MASJTXOCJYLRBU-DDBXXPGKSA-N 442.603 7.739 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)n1C 408560213 DWVIDTXCLUTPCU-UHFFFAOYSA-N 443.642 5.491 30 40 IKEB CCn1c(N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)nc2ccccc21 408692698 SIXCUNOYNNQRHT-JFLMPSFJSA-N 427.939 6.159 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)c2c1 408789492 LNCJGNVSCRCSQI-HAHDFKILSA-N 432.545 5.837 30 40 IKEB C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC 408897027 MDGITTIAFNAFLN-UHFFFAOYSA-N 427.928 5.005 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1c(C)cccc1C 408910801 LCJMBSHGTCMLOD-MDIFQPDJSA-N 447.516 6.096 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)S2)cc1 408994216 YDVYVIXOFYQHEZ-UYRXBGFRSA-N 448.529 5.341 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O 409143406 BYHKTSOWBBSGHD-KQWNVCNZSA-N 430.529 5.088 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 409200486 HOZUZLHNHSIWOV-JVWAILMASA-N 430.345 7.240 30 40 IKEB Cc1cccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1C 409200640 ISWPBDQSAZBLOT-LQKURTRISA-N 444.372 7.549 30 40 IKEB CCOc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409216881 PJOVUZAKIXJWRD-VULFUBBASA-N 430.382 6.555 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc2cc(Cl)ccc2o1 409345345 LGPCBQGCNBLMKE-UHFFFAOYSA-N 438.940 5.570 30 40 IKEB C=C(C)CSc1nnc2c3c4c(sc3nc(-c3ccccc3Cl)n12)CCCC4 2218433 BPQMDWAIKAXFSB-UHFFFAOYSA-N 426.998 6.206 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1 2296712 GUZYPJMBECRBKG-QHCPKHFHSA-N 425.569 5.423 30 40 IKEB COc1cc(/C=N/n2c(Cc3cccc4ccccc34)n[nH]c2=S)ccc1OC(F)F 2632058 UQJMLCKCYIPACP-DHRITJCHSA-N 440.475 5.177 30 40 IKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)c(C)c1Cl 3084985 NXAMLJUECDAUNT-CCVNUDIWSA-N 426.903 7.374 30 40 IKEB CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 3255108 ITNARQCETQLHME-UHFFFAOYSA-N 447.528 5.808 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@H]2c1ccc(Br)cc1 4199854 IMDVVBCBLQUCTH-FQEVSTJZSA-N 449.352 5.366 30 40 IKEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)cc1 4793477 DLZUCPMONZJFMT-FQEVSTJZSA-N 447.535 5.074 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3cccc(I)c3)c2C)c1 6194042 FMFVVFBZIDXXLZ-YDZHTSKRSA-N 428.317 6.066 30 40 IKEB Cc1cccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1 8396050 LECXDHANEYQVFW-MKRFAJQFSA-N 428.513 5.841 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H]4CCCc5c4[nH]c4ccc(C)cc54)[C@H]3C[C@@H]12 8918159 LJQXLSPSQISBRZ-UJTZIEAQSA-N 432.608 5.758 30 40 IKEB biogenic S=c1[nH]nc(-c2ccccc2Br)n1/N=C/c1cccc(Cl)c1Cl 9087441 WHNOAKIAMSAWLJ-UFWORHAWSA-N 428.142 5.559 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1 9301907 JSDYBNDVMQTLCO-NRFANRHFSA-N 444.487 5.527 30 40 IKEB CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9363616 YWRNAGSEERWSRA-QFIPXVFZSA-N 449.934 6.009 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 9422319 MOTQDPBRQOQDMG-DHRITJCHSA-N 429.903 6.510 30 40 IKEB CSc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 12364931 LHQXQIFPZWYZJA-ZRBLBEILSA-N 427.573 5.551 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C)c(Cl)c1 13286477 IRZMPEFICQNLLK-QUOYTPRUSA-N 445.997 5.651 30 40 IKEB O=C(NC(=O)c1c(F)cccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 16383681 KHGIDRCIXMGVTA-UHFFFAOYSA-N 428.691 5.479 30 40 IKEB O=C(Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1)c1ccc(Cl)cc1Cl 16384141 KZIADDGUWPHNDB-FOKLQQMPSA-N 430.247 5.610 30 40 IKEB CC1(C)[C@@H](O[C@@H](C#N)c2cnc3ccccc3c2)[C@@H]1C=C(Br)Br 16577190 LAVBPVFCUCRKLJ-QRTARXTBSA-N 436.147 5.472 30 40 IKEB Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2nc3ccccc3s2)cc1 41074069 AWZPLUGTBZOFKC-AFUMVMLFSA-N 429.936 6.248 30 40 IKEB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCC2 57650249 LUNMSXRJKLYKLY-UHFFFAOYSA-N 429.954 5.358 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1Cl 59417093 GDGYJVGDIYATGK-WYMPLXKRSA-N 425.275 5.535 30 40 IKEB CCCCCCCn1c(N)c(S(=O)(=O)c2cccc(C)c2)c2nc3ccccc3nc21 97954494 BRUNWPBJVIOXGO-UHFFFAOYSA-N 436.581 5.278 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 102866508 SBBXHXHFEBWASW-YDJIHCHBSA-N 430.460 5.062 30 40 IKEB O=C(c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)N1CCCS/C1=N\c1ccccc1 103033636 GFJZBLJSRJQKNH-VHXPQNKSSA-N 449.557 6.013 30 40 IKEB CCCCCCCCCCC/C=N\NC(=S)N/N=C\CCCCCCCCCCC 104376609 XVFOADJKVANFGQ-QXKKBDLUSA-N 438.770 8.264 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C2=O)s1 107796708 ZLBKWVKIKPLISO-STZOPLDQSA-N 435.574 5.406 30 40 IKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(I)cc1 408782187 IKSCDCGUDNREPX-ZVHZXABRSA-N 442.344 6.573 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 409005639 FXSGAFHQJZITIW-JAIQZWGSSA-N 442.371 6.293 30 40 IKEB COc1ccc(/C=N/c2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)cc1OC 409048344 SPYZYVHZABLHFP-LSHDLFTRSA-N 445.338 5.253 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 409199271 BDMWLWCGLVNIQC-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409215165 XSUJZQPVRVFZEV-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409216812 LTQLVAOXGOCPMK-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(C)c2C)cc1C(C)C 409286984 XRJHUSJKASLMLE-UHFFFAOYSA-N 442.563 5.341 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781284 VNTBBYYGWZQXCW-GAJHUEQPSA-N 437.561 5.015 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 1080234 LPASXEOEVJVMQJ-XHCCPWGMSA-N 446.506 5.922 30 40 IKEB CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)nc1C 1480037 NYBXNMGBHFAUHO-FQEVSTJZSA-N 446.528 5.054 30 40 IKEB CCCCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 2063478 DIROGGFVUDXQJR-NDEPHWFRSA-N 425.572 7.328 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C 2626898 YHYYMHRKBFOQGQ-UHFFFAOYSA-N 446.551 5.653 30 40 IKEB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 2636556 AKQIIKBCSRRDKF-UHFFFAOYSA-N 426.497 5.539 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 4065628 LNVYGCRQHNZVOG-SSOJOUAXSA-N 435.354 6.973 30 40 IKEB O=C(/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(F)(F)F)c1ccccc1 8742120 IPUVTSRHBBZPAT-CJLVFECKSA-N 446.428 5.937 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)cc1C 8820788 FKGFLQGVQTVBIJ-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 9243279 XKQKLJWHSKBKCX-HSZRJFAPSA-N 446.503 5.335 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(Cl)cc1 9308281 KEZARKHTRSGKPO-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB CC[C@@H](C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)cc1 9403329 NNHYNTCEYZJPDG-QGZVFWFLSA-O 438.016 6.500 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 9546523 LDLXGEDURBQYLF-NPMXOYFQSA-N 431.948 6.167 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccoc1C 9669855 XOZAJZLWFVQNEG-UHFFFAOYSA-N 436.537 5.067 30 40 IKEB O=C(Nc1cccc(C(F)(F)F)c1)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21 12338660 HBGORJIVUCTXSL-DIBXZPPDSA-N 425.366 5.337 30 40 IKEB N#Cc1c(/C=C/c2cccc(Cl)c2)cc(-c2ccc(Cl)cc2)n2c1nc1ccccc12 12566410 FSWMXHBUCZOOAA-CMDGGOBGSA-N 440.333 7.503 30 40 IKEB C/C(=N\n1c(-c2cccc(Cl)c2)cs/c1=N\C(C)C)c1ccc(-n2ccnc2)cc1 12624826 ITWFAPDOMCBEKM-ZUALRNRESA-N 435.984 5.637 30 40 IKEB Clc1cccc(CO/N=C2/CCCc3c2cc(-c2ccccc2)n3-c2ccccc2)c1 12960563 VPHKHSLXZZPMAW-GNVQSUKOSA-N 426.947 7.055 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc(C)c1 14082158 BEBCSZBOWHOYAQ-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 16807383 VAEOSPLUXZLREG-MRXNPFEDSA-N 429.973 5.124 30 40 IKEB O=C1/C(=N/c2cccc(Cl)c2)C[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 17301182 OYOJRJRPTJFBDY-NBHLSZMOSA-N 429.734 6.898 30 40 IKEB CCCOc1c(Br)cc(/C=N\Nc2ccc(Cl)c(Cl)c2)cc1OCC 32705942 ZSEYVRAGUUANBX-JJFYIABZSA-N 446.172 6.389 30 40 IKEB Cc1c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)oc2c1ccc1ccccc12 49574102 HUZVKOFPDNLRPL-HSZRJFAPSA-N 427.479 5.056 30 40 IKEB Cc1cccc(OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1C 68573679 PBULMHAPFJXELA-JTQLQIEISA-N 434.201 5.244 30 40 IKEB biogenic CC(=O)/C(=N/Nc1ccccc1)Sc1nnc(CCc2ccccc2)n1-c1ccccc1 100935562 RTXDBIBQHCWTIW-COOPMVRXSA-N 441.560 5.159 30 40 IKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)cc1Cl 101650369 FDHXRBRTKSXVSE-KGWRKDBXSA-N 440.327 5.031 30 40 IKEB Cc1c(/N=C2\S/C(=C\c3ccc(-c4ccccc4)cc3)C(=O)N2C)cccc1C(=O)O 408931792 QJEHFHLMYSWEFR-GZAOZUBMSA-N 428.513 5.594 30 40 IKEB CCCCCCCCNC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408977862 KGTBKLZGZFWMBO-UHFFFAOYSA-N 446.624 6.267 30 40 IKEB COc1ccccc1Oc1ccc(N/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 409108797 VZCMVNZPXCXTJO-BUHFOSPRSA-N 435.476 5.322 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 409215733 DUMVECXLSRVPHR-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1cccc(Cl)c1 409216047 HNPPFHAWAZXKPU-JFLMPSFJSA-N 428.359 7.284 30 40 IKEB O=C(COc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1Cl)Nc1ccccc1F 409376086 UEIPNQJYWIOXQL-KBKYJPHKSA-N 435.257 6.040 30 40 IKEB CC[C@@H](C)n1c(C)c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409404270 OZKXNCCWPDPTDL-LJQANCHMSA-N 434.543 6.180 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@@H](C)O[C@@H]1c1cc(C(=O)O)ccc1OCCCC 585263995 WNDPMJWDANZPBO-DUHPJZPXSA-N 442.983 7.043 30 40 IKEB CCCCc1n[nH]c(=S)n1/N=C/c1ccc(OCc2c(F)cccc2Cl)c(OC)c1 1915878 VBRUEOPAWCRCPT-WYMPLXKRSA-N 448.951 5.546 30 40 IKEB N#Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCCCC2 2088491 LJZHNGISTSLZJE-UHFFFAOYSA-N 435.401 7.053 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1C 2241812 BCPFYWAXVMHJBG-UHFFFAOYSA-N 432.471 5.189 30 40 IKEB Cc1ccccc1-n1c(NC(=O)c2ccc(Cl)cc2)c(C#N)c2nc3ccccc3nc21 2279560 GPQTUYSSCOSDOL-UHFFFAOYSA-N 437.890 5.660 30 40 IKEB O=[N+]([O-])c1ccc(CO/N=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 3028553 KBJHQTUHWPVYBN-WSDLNYQXSA-N 443.868 5.858 30 40 IKEB Cc1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c(C)c3)nc2c1 3042755 CVCUIHNUPFYYPM-FOKLQQMPSA-N 432.392 5.384 30 40 IKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@@H]2c1ccco1 6498692 COFDEJPZEYLXTK-WGDIFIGCSA-N 428.488 5.112 30 40 IKEB COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)OC(C)(C)C)n2)cc1 8451076 VNARSHZZCVIMAT-UHFFFAOYSA-N 438.574 5.791 30 40 IKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 9041812 JSFKICSOFRAUDZ-IBGZPJMESA-N 432.526 5.449 30 40 IKEB C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)C)nnc1-c1ccc(Cl)cc1 10240468 ZOPJZPDPQFOOER-IBGZPJMESA-N 447.029 5.452 30 40 IKEB COc1cc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc(OC)c1OC 10435159 PCIGBRMWJUUTNV-FPEJUQHSSA-N 448.544 5.611 30 40 IKEB O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 12960340 XDPRGOJTXJCCBP-MXAYSNPKSA-N 429.303 6.317 30 40 IKEB C=CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Br)cc1 13845432 UQZOROCQIJQHBC-UHFFFAOYSA-N 446.370 5.107 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)cc3)nc2c1 17096464 HGFJBZOXMMGFNC-IXORVSQSSA-N 429.476 6.681 30 40 IKEB CC(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 18195454 OEXREUAVLDQMGN-JOCHJYFZSA-N 427.548 5.902 30 40 IKEB COc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1OC 20196359 OJHPUNQJJDAWFE-LGJNPRDNSA-N 445.346 5.713 30 40 IKEB COc1ccccc1CN/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 20763055 JTWQLJANEUAERG-LGJNPRDNSA-N 445.346 5.713 30 40 IKEB COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 57589886 LHVPKWLJSJYRAH-VWLOTQADSA-N 427.504 5.515 30 40 IKEB CCCCCCCCOc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 97980696 WWKIKNAEGWPEJA-MFKUBSTISA-N 427.803 7.832 30 40 IKEB CC1(C)CC(O)=C/C(=N\c2ccc(C34C[C@@H]5C[C@@H](CC(Br)(C5)C3)C4)cc2)C1 100098702 CVDCNTZSJSSRKK-APNWDRHGSA-N 428.414 7.006 30 40 IKEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102486485 UJMDAPKVKFTMSA-JBCNATCCSA-N 448.544 5.093 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118936501 MQYXUWHLBZFQQO-FEVKIXOPSA-N 426.729 8.025 30 40 IKEB COc1cc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)ccc1OCc1ccccc1 254772125 SOBZMVGVFNGCRI-UHFFFAOYSA-N 443.591 5.043 30 40 IKEB COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408543635 RQJOSLAPLQPBED-RDRPBHBLSA-N 446.522 5.790 30 40 IKEB C#CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 408909135 GDIMIXGTAWYDCW-PKAZHMFMSA-N 444.556 5.650 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408934467 AXZLGUIZJPHXLA-YTEYGYDXSA-N 445.360 6.732 30 40 IKEB CCCCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409037164 SHNUZGPNSCKCMH-RAWMCFOBSA-N 426.401 6.446 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409046361 KGLFRLVMICSFNK-BHGWPJFGSA-N 435.694 6.885 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccc(Cl)cc1Cl 409081256 GSEJILLGCMGZRU-NVMNQCDNSA-N 432.303 5.626 30 40 IKEB CCn1cccc1C=Nn1c(-c2cc(C(C)C)c(OC)cc2C)nc2ccccc2c1=O 409278822 GCALKCUCLPYQHG-UHFFFAOYSA-N 428.536 5.208 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(F)cc2)cc1C(C)C 409294255 ATLVQKHEFNUXGV-UHFFFAOYSA-N 443.522 5.915 30 40 IKEB Cc1cccc(COc2ccc3ccccc3c2C=Nn2c(O)nc3ccccc3c2=O)c1 409361580 TZEWRHDGPTVIOB-UHFFFAOYSA-N 435.483 5.025 30 40 IKEB N#CCn1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 409379903 BISMDSGRDIENSB-YOIRLTMBSA-N 438.512 5.562 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409387580 ROIKQPZMLFSBHT-JVWAILMASA-N 430.504 5.248 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1)N1CCCCC1 672172 UVGNBCNZANJVBV-LGUFXXKBSA-N 434.561 5.191 30 40 IKEB N#Cc1c(NC(=O)c2ccccc2Cl)n(C2CCCCC2)c2nc3ccccc3nc12 2286740 GHKWOQGIXGNYCA-UHFFFAOYSA-N 429.911 5.867 30 40 IKEB COc1ccc(NC(=O)O/N=C(\c2ccccc2)c2ncc(C(F)(F)F)cc2Cl)cc1 3134945 VLSXBBAKRHSVIM-MTDXEUNCSA-N 449.816 5.764 30 40 IKEB CCOC(=O)/C(=N/CCNc1ccc2ccccc2c1)NNc1cc(Cl)ccc1Cl 3190414 ZAADZAGVNDHVHO-UHFFFAOYSA-N 445.350 5.137 30 40 IKEB CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCCO4)cc1 4794505 NLVJCYLQMXCHRM-VWLOTQADSA-N 432.564 5.505 30 40 IKEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c2[C@@H]1c1ccco1 9253353 IIRCAJHZFIRMFP-QGZVFWFLSA-N 441.274 5.078 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1nc(C(F)(F)F)nc1N2 9329707 CKVDPHQYKOMKDF-SPLOXXLWSA-N 449.436 5.194 30 40 IKEB O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 15011804 JSBIVTUUISRGHS-ZTYBVADTSA-N 445.456 5.132 30 40 IKEB COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 18323787 PCKKWYMEJUDDQQ-DEOSSOPVSA-N 446.547 5.272 30 40 IKEB COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1OC 20572606 KJCBMTPITIADGL-SONUWKRMSA-N 432.564 5.741 30 40 IKEB COc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)c1 32984414 SOPIDXSAMDZJFX-UHFFFAOYSA-N 437.492 5.101 30 40 IKEB COc1c2c(cc3c1[C@H](CC(/C=C/[C@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 36368126 SVSPODGIYWQUSW-HGDJVORJSA-N 426.557 5.112 30 40 IKEB biogenic CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 97954563 NXUGIRBPTKMSGT-UHFFFAOYSA-N 441.535 5.263 30 40 IKEB Cc1ccc(/C=N/N=C(\O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1 97965604 HIBQGRBCJKJKBL-ASFRMHBNSA-N 442.228 5.184 30 40 IKEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Br)cc2)C(=O)C1 100006855 NAVBTWPITMDHNM-LJQANCHMSA-N 447.369 5.308 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2Br)cc1 101439331 CMXLQZVYZIWOSG-HYARGMPZSA-N 429.339 5.309 30 40 IKEB CCCCCCCCCCC(=O)N([C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1C[C@H](C)CC(C)(C)C1 104359685 DQHFFAOTHZXUGF-FATVKVNYSA-N 433.765 8.775 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S1 408752904 LPPRJWJCAYJJBG-KGENOOAVSA-N 431.473 5.587 30 40 IKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409122260 ZTVLZCFNNLKYIY-UHFFFAOYSA-N 446.547 6.530 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1Cl 409203021 UHBAICNUSFTEIX-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3cccc(Cl)c3C)cc2)cc1Cl 409212973 SQRINYXFEQUHHD-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(I)cc2)cc1OC 409380967 QFSZKFQXECVIMW-UORWWSPDSA-N 443.712 5.881 30 40 IKEB C[C@@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccccc1 6177441 SIJURMDYNFEJMW-LJQANCHMSA-N 435.552 6.407 30 40 IKEB CCCCCCCCN1C(=O)/C(=C/Nc2cc(Cl)ccc2O)C(=O)N(CCCC)C1=O 8431349 NXBCRAFZZWCCCI-FBMGVBCBSA-N 449.979 5.293 30 40 IKEB C[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)NC1(C#N)CCCCC1 8898417 UCJUQURNBJFVOV-AWEZNQCLSA-N 442.635 5.690 30 40 IKEB N#Cc1c(SCC(=O)Nc2ccc(F)c(F)c2F)nc2c(c1-c1ccco1)CCCC2 9402859 RIGQKJOCLOPQHC-UHFFFAOYSA-N 443.450 5.240 30 40 IKEB CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 9846344 YUFNSEOZIIYAFI-NWIBBQCFSA-N 445.972 5.027 30 40 IKEB O=[N+]([O-])c1cc(Br)ccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118811 KLYIXEKAAFABGD-SSDVNMTOSA-N 434.677 5.394 30 40 IKEB Cc1ccc(S(=O)(=O)/N=C(\Nc2ccc(Br)cc2)c2ccccc2)cc1 12378369 XHEMTJHLXFQYJQ-UHFFFAOYSA-N 429.339 5.005 30 40 IKEB CC(C)(C)c1ccccc1N/C(=N/S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 12603702 FPQLLCUBDVCPCI-UHFFFAOYSA-N 428.504 5.510 30 40 IKEB C=CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)ccc1OC 15107239 YGEZDVLQHUTZIV-INIZCTEOSA-N 435.501 5.161 30 40 IKEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C2CCCCC2)cc1 17099452 LMOSHJHFJUSRRG-PXLXIMEGSA-N 435.387 5.199 30 40 IKEB CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 19817880 UTQVSJHJECLOEL-UHFFFAOYSA-N 449.635 6.619 30 40 IKEB Cc1nnc(N/N=C/c2ccc(C(C)(C)C)cc2)nc1N/N=C/c1ccc(C(C)(C)C)cc1 27988848 OJNFOSKTWZLIJH-ODBZBXGJSA-N 443.599 5.667 30 40 IKEB Cc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c(C(=O)Nc3ccc(F)cc3)cnn21 44859180 ZKVQVYKECULKID-QHCPKHFHSA-N 444.510 5.241 30 40 IKEB COc1cccc(/C=N/C[C@@]2(O)CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O 118918853 PFLCXOYUUHWAGR-QPERRTFZSA-N 439.640 5.984 30 40 IKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)c1 408721112 KPUHXHPMWSHBBE-ZVBGSRNCSA-N 445.660 5.669 30 40 IKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2c1 408772945 ODJALQPUHZFMMJ-QRVIBDJDSA-N 431.408 5.106 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C 408978867 NYGIUUGZXXOOEP-AHHHDHMGSA-N 430.548 6.868 30 40 IKEB COC(=O)c1ccc(C)c(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c1 409099446 NNCLNAKFAIHDQP-OPEKNORGSA-N 447.369 5.415 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)o2)c(Br)c1 409238410 ZPLLXLQQOQDUGX-WGOQTCKBSA-N 431.333 7.512 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(C)s2)cc1C(C)C 409307263 SCWMZJSJZPFHRU-UHFFFAOYSA-N 431.561 5.756 30 40 IKEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccc(Cl)cc1 409312526 MANVIRTVEARYGI-UHFFFAOYSA-N 444.760 5.742 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1-c1ccccc1C 1531254890 MYJMLFQNHOQTOO-MFKUBSTISA-N 449.352 5.093 30 40 IKEB O=C(c1cc(F)ccc1OCc1ccccc1)[C@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2 2306128 AJJLZQJXFPNRAY-BJKOFHAPSA-N 440.854 5.247 30 40 IKEB C=C[C@@H]1Oc2ccc(Br)cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 3668708 SAUDVEBWTPDHPK-IBGZPJMESA-N 430.386 6.075 30 40 IKEB CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1OC 6089739 UYDAAXFSHMLTJY-QUGAMOGWSA-N 446.572 6.135 30 40 IKEB CC(C)(C)c1ccc(C(=O)O/N=C2\CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 8781566 IHZNGCXIKMSNGQ-DXXYHEOZSA-N 439.468 5.671 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O 8872766 FTMCZHKLHUXNNT-AFUMVMLFSA-N 435.936 6.291 30 40 IKEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C 9196527 KQLLUELTLUTEGV-BRJLIKDPSA-N 430.335 5.311 30 40 IKEB Cc1ccc(-c2cc(C(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)c3ccccc3n2)cc1 9465022 AIHYJFHSIVRGEY-HXUWFJFHSA-N 441.512 5.008 30 40 IKEB O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCc3ccccc3Cl)ccc21 11865056 FOEFCUMPJFKGQO-NHDPSOOVSA-N 441.708 6.298 30 40 IKEB N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]31N=2 13142637 OTRFRNNIWWWYJW-YIIWZEITSA-N 440.550 5.049 30 40 IKEB COc1ccc(Nc2nc(N/N=C/c3ccc(Cl)cc3Cl)nc(C)c2[N+](=O)[O-])cc1 15133402 DZWJVPQAOYUWLH-LSHDLFTRSA-N 447.282 5.198 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NC1CCCCC1 21721996 UNHZBGQFDSEKHE-VWLOTQADSA-N 435.593 5.177 30 40 IKEB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/N=c1/sc2ccccc2n1C 33412680 ZVJDBARFNAUSSW-NRESPMNFSA-N 449.889 5.341 30 40 IKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)S1 59224383 PLLGSHHGFJTFAN-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB O=C(Oc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1 408736900 CITJTCZEAKAYMR-ZVHZXABRSA-N 444.472 5.384 30 40 IKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c(Br)c1 408820834 ZHEKBBJHYBTQBB-MYKKPKGFSA-N 445.744 6.267 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 408875804 HSSWTNQIVGYAOE-VUWMNBKMSA-N 436.577 5.887 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1OC 408905618 BREFGDKIKUBUPN-KWPJTZOTSA-N 444.556 5.551 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C 409208771 BZCNLRKJNSLQCW-UFFVCSGVSA-N 441.550 5.936 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)o2)cc1C(C)C 409305076 LNRUMKAYANTELG-UHFFFAOYSA-N 444.535 5.045 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccc(OC)cc1 1531332798 UZSFSXHHHBLXGH-NGKLGRAZSA-N 440.341 5.228 30 40 IKEB Cc1ccc(COc2ccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1 2186896 BGNKGJNGCGBOOX-NJZRLIGZSA-N 443.550 7.177 30 40 IKEB N#CC(Cc1ccccc1Cl)(Cc1ccccc1Cl)C(=O)NCCc1ccccc1 3324716 QIWWYWYEIHTJLR-UHFFFAOYSA-N 437.370 5.647 30 40 IKEB Oc1ccccc1/C=N/c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 3669046 BNKCJKLWEPYFTA-BHGWPJFGSA-N 445.396 7.352 30 40 IKEB COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 4471304 XAJZRDVQUQZTAJ-HZHRSRAPSA-N 430.529 5.474 30 40 IKEB N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc2c(c1-c1ccccc1)CCCC2 8406223 SVBDALWOTJEFJY-UHFFFAOYSA-N 425.384 7.098 30 40 IKEB Cc1cc(Br)ccc1/N=C1/NC(=O)/C(=C\c2c(C)n(C)c3ccccc23)S1 8454168 DBVAMRSOMAHRCU-YBFXNURJSA-N 440.366 5.449 30 40 IKEB N#Cc1c(SCc2cc3c(cc2Cl)OCO3)nc(-c2cccs2)c2c1CCCC2 8986368 ONRCGBYYULMFDF-UHFFFAOYSA-N 440.977 6.235 30 40 IKEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NCc2c(Cl)cccc2Cl)o1 9196404 PYEQPDVZPJKJJU-BRJLIKDPSA-N 425.319 5.871 30 40 IKEB COc1cccc(OCCCOc2cccc(/C=N/Nc3nc4ccccc4s3)c2)c1 9434883 KSIONBJPBMFFLC-KOEQRZSOSA-N 433.533 5.599 30 40 IKEB COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 12951715 UKGQURNMPWDUHZ-RYTXTXLDSA-N 435.907 5.802 30 40 IKEB CC(C)c1ccc2nc(SCC(=O)Nc3ccccc3Br)c(C#N)cc2c1 13503477 QGARWLAMXMJMIL-UHFFFAOYSA-N 440.366 5.723 30 40 IKEB COc1cccc([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1OC 13567897 DNOKZYVOVQIVTJ-KRWDZBQOSA-N 445.437 5.250 30 40 IKEB CCCC(=O)Oc1ccc(-c2c(C#N)c(N)nc(SCc3ccccc3)c2C#N)cc1 15240091 OESPVOXHRUBHLA-UHFFFAOYSA-N 428.517 5.072 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N/c1ccc(OCC)cc1 15685073 PIWVVAJPRBWCKN-OCEACIFDSA-N 445.544 5.879 30 40 IKEB N#Cc1ccc(C(=O)/C=C/c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 16158877 LACWFJCSBMWSTK-FNORWQNLSA-N 435.323 6.752 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c1O 16545493 YUJVJSDICNTHRA-LSHDLFTRSA-N 425.853 5.687 30 40 IKEB C#CCOc1c(Cl)cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1OCC 33445658 DGXQRHXAXFHRHC-UHFFFAOYSA-N 442.968 5.375 30 40 IKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 33957370 VGYMEBWQLDCBIR-IXIYCRNMSA-N 438.518 6.325 30 40 IKEB COc1cc(/C=C2/SC(O)=N/C2=N\c2ccccc2)ccc1OCc1c(C)noc1C 95480742 HHQASCKLUFUAOE-CIAFOILYSA-N 435.505 5.611 30 40 IKEB CCCCCCCCCCCCCCCCn1c(=N)n(CC(=O)OCC)c2ccccc21 102465847 JHFUICPMGVSGIF-UHFFFAOYSA-N 443.676 6.967 30 40 IKEB CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@H](O)CC2)c(C(=O)O)s1 299846664 WPMJNLCLKAKMLA-VVPTUSLJSA-N 445.625 5.307 30 40 IKEB investigational C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(OCC#N)cc2)C1=O 408809177 QXCVSJPRFOQMCM-GXEQYHJJSA-N 432.569 5.643 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\S[C](Nc2ccc(Cl)cc2C)NC1=O 408819762 RSRJHQNELLBHQW-UHFFFAOYSA-N 433.940 5.577 30 40 IKEB CC(C)N1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1ccccc1 408906076 HDAYXEBMCHMOGY-UINIZAEWSA-N 428.557 6.278 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3c4ccccc4cc4ccccc34)C(=O)N2C(C)C)cc1 408908512 AEEPMWYSPQGHIF-GIEPNVOJSA-N 436.580 7.314 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 409083088 UQBKMZKWOSCYJC-ODLFYWEKSA-N 442.273 6.056 30 40 IKEB C=CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)SC1=S 409332422 QOPBWFSUIYDOKD-LPYMAVHISA-N 429.570 5.257 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 1243898 OMXRYZCXEOMXIB-GOSISDBHSA-N 426.607 5.521 30 40 IKEB CCc1ccc(/N=C2/C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)cc1 1444631 NVVNULYIJWROEX-SJCQXOIGSA-N 437.587 5.629 30 40 IKEB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(Cl)c2)C2=C1CC(C)(C)CC2=O 2602896 QJDNUOIYPWEDQA-UHFFFAOYSA-N 441.999 6.141 30 40 IKEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccsc1 3171633 ISXHHSLHOQHZBA-ZRBLBEILSA-N 441.943 5.686 30 40 IKEB COc1ccc(-n2c(SCCC#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl 3495874 YVHUOMWYDXZCGH-UHFFFAOYSA-N 435.336 5.264 30 40 IKEB CCN1CC[C@](O)(/C=C/c2ccc(C(C)C)cc2)[C@H](C(=O)/C=C/c2ccc(C(C)C)cc2)C1 5845837 WZLWYHADODLHEK-VOQUVXPZSA-N 445.647 6.302 30 40 IKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1 8432757 NPPZODLAYACBGU-AFUMVMLFSA-N 448.548 5.217 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)NCCCn2ccc3ccccc32)cc1 8703931 IYROZXKCEMUZOX-UHFFFAOYSA-N 425.557 5.625 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Cl)c2)cc1 8836249 SKDSIEVORVZBEE-LJQANCHMSA-N 438.936 5.505 30 40 IKEB CC[C@H](Sc1nc2ccccc2n1C(C)=O)C(=O)Nc1sc2c(c1C#N)CCCC2 9971558 NXLFEMSJJVDVJP-SFHVURJKSA-N 438.578 5.018 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCC[C@@H](c4ccc(C)cc4)c4ccco4)[C@H]3C[C@@H]12 12864022 NWVOLYRDQMXQQP-IZWMIMBNSA-N 447.619 6.014 30 40 IKEB biogenic COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 12951725 UKGQURNMPWDUHZ-OERFTBBMSA-N 435.907 5.802 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c(OC)c1 13567900 XXFZMRZNFAMHGK-GOSISDBHSA-N 445.437 5.250 30 40 IKEB N#C[C@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1 15981205 VYDHBACIMLOFSS-SANMLTNESA-N 429.350 7.159 30 40 IKEB O=C(O)[C@H](CSC(c1ccccc1)c1ccccc1)/N=C/c1c(O)ccc2ccccc12 16931483 VYRZOJFIXYKXLK-QQNPRBCQSA-N 441.552 5.940 30 40 IKEB Cc1cc2cc(-c3ccccc3)n(C)c2cc1N/C(=C\C(=O)c1ccccc1)c1ccccc1 35325073 TUVCEDLZQUEPOC-HFTWOUSFSA-N 442.562 7.490 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccc(F)cc1 59418048 IUMNXYYKDVGRNB-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)c1c(nn(-c3ccccc3)c1O)N2 100421508 FQNBGXGKYSKSJR-GBXCKJPGSA-N 433.511 5.536 30 40 IKEB Cc1c(CCC(C)C)/c(=N\c2ccc(Cl)c(Cl)c2)n2c([nH]c3ccccc32)c1C#N 102594404 VWRCZRMYQCRSLQ-WEMUOSSPSA-N 437.374 6.729 30 40 IKEB N#C[C@H]1C[C@]2(c3ccccc3)C(=O)[C@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 104127322 TWDUEZCBTVNBEI-HPENDQLSSA-N 437.542 6.600 30 40 IKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cc(C(F)F)n2)s1 252480016 BRQQZQGYTSCQGG-ODCIPOBUSA-N 427.249 5.490 30 40 IKEB CCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)N(CC)C2=C1C(=O)CCC2 408535205 YJZPVSPEWOMASC-UHFFFAOYSA-N 427.972 5.952 30 40 IKEB COc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 408801160 RUJHQZPNDZICIE-QFEZKATASA-N 431.001 6.102 30 40 IKEB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1cccc(Cl)c1 408889225 AWOLWXXISVRLCM-WYMPLXKRSA-N 426.860 5.067 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)c(OC)c2)C2=C1CC(C)(C)CC2=O 408918058 FPHNIDQLNHLXBI-UHFFFAOYSA-N 437.580 5.409 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O 409167986 KNRWRKDJUONQGM-OEAKJJBVSA-N 426.497 5.374 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1C(C)C 409217559 DFOGZUXPMGSJOB-HFYOLELGSA-N 433.917 5.597 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3ccc(-c4ccc(C)cc4Br)o3)cc2)cc1 409250574 RCDMZTFQPKHDFH-JVWAILMASA-N 446.344 7.869 30 40 IKEB CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(Cl)cc1/C2=N\[S@](=O)C(C)(C)C 2362801516 KYAISOQRPYDIMF-DCJXEWPGSA-N 439.021 5.165 30 40 IKEB CCSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2ccc(OC)c(OC)c2)c1C#N 2405358 LRPZWPBYUMDZSK-UHFFFAOYSA-N 447.560 5.619 30 40 IKEB COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1O 3140570 YXDGRDFYLGMKFA-FOKLQQMPSA-N 439.265 5.428 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccccc1)OCCCO4 5353902 VRSUVUBTXIPLIS-NRFANRHFSA-N 427.544 5.488 30 40 IKEB CSc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 8695515 QOMIDTHELRGFPC-LFVJCYFKSA-N 427.537 5.527 30 40 IKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)c(Cl)c1 8934990 BLTRMNJIPYPTKN-DNTJNYDQSA-N 427.154 6.325 30 40 IKEB C/C(=N\n1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(F)cc1F)c1ccccn1 12312230 CSBGZPWNXMBIQP-OIGFZWEESA-N 440.906 6.048 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccccc4)NC3=O)c2C)cc1 13786136 RDXBLRRUYBTFEI-JCMHNJIXSA-N 445.544 5.162 30 40 IKEB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S/C1=N\c1ccccc1 14009072 BAZHUGCCVDXIAJ-MXHYXOMCSA-N 437.952 5.381 30 40 IKEB CC1(C)Cc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C#N)C(C)(C)N1 17242858 IAWUSELXCPFPEL-UHFFFAOYSA-N 443.572 5.262 30 40 IKEB N#Cc1c(/N=C/c2ccc(Cl)c(Cl)c2)sc(-c2ccccc2)c1-c1ccccc1 18182569 ISOPHEIAMRARBG-RWPZCVJISA-N 433.363 8.011 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 19832531 VJVHKTKWGJZVPO-VPUSJEBWSA-N 431.535 6.396 30 40 IKEB CCCn1c(=O)c(C(=O)/C=C/c2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc21 69351892 LXGVUNIFUCHRLA-DTQAZKPQSA-N 427.931 6.628 30 40 IKEB C(=N/n1c(-c2ccccc2)cs/c1=N/C[C@@H]1CCCO1)\c1ccc(-c2ccccc2)cc1 103371062 IXAWCLZQZXUWLP-OJFIVNJQSA-N 439.584 5.846 30 40 IKEB CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1C=O 139376068 LZVPPNPKHOGSRF-STBIYBPSSA-N 431.498 7.069 30 40 IKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 245229352 VGYMEBWQLDCBIR-ZSMFNDMESA-N 438.518 6.325 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(/C=N/OCc3ccccc3C#N)cc2Cl)cc1 408595747 NDUIFKJXUQLUIU-MZJWZYIUSA-N 433.895 5.088 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(Sc2ccccc2)o1 408764227 WLTQTNQDPQHKLR-WJDWOHSUSA-N 447.368 6.629 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc(I)c2)c1C 408854518 HGFPQKNZLJYSDK-OYKKKHCWSA-N 442.344 6.320 30 40 IKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 408875496 JGTWPIZBJJQXBV-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccc(OC(=O)c2ccccc2)cc1 409054889 WEEHJTYZXBSDPO-WPWMEQJKSA-N 427.529 6.174 30 40 IKEB CCN(CC)c1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)cc1 409099676 RYHWEGQUXAKWMM-CCVNUDIWSA-N 429.490 5.800 30 40 IKEB O=C(Nc1cccnc1)c1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCC2 409161101 WLQSEVAALHDIBY-RPPGKUMJSA-N 427.476 5.626 30 40 IKEB CCN(CC)c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br 409219021 ZRGFOQRSOSADJC-FTIPTLOASA-N 438.435 5.384 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cc2cc(Cl)ccc2o1 409341803 BWQYRCBWZXIZNH-UHFFFAOYSA-N 438.940 5.570 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Sc2ccccc2)cc1 409403195 HCHHPWAWPGYBLQ-UHFFFAOYSA-N 433.536 6.097 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 1858601 AGJUNGRZZKQDFV-AWEZNQCLSA-N 447.897 6.925 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 2350760 KYSONHVOUNEZAM-UHFFFAOYSA-N 442.650 6.361 30 40 IKEB Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2638709 LWBLUNZCUQCBSU-UHFFFAOYSA-N 447.608 5.004 30 40 IKEB Cc1ccc(CO/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 3329646 HAOLRIXYPRMWKB-NDZAJKAJSA-N 437.539 6.704 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3sc4cccc([N+](=O)[O-])c4c3Cl)c2C#N)C1 9066824 MANPOKGAQFMFDX-VIFPVBQESA-N 431.926 5.773 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2nc(-c3ccccc3)[nH]c2c1 12376866 YKOMKCVESYTECY-FOKLQQMPSA-N 426.701 6.102 30 40 IKEB Oc1ccccc1-c1nc(N/N=C/c2c(F)c(F)c(F)c(F)c2F)c2ccccc2n1 13548695 NZJBGEBULXMVSU-OXUBWTJQSA-N 430.336 5.144 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 21658686 IEMLITWKPKFISU-OAQYLSRUSA-N 434.337 5.508 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 59459389 KZVSWPWFQDAGBP-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB Fc1ccc(CSC2=Nc3ccccc3/C2=N/Nc2cccc(C(F)(F)F)c2)cc1 100915907 XZPQHGHMCLZIJL-BRPDVVIDSA-N 429.442 6.638 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]([S+](C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118933471 QQEZWWWECVMYAM-ZLPMDMCDSA-N 431.794 8.274 30 40 IKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2C(C)=CC1(C)C 198160714 OEKKZTGDKVQHHC-VUTHCHCSSA-N 426.560 7.260 30 40 IKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2C(C)=CC1(C)C 198161193 ZDVFQWTXFFNBLY-NDZAJKAJSA-N 440.587 7.568 30 40 IKEB C=CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(Br)c1 226326107 WBGQKOLZVJFDSW-UHFFFAOYSA-N 426.104 5.133 30 40 IKEB CCCCOc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408722928 ONVSHWOBXBUVOX-MTDXEUNCSA-N 447.003 8.060 30 40 IKEB N#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 408910495 WWRWFRWXTFYCJU-ACWMPWAISA-N 425.513 5.393 30 40 IKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OC(C)C 408931457 LVEMJBWSIKKACR-BUVRLJJBSA-N 447.373 5.222 30 40 IKEB CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 408974696 GXXKHHKYAGTVHB-ZTKZIYFRSA-N 441.600 7.329 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1cccc2ccccc12 408978033 GSULPPCEMDGCCY-UHFFFAOYSA-N 435.527 5.822 30 40 IKEB Cc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)cc1Cl 409015352 ROHLABPLTWVXSC-MJBUPYINSA-N 425.916 5.812 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OC(C)C 409067067 OYWNNKJIVKCQRR-LIMNOBDPSA-N 432.240 5.105 30 40 IKEB COC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)c1C 409211756 KBFKUSGPAUOFJU-PEOCZFDFSA-N 426.538 5.131 30 40 IKEB Cc1ccc(Cl)cc1-c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)o1 409307103 RCCKFRCAEHQXCO-UHFFFAOYSA-N 445.950 6.548 30 40 IKEB CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)c1OC 1531383143 YBHYRMVCUZIOPJ-CVKSISIWSA-N 433.895 5.006 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781188 VCCPBBWFNKCBSJ-KSFYIVLOSA-N 439.602 5.657 30 40 IKEB Cc1ccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3-n3nnc4ccccc43)cc2)cc1 1865443 LGLAMHZTYZBCOP-UHFFFAOYSA-N 427.467 5.932 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 2403370 OLGBFAJCTIBPCZ-UHFFFAOYSA-N 446.551 5.351 30 40 IKEB COc1cc(C(=O)/C(=C/c2ccccc2F)c2nc3ccccc3o2)cc(OC)c1OC 8437044 DWZYPQBSDMJMFJ-ATVHPVEESA-N 433.435 5.416 30 40 IKEB C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc23)nnc1-c1ccccc1 9283065 RKXFSRBXCFERIQ-UHFFFAOYSA-N 428.561 5.430 30 40 IKEB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1C#N 9296347 JMTZDKPCHURSDM-RGVLZGJSSA-N 430.891 5.682 30 40 IKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1 10119063 YOYMTTRCFMYNDR-UVHMKAGCSA-N 449.765 6.358 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(I)cc1)Sc1ccccc1N2 14671922 WFVHRLNFESBVIK-IBGZPJMESA-N 433.314 5.557 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(F)cc1 15946589 MREGOTUAWRGDTP-YJOHERITSA-N 443.569 5.609 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C(=O)O)cc1)C1=C(CC(C)(C)CC1=O)N2 18196098 VBZCLYGRCGYIJN-QFIPXVFZSA-N 427.504 5.080 30 40 IKEB COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 20762783 KAVOCNSOTVXFPO-STBIYBPSSA-N 430.935 6.205 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1ccc(C)cc1 35153288 BNHNQJQYYIGJPI-YISMEOAQSA-N 431.355 5.008 30 40 IKEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59484264 KQYMIWGHKXTVLL-PCLIKHOPSA-N 443.532 5.897 30 40 IKEB COc1ccc(/N=C2/S/C(=C\c3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 97466931 JIPUVBHDVDMKSR-YVQDBNNVSA-N 446.956 5.323 30 40 IKEB Cc1cc(C)c(NC2=C/C(=N/S(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 100822303 XEGZIPBMXLGSNW-PLRJNAJWSA-N 436.558 5.044 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1O 102417216 RNVHHGGBHIDJRE-ZMOGYAJESA-N 431.404 5.058 30 40 IKEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102603612 XJTAWWFWKDJFSK-MOBKVPTQSA-N 433.891 5.283 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408859365 STYRAWDOTIZYCS-FAPFTBFLSA-N 434.561 5.656 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1ccccc1 408905613 BQSPAALAWNSZAU-PVTBXJRFSA-N 431.355 5.472 30 40 IKEB Cc1c(Br)ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1C 409080312 MWNFYKGSOOIPOZ-MZJWZYIUSA-N 438.409 6.990 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccc1Sc1ccccc1 409291990 RSNWRCIKFSLKSS-UHFFFAOYSA-N 439.584 6.478 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 2055329 DJCKEZFRDIUEGL-QHCPKHFHSA-N 441.568 5.128 30 40 IKEB Cc1cc(C(=O)CSc2nc3ccccc3n2CCC#N)c(C)n1Cc1cccs1 3533897 WAECGTWOOYRXNL-UHFFFAOYSA-N 434.590 5.453 30 40 IKEB aggregator N#Cc1c(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc2c1CCC2 3664820 IQISPTBTJSQPJU-RPPGKUMJSA-N 427.356 6.745 30 40 IKEB C=CCSC1=N[C@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 3671904 NYARXXACJSSEKL-HXOBKFHXSA-N 428.985 5.703 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC 3769682 ATVFAOIDIAAAQS-VCHYOVAHSA-N 449.956 5.631 30 40 IKEB COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC[C@H](C(C)(C)C)C3)c1 8448640 LFAUMQUEKOQCRD-SFHVURJKSA-N 448.657 7.134 30 40 IKEB COc1ccc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 8451618 YQOVKDKXADMPFV-FRODBLILSA-N 436.533 5.361 30 40 IKEB Cc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O 8990132 FUFLKSPVCRMLJR-MTJSOVHGSA-N 426.877 5.032 30 40 IKEB N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccc(F)cc1)CCCC2 9375586 JQLDIHIIGNBHBX-UHFFFAOYSA-N 436.939 6.267 30 40 IKEB COc1cc(OC)cc(-c2cc(/C=C/c3ccccc3)c(C#N)c3nc4ccccc4n23)c1 12566131 BFCDVIXKIYVOAA-OUKQBFOZSA-N 431.495 6.214 30 40 IKEB COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c(OC)c1 13838853 UUXGPJGDKDEHSK-DEOSSOPVSA-N 425.488 5.334 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 19643788 LYBMJVAFISFUSN-FQRUVTKNSA-N 445.559 5.256 30 40 IKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cc(Cl)cc(Br)c3O)S2)c1 27520694 KBXCPNGSWKXTCB-CHHVJCJISA-N 437.746 5.317 30 40 IKEB Cc1cccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c1 30856252 GFJYKBLHWAIHHV-ZBNITPKASA-N 428.513 5.497 30 40 IKEB CC1=C[C@@H](CNCc2ccc(C#N)cc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 30882948 QQYXGVUICJTBAN-SDHOMARFSA-N 441.579 5.190 30 40 IKEB biogenic,in-vitro CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 87493029 IWNCBADONFSAAW-GZUVQALYSA-N 428.701 7.204 30 40 IKEB in-man CCCCCCCCN(CCCCCCCC)C[C@H](O)c1cc(Cl)ccc1OC 104174119 SJKFTRYJCASSJE-DEOSSOPVSA-N 426.085 7.405 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 198151444 AJPIAZDLNSCCJO-STBIYBPSSA-N 446.978 7.523 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCC 214583765 RPSYNOSOQRLGHX-DEDYPNTBSA-N 443.952 5.848 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 408890450 UBCNAVHMAQPACB-WSDLNYQXSA-N 426.816 5.181 30 40 IKEB CCCCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408915437 YKDMNUQNUAMBHR-NMSSZPRHSA-N 441.509 5.022 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC 408937306 ISFLKLJBVLNBIC-QFNSRWMKSA-N 438.571 6.979 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 409219059 MTIMZMHOZZVZSG-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2)cc1C(C)C 409280231 JRTXQEOVKCERGQ-UHFFFAOYSA-N 425.532 5.776 30 40 IKEB CN(C)c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(OC(C)(C)C)c1 1531385113 SWHPEMDXXUYCEV-MTDXEUNCSA-N 440.547 5.189 30 40 IKEB CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 1775937470 LJUSMSPTDKGAFT-LMNHVJTASA-N 445.647 5.732 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)cc1C 3113660 UUYDDNSSVCHSOD-FOKLQQMPSA-N 432.392 5.384 30 40 IKEB CCn1c2ccccc2c2cc(/C=N/n3c(C)nc4sc5c(c4c3=O)CCCC5)ccc21 3218854 PGMGAXSKEXSUDP-JFLMPSFJSA-N 440.572 5.655 30 40 IKEB Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc(Br)cc3)c(-c3ccccc3)c2c1 8425716 DDDWLUNZOSDSIJ-RVDMUPIBSA-N 442.356 7.177 30 40 IKEB O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccccc2)S1 9076082 XZVFPPHQPOQPAP-AOKXBXCXSA-N 447.535 5.029 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)sc1C 9174674 NSDCRQFEPMSZRH-MRXNPFEDSA-N 430.938 5.258 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1 9307687 ICJXFUSADYNFLR-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Sc1ccc([N+](=O)[O-])cc1C=O 13573902 XVFPWLNDPFJZHP-UHFFFAOYSA-N 437.480 6.159 30 40 IKEB O=C1CCCC2=C1[C@@H](c1cccc(Oc3ccccc3)c1)c1c([nH]n(-c3ccccc3)c1=O)N2 18196608 YTTZVWJKAJHGPI-XMMPIXPASA-N 449.510 5.522 30 40 IKEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 20060652 SGAJHBRWDRSGRB-MTDXEUNCSA-N 437.524 5.939 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 27519510 FHXJVWVBTMCULZ-STZFKDTASA-N 431.473 5.065 30 40 IKEB COc1ccc(CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)cc1 32594173 NSJXUGUPRDCPGR-UHFFFAOYSA-N 445.906 6.066 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1cccc(Cl)c1 59194450 LQWRUBGRZJBDFS-ZMOGYAJESA-N 437.908 5.624 30 40 IKEB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC=C1C(=O)CC(C)(C)CC1=O 101019670 DOKPPMBEAFKPII-UHFFFAOYSA-N 431.941 5.499 30 40 IKEB CC1(C)CC(O)=C/C(=N\c2ccc(C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)cc2)C1 102434979 CVDCNTZSJSSRKK-AVPKJXDZSA-N 428.414 7.006 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102876140 WWDCRQJPUJPTGX-NHFXJNLRSA-N 439.298 5.010 30 40 IKEB Cc1cc(C)c2c(c1)/C(=C1/S/C(=N/c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 103358393 CWAFIWKLHMDAAM-RMPMBVSISA-N 425.513 5.434 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2cccc(SC)c2)cc1)S(=O)(=O)c1ccccc1 224373234 LUFBPHOMEUBFMM-UHFFFAOYSA-N 438.574 5.042 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc12 409211445 NPKZXQXHTWORCL-WGOQTCKBSA-N 435.932 6.320 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409216368 HQWVUCNXTJZXHS-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3cccc(OC)c3)cc2)cc1OC 409382474 NDYVRKQBGFTFLS-AKBIMGJMSA-N 439.939 7.077 30 40 IKEB COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 709479 RATACYVCUKXARC-RUZDIDTESA-N 444.531 5.570 30 40 IKEB Cc1ccc(-c2ccc(/C=N\Nc3ccc(I)cc3)o2)cc1[N+](=O)[O-] 8452131 BEEOUECHRQGAQE-JAIQZWGSSA-N 447.232 5.214 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N(C(=O)c1cccs1)[C@H]2c1ccccc1 9482806 CJXHSLSYBRACAX-QFIPXVFZSA-N 429.545 5.600 30 40 IKEB CCCC/N=C1/Sc2nc3cc(C)cc(C)c3cc2CN1Cc1ccc2c(c1)OCO2 12880009 KMKFFEGEMGYMAP-OCEACIFDSA-N 433.577 5.844 30 40 IKEB CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1OC 13568497 APWHKHLFUGVKQB-RTWAWAEBSA-N 433.548 5.222 30 40 IKEB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OC/C(=N\O)c3ccc(Cl)cc3)ccc12 13773580 SXTWFWLDLALBNI-WEMUOSSPSA-N 447.918 5.911 30 40 IKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2C)[C@@H]1c1ccc(C(C)C)cc1 16741361 COEZEOKJFHLQMR-DEOSSOPVSA-N 433.548 5.672 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1C 30738673 HHGWGMCWHDRVFN-QDJRPKQISA-N 437.634 6.468 30 40 IKEB CCCC/N=C(/C=C1\SN(CC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 33352283 OPWCBPGPXAQPKY-JPVVWYJXSA-N 430.042 6.546 30 40 IKEB CCN(CC)c1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 33960856 XLLVCEWUWMRFCJ-RQKHIDBKSA-N 443.635 6.570 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)[nH]c1=O 59128844 QCBDENSGVLGQAJ-UHFFFAOYSA-N 448.913 6.526 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Cl)c2)cc1 102928312 AIPXHOOUQFXYBZ-WOOAAIBNSA-N 438.936 5.348 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223579409 NHNNEHIDLKDWHV-LNDJBHNWSA-N 433.621 6.341 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 408594160 SPJGNFJEJFNDPZ-JFLMPSFJSA-N 430.435 6.017 30 40 IKEB CCOc1cc(/C=N/n2c(S)nnc2-c2ccccc2)ccc1OCc1ccccc1F 409057851 IHVNKYGMCZFVRD-CVKSISIWSA-N 448.523 5.233 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2Br)c1 409217008 NEFPQPCNUJPLRM-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)S/C1=N/c1ccc(F)cc1 409250039 VVJLFYDRDRWQSY-XNMVVWAFSA-N 447.579 6.474 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(C#N)cc2)cc1C(C)C 409283222 RMVQQYBQIKWBPI-UHFFFAOYSA-N 436.515 5.258 30 40 IKEB COc1cccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)c1 409296174 HJTLQJLPZRGEQI-UHFFFAOYSA-N 429.863 5.354 30 40 IKEB CSc1ccc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 409308392 XJSBXPCSNZITRY-UHFFFAOYSA-N 430.371 5.061 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3cc(C(=O)O)ccc3Cl)c2)cc1C 409386953 OZAXRUPZRXRXAP-LGJNPRDNSA-N 436.895 5.423 30 40 IKEB COC(=O)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 409388761 WEFWNLVMGZFXJI-JFLMPSFJSA-N 430.504 5.167 30 40 IKEB CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 1772614933 FDIWCHYTKOPHPS-QFIPXVFZSA-N 439.515 5.174 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 2049238381 NVFBLCBUSIGTCH-VOTXFUGMSA-N 444.637 5.681 30 40 IKEB C=C1S/C(=N\c2ccc(Sc3ncc(C(F)(F)F)cc3Cl)cc2)NC1(C)C 2562197 SRJXHAUIZZZEGT-UHFFFAOYSA-N 429.920 6.521 30 40 IKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c(C)c1Cl 3116181 UKWKIDJUGZILMQ-XODNFHPESA-N 442.902 7.080 30 40 IKEB CN/C(S)=N\N=C\c1ccc(OCc2c(Cl)ccc(Cl)c2Cl)c(OC)c1 6132254 AZCLOPMDTCYMJB-GZIVZEMBSA-N 432.760 5.074 30 40 IKEB CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 8384344 IQGAOGMWSBUQIZ-QFIPXVFZSA-N 435.476 5.138 30 40 IKEB N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCc1ccc(Cl)nc1 8451269 AGINIYKHVBWLEV-UHFFFAOYSA-N 425.991 6.751 30 40 IKEB COc1ccc(C(=O)/C(=C\c2cc(OC)c(OC)cc2OC)c2nc3ccccc3o2)cc1 8915585 TYQQTMYXCXESNK-CPNJWEJPSA-N 445.471 5.286 30 40 IKEB biogenic N#CC1(C#N)[C@H](c2ccncc2)[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]21 8926469 OXCIYJZVMDHYKH-SMIHKQSGSA-N 436.902 5.019 30 40 IKEB CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 9358290 WYVIQTDQUKLAOC-MHZLTWQESA-N 446.591 6.419 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 9851593 PRYOEAHVBRFDGW-DJUDNFEDSA-N 434.348 5.140 30 40 IKEB CC(C)c1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 13769296 POTNFYZTDRTMSV-UHFFFAOYSA-O 429.371 5.458 30 40 IKEB C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1O 15276979 PSLBUIMSVOPXPB-QMPKWXHSSA-N 426.303 5.690 30 40 IKEB C[C@H](C1CC1)N(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 32936596 GTJFFOHTJCDLHS-MRXNPFEDSA-N 442.485 5.020 30 40 IKEB CCCCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 32984339 IXQGQHOXWGROAO-UHFFFAOYSA-N 449.547 6.126 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3cccc(F)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1 32984429 WIBGKDBCYYWWRV-UHFFFAOYSA-N 425.456 5.231 30 40 IKEB COc1ccc(/N=C2\[C@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 33435839 XDCJEFXHDHXMHZ-XLPMDEKGSA-N 445.607 5.885 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/C3=C[C@@H]4C(=O)c5ccccc5C(=O)[C@H]4C=C3)c2C)c1 408738491 ZOCQXCWYXGJCDZ-NLJFTWOZSA-N 434.539 5.895 30 40 IKEB Cc1ccccc1COc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 409025291 SSJZWIZRYBTXFV-NJZRLIGZSA-N 443.550 7.177 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(Cl)c2Cl)NC1=O 409104703 HLVQOEKWCNNESE-DHDCSXOGSA-N 427.740 5.937 30 40 IKEB C=C(C)c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 643550228 ATBBRRNGRQJNES-UHFFFAOYSA-N 425.916 6.840 30 40 IKEB O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1816343 ACOVZVSVXFHXOI-UHFFFAOYSA-N 427.351 5.949 30 40 IKEB C#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2060631 RIBHGCNTMRIMTN-UHFFFAOYSA-N 440.612 5.636 30 40 IKEB biogenic COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C(C)C)cc1 3259319 HAXMEVVLRSIKNM-UHFFFAOYSA-N 440.572 6.230 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCN1CCCCC1 4027652 LDRSZLORBJFCJZ-ZLQWOROUSA-N 427.629 5.306 30 40 IKEB biogenic CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)[C@@H](O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 4293644 UUQHSDXEXFGEPZ-TZFZIGMVSA-N 430.717 7.380 30 40 IKEB C=C(C)CS[C@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CC[C@H](C(C)(C)C)C3 4907132 RLVDOZLLKXBQFM-HJPURHCSSA-N 426.651 6.564 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)c(Cl)c1 6474355 RQPVNTINGDYDHN-UHFFFAOYSA-N 447.390 7.886 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)CC12CC3CC(CC(C3)C1)C2 8454521 XTTIFXXOEDCBOM-UHFFFAOYSA-N 445.415 7.139 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12 8813851 TVOZKOAQQKKJQD-OGLMXYFKSA-N 436.515 6.140 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1Cl 9195281 OCYSPSWUDUFRQK-RPPGKUMJSA-N 449.765 6.358 30 40 IKEB C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 9310027 SDKUGTDDYYBFSW-AOYPEHQESA-N 446.934 6.156 30 40 IKEB COc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c(OC)c1OC 9433998 SMDOXOQBDZXXEU-RUZDIDTESA-N 431.513 5.579 30 40 IKEB CCOc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3nc(C)cs3)nc3ccccc32)cc1 9468670 UNPLLBGUYFGDCX-GOSISDBHSA-N 448.573 5.158 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccccc3OC(F)F)cc2)cc1 13133686 BASBCDVYIVEQBY-XNTDXEJSSA-N 443.471 5.293 30 40 IKEB Cc1onc(-c2ccccc2)c1C(=O)N1CCS/C1=N\c1ccc(Cl)c(Cl)c1 13134638 BBKWAHJNNVAMPB-ATJXCDBQSA-N 432.332 5.834 30 40 IKEB O=C1/C(=C\c2cccc(C(F)(F)F)c2)S/C(=N/c2ccccc2)N1Cc1ccco1 13546740 BUQUYMMABQGASJ-JLDGAKEBSA-N 428.435 6.103 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1 13567883 JASDNOBPPCLERG-INIZCTEOSA-N 445.437 5.250 30 40 IKEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 15012767 HMIZZPZCZKYDCR-HAHDFKILSA-N 429.497 5.097 30 40 IKEB N#C[C@@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1 15981203 VYDHBACIMLOFSS-AREMUKBSSA-N 429.350 7.159 30 40 IKEB C=C1SC(=Nc2c(C)cccc2C)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 17110520 ADSWCQFUPZGLJU-UHFFFAOYSA-N 434.396 6.253 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 18250732 AKKBVQSJPCVNPB-NSYGIPOTSA-N 432.520 5.808 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 19827750 RCFHNUKWLMEQBX-DEOSSOPVSA-N 433.523 5.216 30 40 IKEB COc1ccccc1CN/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 20763470 IDUMDPDGUZTSBJ-UZWMFBFFSA-N 446.550 6.704 30 40 IKEB COc1ccc(/C=N\NC(=S)Nc2ccc(C(C)C)cc2)cc1OCc1ccccc1 33410427 GHQNPTVHKSJUMM-QQXSKIMKSA-N 433.577 5.718 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(OC)c4O)c3)nc2c1 38180019 BTUMZLYQKCALSF-FYDYWCEBSA-N 434.923 7.127 30 40 IKEB CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2c1 44167710 NTNLPAHRLIVOKJ-UHFFFAOYSA-N 442.563 5.484 30 40 IKEB CC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O 51366833 OYEUKCYVXSYVKV-RCRZSSQQSA-N 430.371 5.002 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S 58822052 LCHFEKUXJXRYBW-LDADJPATSA-N 446.391 5.415 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(Cl)cc(Cl)c2O)cc1 104099761 LAGMNEWJJIXYGR-FSJBWODESA-N 435.332 5.559 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 113833572 KQLGWMAJXMWKTC-WSDLNYQXSA-N 446.528 5.682 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)C2=O 118925726 FYAPPFWDCSJLLT-OTDSSJSPSA-N 445.430 6.880 30 40 IKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 408586083 LAMXAUOZLJBLJZ-UHFFFAOYSA-N 447.575 7.479 30 40 IKEB CC1=CC(/C=N\Nc2ccc([N+](=O)[O-])cn2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 408749172 FCWZTSWXWSUGRV-TVWCRUNBSA-N 440.503 6.027 30 40 IKEB O=C1C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)c2ccccc21 408787999 BXUUFTDUDKSZIB-UHFFFAOYSA-N 443.955 6.550 30 40 IKEB COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC(C)C 408915928 RXTSFXWIALKMTC-YUMHPJSZSA-N 448.588 6.426 30 40 IKEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(Br)cc1 408959816 GGQONSBHIGLKMR-VXMHBOQLSA-N 442.382 5.283 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC 408966614 PNAKARZBXQUJII-KZKLBEMASA-N 446.956 5.426 30 40 IKEB C=CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 409052261 GXWFECKJWAOBOG-OEAKJJBVSA-N 428.355 5.974 30 40 IKEB CCOc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 409217839 XHQULMDDIBMWSO-OEAKJJBVSA-N 437.408 5.453 30 40 IKEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 409230827 GCDMJRRJMGWOLU-PCLIKHOPSA-N 443.484 5.986 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)S/C1=N/c1ccc(OC)cc1 409234734 XVSGYKPFCOTHCR-DIRPYQRSSA-N 425.529 5.058 30 40 IKEB Cc1ccc2nc(-c3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3Cl)oc2c1 3084991 VTCHEWBHEJYAAH-KBKYJPHKSA-N 425.315 7.183 30 40 IKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1O 3113146 SUQXUZXSFCWDED-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB N#Cc1c(NC2CCCCC2)nc(SCc2ccccc2Cl)nc1-c1ccccc1 8762250 OYRBWZKIJHPAPS-UHFFFAOYSA-N 434.996 6.706 30 40 IKEB CCOC(=O)[C@](C#N)(Cc1c(F)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl 9530653 OOSISOAQXUCCMB-KRWDZBQOSA-N 435.204 5.113 30 40 IKEB COc1cccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1OC 12555114 PINYIYIVHZGXKA-SDNWHVSQSA-N 445.902 5.762 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 14126801 VBUUBOYNKQTGTC-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1 17098490 WBMRVESQUZSWJJ-OPAMSOAESA-N 433.533 6.690 30 40 IKEB CCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)cc1 17099620 ZMJPANBRTQPAAO-NFQMXDRXSA-N 435.527 5.851 30 40 IKEB C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)c2ccccc23)cc1Cl 19804664 FZBOJNQJTOHFSM-OAQYLSRUSA-N 435.907 5.036 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cc(F)ccc1F 21722703 SALLTGFYYHQWOM-VWLOTQADSA-N 449.457 5.177 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 25615758 DNATVEAMVQJOSK-NRFANRHFSA-N 431.561 5.259 30 40 IKEB Cc1ccc(Nc2oc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)nc2C#N)cc1 26841695 OEMWCMDAJUMLFI-CPNJWEJPSA-N 446.557 5.042 30 40 IKEB Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)c(C#N)c1-c1ccc(C(C)C)cc1 35897660 USOLBVYBTREFQK-OSZJIOELSA-N 434.561 5.570 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 51366983 LEHKLFXCYIZPJE-IOYLVGNBSA-N 443.616 6.481 30 40 IKEB Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1Cl 59105980 SCHXCBFVPZENIY-UDWIEESQSA-N 425.916 5.778 30 40 IKEB Cc1sc(N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)nc1-c1ccccc1 59193813 HFKLFKIERBATSR-CVKSISIWSA-N 447.947 6.437 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59474890 XHRHFLPKAQTXAZ-MFKUBSTISA-N 428.517 6.448 30 40 IKEB COc1ccc(/C(C)=N/n2c(-c3ccc(F)cc3)cs/c2=N\C2CCCCC2)c(O)c1 101156929 ZLKUZECIAXJDNY-WSWVBUEFSA-N 439.556 5.576 30 40 IKEB COCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)S/C1=N\c1ccc(OC)cc1 101633172 CFFJQCHIQBJBOM-JWMLTMDESA-N 449.576 5.481 30 40 IKEB CCOc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2ccccc2)cc1 102667921 RWRNKYRPZNKWEG-YUMACXKZSA-N 425.484 5.268 30 40 IKEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 102931307 DDOKQZLYLWWRCT-AYWGPLOBSA-N 445.515 5.208 30 40 IKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2C(C)=CC1(C)C 198161149 LTISDLDOMRPWCQ-NDZAJKAJSA-N 440.587 7.568 30 40 IKEB COc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)ccc1OCc1cccc(C(=O)O)c1 408811206 KTOFYEFTWXQBSU-MXAYSNPKSA-N 434.448 5.248 30 40 IKEB CC[C@H](C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531383752 PEADCZMUSJXJIQ-DCMOEJRUSA-N 431.923 5.776 30 40 IKEB COc1ccnc(Oc2ccc(Cl)cc2)c1C(=O)N/C=N/OCc1ccc(Cl)cc1 8855353 RGMDWTYXYYNUNN-UHFFFAOYSA-N 446.290 5.079 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C 9500191 OWKWRPVCDMNOPV-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@@H]12 10272335 SDYMIDMUFXWPCF-WEGIEPQNSA-N 438.514 6.415 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)OCc1ccccc1 12445217 DJWUJXOFCGPZHH-HXUWFJFHSA-N 425.315 6.706 30 40 IKEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)cc1 12808834 CXMSVBYEEFLLKW-UHFFFAOYSA-N 440.330 5.083 30 40 IKEB C=CCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1nc(-c2ccccc2)cs1 19203892 WLKMAFQAZYVFNM-UHFFFAOYSA-N 433.558 5.775 30 40 IKEB COc1ccc([C@@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)cc1[N+](=O)[O-] 33903890 IEXVMBAURGKIMU-MRXNPFEDSA-N 444.531 6.285 30 40 IKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(N(C)C)cc1 39563645 CCHQAHAGXCKWPP-LFIBNONCSA-N 426.947 6.826 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C#N)C1 57313762 YOIJJLVFJQDKTQ-BJRSVTDJSA-N 430.573 6.683 30 40 IKEB CC(=O)c1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 59500718 VZISWLZFVMVQIA-VULFUBBASA-N 433.916 6.727 30 40 IKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 105449435 SQGBLNMROFTBRL-UHFFFAOYSA-N 434.930 6.334 30 40 IKEB COc1cccc(/C=N/C[C@]2(O)CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O 118918854 PFLCXOYUUHWAGR-VPQSJMKGSA-N 439.640 5.984 30 40 IKEB Cc1nnc(S)n1/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 408854737 APLMYGSMVGVWFK-AUEPDCJTSA-N 430.364 5.376 30 40 IKEB CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 408905519 BIUPAMMTHIHJTD-SXKXEDTISA-N 442.584 6.839 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1OC 408907843 PFZXMWDTSBHEST-MGFZLMGHSA-N 444.556 6.069 30 40 IKEB CC(C)n1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 408909728 HGCATJACOYGLJH-NTFVMDSBSA-N 441.600 7.165 30 40 IKEB Cc1c(/N=C2\S/C(=C\c3cn(C(C)C)c4ccccc34)C(=O)N2C)cccc1C(=O)O 408930776 BVWVXIMVMWTRIO-DLVSTPSBSA-N 433.533 5.463 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3c(O)ccc4ccccc34)cc1)N2 408936448 GLSSUTWJJAVVCN-GAKUDXKKSA-N 430.551 7.431 30 40 IKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409111505 DABCOFNRGKINNV-UHFFFAOYSA-N 428.359 6.922 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1OC 409197713 MXRYVMXTLUMIJK-UHFFFAOYSA-N 427.136 5.397 30 40 IKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1NC(=O)c1ccccc1 409210775 LBKFTFIJDLDOII-FSJBWODESA-N 430.733 5.655 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(SC)cc1 409336259 RGZVZKKEDTZTMT-ZDUSSCGKSA-N 430.371 5.277 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3OC)cc2)cc1OC 409375941 RFOHATRLZRWFSS-DCMOEJRUSA-N 439.939 7.077 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 710779 WUMXPTFQJQQTPD-CMJOXMDJSA-N 440.490 6.746 30 40 IKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8821100 AYVRCENRTDDICG-HYARGMPZSA-N 441.468 5.900 30 40 IKEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 8990625 LWAFWWKMFBBDIG-HAHDFKILSA-N 434.513 5.368 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)c(Cl)c2)C2=C1CC(C)(C)CC2=O 9731353 NPMPKRNHXJLMHA-UHFFFAOYSA-N 441.999 6.054 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(OCC)cc1 13306317 VHOWKWWTWXMHIJ-ZMPCKTLKSA-N 439.606 5.860 30 40 IKEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 15225765 YZNSASLDRXVXFU-ZHACJKMWSA-N 435.367 7.200 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccccc1OCc1ccccc1Cl 16450096 ILSDVUZNYNMNMF-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17100480 SSJIPWRKLLMHBW-ODCWNRFASA-N 436.540 5.995 30 40 IKEB COc1ccc(CN/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1OC 20196249 QSPJIZJZOZBLHE-MUFRIFMGSA-N 431.511 5.278 30 40 IKEB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 40049306 YFHUGTGNTPUARE-IRXDYDNUSA-N 444.560 5.034 30 40 IKEB C(=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1)\c1ccc(OCc2ccccc2)cc1 59461378 FVGCLJVNGAORAS-NRYSQFAASA-N 428.513 6.456 30 40 IKEB Clc1ccc(-n2c(-c3ccccc3)cc(/C=N\Nc3ccccc3)c2-c2ccccc2)cc1 83306400 MWKXJYUWUBGBNQ-YQYKVWLJSA-N 447.969 7.911 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(C#N)ccc1NCC 100499353 XBJPMINCFMFMCY-KZKDCJJISA-N 447.589 5.150 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408666970 ASWGQAXRIZTPOT-LDTXMFMOSA-N 436.596 5.858 30 40 IKEB N#Cc1c(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)sc2c1CCCC2 408735998 ZLIBLECMCLSJNL-UVHMKAGCSA-N 441.383 7.135 30 40 IKEB CC(=O)c1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408742479 WSLOWYOXWZHAEY-WEMUVCOSSA-N 440.546 7.765 30 40 IKEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 408783570 OTMRJKOSIOFFMK-UUYOSTAYSA-N 428.286 5.524 30 40 IKEB Fc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1Cl 408846257 QCLACAYIGNIEDG-LSFURLLWSA-N 445.140 7.390 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)c2C)cc1Cl 408866789 IXMLPEOSVGYMSJ-NHDPSOOVSA-N 439.943 6.087 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccc(C)cc1 408913293 PVPPLGUIILCGCZ-LBMUFILHSA-N 447.516 6.177 30 40 IKEB COc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1O 409084948 YNMTVEOYESMOAX-DKZNWEEVSA-N 447.398 5.998 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1cccc2ccccc12 409113712 GHOBZJHQNGWLDP-UHFFFAOYSA-N 437.583 7.467 30 40 IKEB Clc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 409199038 BCGYVNRVCRORGO-STBIYBPSSA-N 448.349 8.115 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1Cl 409215858 FVYKSJPOCKYYRO-DHRITJCHSA-N 444.756 6.749 30 40 IKEB N#CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 409377313 GBWUOZXLCYWTQT-NMRWETQTSA-N 434.524 5.973 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 2055225 LXLRCOUHSWCKQG-JOCHJYFZSA-N 427.972 5.820 30 40 IKEB COc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl 3357462 SWXNINOWKRVFCJ-AWEZNQCLSA-N 426.973 5.898 30 40 IKEB CCCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 4285260 HCTLUVVPAJEIAS-QHCPKHFHSA-N 425.569 5.421 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\Cc1ccccc1 8628259 PBFNGFZVZGQPST-ZMPCKTLKSA-N 439.606 5.338 30 40 IKEB COc1cccc(-c2c(C#N)c(SCc3cccs3)nc3c2C[C@@H](C(C)(C)C)CC3)c1 8781202 ZTOMHXIHDYCCPG-SFHVURJKSA-N 448.657 7.134 30 40 IKEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)cc2C(F)(F)F)NC1=O 8820745 PACKNLOLJINWJE-YVLHZVERSA-N 438.858 5.815 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccccc4C)ccc3C1=O)cn2C 8992669 UJMJQPLDIWJCEY-BRJLIKDPSA-N 439.467 5.331 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9763879 DYCLQCJUNQRXSY-LJQANCHMSA-N 425.271 5.171 30 40 IKEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1F 11914358 ZDZRPDQAASTLEJ-QFIPXVFZSA-N 425.500 5.239 30 40 IKEB N#CC1(c2ccccc2)C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 15978646 YSGMUAQEMWZWRI-NNFYUIBOSA-N 444.361 7.285 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)nc2c1 17103134 KHHZDOALFTVXOL-HWDKICEFSA-N 439.342 7.771 30 40 IKEB Cc1ccc(/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc3ccccc23)cc1 17162126 KVBAGGPRRSFBOP-LCUIJRPUSA-N 426.432 5.829 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccc(C)cc1 20763266 ZMTBDPVZVCWIGP-JFLMPSFJSA-N 438.955 5.758 30 40 IKEB CCOc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 32984345 WKHXLBXLBLKCSJ-UHFFFAOYSA-N 437.492 5.183 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 72182632 JVBJMRIVVNLPKI-CYYPHDLDSA-N 433.677 6.024 30 40 IKEB CCCCCCCCCCCCCCCCNC[C@H](CC)Oc1ccccc1[C@H](C)CC 100023716 CLIFPJYOATWUDZ-IZLXSDGUSA-N 445.776 9.428 30 40 IKEB C=CCn1c(-c2ccc(F)cc2)cs/c1=N/c1ccc(-c2nnc3n2CCCCC3)cc1 100114419 KUYPYENQWNZOFJ-IMVLJIQESA-N 445.567 5.759 30 40 IKEB Cc1cc(C)c(NC(=O)C[C@@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c(C)c1 101650992 HVYSOYAEJUCZRW-IPVOUAOMSA-N 429.973 5.164 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2)cc1 102495658 NWZPFVLGNMYBSF-JBCNATCCSA-N 426.497 5.231 30 40 IKEB O=C(/C=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1 408732422 RFIQFIWCCXRZLT-QURGRASLSA-N 425.531 7.707 30 40 IKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 408775047 XYRYGVDCWRGWRV-YDZHTSKRSA-N 442.300 5.652 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 408861201 PHANRYGBNKQGAF-KBBHJCPHSA-N 445.415 7.176 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc3ccccc3n2Cc2ccccc2F)c([N+](=O)[O-])c1 408938278 PUNOBLVALWLXCI-CFRMEGHHSA-N 433.399 5.091 30 40 IKEB CC(C)Oc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 408970095 AMEGEZOIUQQKQQ-MTDXEUNCSA-N 446.616 7.197 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(F)cc1 409099127 QNMWNSXQMXAREC-KVSWJAHQSA-N 433.405 5.663 30 40 IKEB Cc1cccc(COc2ccc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)cc2)c1 409233810 HQSZTPNLYGDBMJ-OEAKJJBVSA-N 448.975 6.427 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1-c1ccc(C#N)cc1 409299524 SWOPUPNYTLILNT-UHFFFAOYSA-N 449.558 5.606 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409352871 ZBRYTLSDHUVBJR-FQEVSTJZSA-N 441.000 5.537 30 40 IKEB CC1(C)OB(c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C 2113448350 LIYWMDGGIFFLOT-UHFFFAOYSA-N 445.371 6.750 30 40 IKEB C(=N/c1ccc(Oc2ccc(Oc3ccc(/N=C/c4ccco4)cc3)cc2)cc1)\c1ccco1 1424067 YROUPKMRUVUYTL-CZYCKNNWSA-N 448.478 7.958 30 40 IKEB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1 3290852 KDPQQYZPAZNJML-INIZCTEOSA-N 447.560 5.114 30 40 IKEB O=[N+]([O-])c1ccc(/C=N/Nc2cc(-c3ccccc3)c3cc(Br)ccc3n2)o1 8952375 PVDHHCYITVVQQC-WSDLNYQXSA-N 437.253 5.612 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccc(F)cc1)OCCCO4 9058675 NVTWLRKJNSNUFL-OAQYLSRUSA-N 445.534 5.627 30 40 IKEB Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 9261286 WDLXOKWWOKRWLN-HZHRSRAPSA-N 447.579 6.422 30 40 IKEB CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 9380131 XCUAWQHGEKFLGL-QFIPXVFZSA-N 431.875 5.326 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl 13482300 SRSOJXJDJDRYLG-CGQHOMIXSA-N 431.319 5.224 30 40 IKEB Clc1ccc(/C=N\N2CCN(/N=C/c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 17422495 LDSOWJJTHNMJLW-QEUMEHMPSA-N 430.166 5.286 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OCCC(C)C)c1 20672490 FTKOIQCQFONSLZ-XMMPIXPASA-N 431.536 5.479 30 40 IKEB CN(C)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 68568562 NFDMREXGTSXTER-UHFFFAOYSA-N 439.215 5.948 30 40 IKEB biogenic O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccc(Cl)cc1 102502388 ROMUWBVABRQNOU-YDJIHCHBSA-N 442.273 5.759 30 40 IKEB COCc1cc(C)nc(N/N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)c1C#N 408601465 KBBUMVQQYFKWSQ-PPDIBHTLSA-N 438.890 5.226 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl 408816666 JZFMZNCKUMIXKH-GRSHGNNSSA-N 434.344 5.967 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 408901256 CQQXLNYMVRKICC-MHWRWJLKSA-N 431.717 5.473 30 40 IKEB O=C(COc1ccccc1/C=N\Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1 408933135 HUTDGAWSNHXGHI-WKIKZPBSSA-N 431.389 5.308 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1 408963267 YOXHHKHIHWWXPF-ODLFYWEKSA-N 445.327 6.154 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)S/C1=N/c1ccc(OC)cc1 409240342 SSSLGEZHRGXXMW-JHXFIANCSA-N 446.528 5.782 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCC 1531309930 BDAMAKSAAHYSDZ-FSJBWODESA-N 448.748 5.046 30 40 IKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)C[C@@H]12 1889138934 UELTYJDTQILMTO-VCLQJRCMSA-N 446.553 6.671 30 40 IKEB C=C(C)[C@H]1C[C@@H]2c3ccc(OC)cc3CCC[C@@H]2O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875483 REZRUYFQDRSAET-NTNMUZRVSA-N 440.511 5.440 30 40 IKEB C=C1C(c2ccccc2)=[N+](C2CCCCC2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 1829354 LQMAJFRCHHJTEF-FQLXRVMXSA-N 434.603 6.674 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC 2030973 QXWKCICSFIXFJP-QHCPKHFHSA-N 441.568 5.041 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2scc(-c3ccccc3)c2c1=O 2886637 ZPTCYXOQBULOLI-UHFFFAOYSA-N 436.533 5.425 30 40 IKEB Clc1ccc(-c2nc3sccn3c2/C=N/OCc2c(Cl)cccc2Cl)cc1 8782210 UDXFACQSWZNAMX-AUEPDCJTSA-N 436.751 6.574 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)c1 8820735 MZXLHEJEKMXVQX-PXNMLYILSA-N 442.846 5.268 30 40 IKEB CCOC(=O)c1c(C)nc2c(c1-c1ccc(Br)cc1)/C(=N/O)CC(C)(C)C2 8934222 RMIGBNQSIOKYCX-LFVJCYFKSA-N 431.330 5.147 30 40 IKEB CC(C)c1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 11869310 SFCXPZLWKWLWTE-MYKKPKGFSA-N 439.338 7.312 30 40 IKEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)S2)c1 17167321 ALIODALURXVDNP-NHDPSOOVSA-N 439.943 6.087 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(C[C@H]2CCCO2)C1=O 19637544 SYSLHZGKUNLUIS-LVVHTTAXSA-N 442.968 5.522 30 40 IKEB CN(C)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 102601961 YDXOPOBKOOSCBJ-MOBKVPTQSA-N 432.907 5.032 30 40 IKEB C=CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(Cl)cc1 224713079 PKPJZFBKWMCCMM-UHFFFAOYSA-N 442.024 6.189 30 40 IKEB COc1ccc(C(=O)[C@@H](C)[C@H](C#Cc2ccccc2)[C@@H](C)C(=O)c2ccc(OC)cc2)cc1 245377150 HILOGFVLUZLEML-AGPMEKIXSA-N 440.539 5.710 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 408822784 MBPSARFXBSJBLV-ATVHPVEESA-N 446.322 5.263 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OC 408905446 AHBYNBGTDVWLNC-UINIZAEWSA-N 444.556 5.898 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)o2)c(C)c1 408960190 DGGZWEYKCUILAG-FYJGNVAPSA-N 432.501 5.242 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Br)c(C)c3)c2C)c1 408968573 XMKRYKCDMPHIFJ-AFUMVMLFSA-N 439.353 6.092 30 40 IKEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 409056245 GCAIQTWCECYYDX-AFUMVMLFSA-N 437.565 5.813 30 40 IKEB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2cccc(Br)c2)o1 409189770 SNULBQXRKZUTTL-WYMPLXKRSA-N 446.728 6.678 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409200117 GTEITEIABNLIQY-MFKUBSTISA-N 443.952 5.874 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 409208981 DTZDIKYHVUNYAO-CVKSISIWSA-N 438.365 6.794 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2 4065635 LNVYGCRQHNZVOG-NSYGIPOTSA-N 435.354 6.973 30 40 IKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1c(Cl)cccc1Cl 8857398 OVVNZNIXFCTBKY-UHFFFAOYSA-N 425.262 7.097 30 40 IKEB C/C(=N\OCc1ccc(Cl)cc1)C(Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1 8925728 PPCILYFNQNVAEI-RWPZCVJISA-N 448.781 6.431 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S 9113192 JIUOZIIBMSTVIA-WQRHYEAKSA-N 446.937 5.214 30 40 IKEB O=[N+]([O-])c1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 9196167 AHBMZHZYRJBXJP-WYMPLXKRSA-N 430.291 5.604 30 40 IKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(CC(=O)O)cc1 9196652 VTKYITFGJSSSOU-BRJLIKDPSA-N 430.335 5.152 30 40 IKEB Cc1cccc2cc(/C=C/C(=O)c3c(-c4ccccc4)c4ccccc4[nH]c3=O)c(=O)[nH]c12 9349075 ARSYGIBJUNUGFR-CCEZHUSRSA-N 432.479 5.241 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(CC)cc1 9427225 IFMSQQHWHAJATI-JOCHJYFZSA-N 446.576 5.151 30 40 IKEB Clc1ccc(CN/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 10119137 NJXILRTWDOJRON-MUFRIFMGSA-N 435.354 6.849 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 13475592 UEJXYZVJWOOHTC-QDJRPKQISA-N 429.570 6.174 30 40 IKEB COc1cc2c(cc1OC)C1=C[C@@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1CC2 13591083 BJQAEPSZBKQFFF-FQEVSTJZSA-N 433.523 5.483 30 40 IKEB O=C(/C=C1\OCCN1C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 36625107 PWYJDWZUVITIKE-MFOYZWKCSA-N 431.102 5.497 30 40 IKEB CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 97953938 JVAONTSLNCYECV-QHCPKHFHSA-N 431.624 7.006 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1 102501012 VEXIJUURWJQFRF-MRJHHRETSA-N 444.487 5.370 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3/C(=O)N(C)c4ccccc43)C(=O)N2c2ccc(C)cc2)cc1 103151172 YWMICQGFRCHBFS-QHZZAZJUSA-N 439.540 5.459 30 40 IKEB C/N=C1/S/C(=C\c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C 210973426 NOGLDMOKBGVJSZ-MICMYVEHSA-N 425.312 5.243 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)N1C 408910284 GSFDGFJTWULUPK-QMSJJHEMSA-N 447.516 5.959 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)S2)cc1 408962954 WHYQNQMSDPNTRG-ZVHZXABRSA-N 441.531 6.029 30 40 IKEB Fc1ccccc1COc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409038074 UQDWXUTZNQQSQC-FLUNURKVSA-N 446.725 5.772 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccccc1OCc1cccc2ccccc12 409039018 QHSJXQNRADEYKF-XKJRVUDJSA-N 444.350 6.133 30 40 IKEB CC(C)(C)[C@@H]1C[C@H](C(C)(C)C)[C@@]2(C(=O)OC3=C(C2=O)[C@H](C(C)(C)C)C[C@@H]3C(C)(C)C)C1=O 409066064 VMDSRARXVSWQPD-RKUITRTASA-N 444.656 6.379 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc2ccccc12 409214513 YBIDJMYZUAFPSC-OCSSWDANSA-N 443.974 7.838 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccn3)c2C)S/C1=N/c1ccc(F)cc1 409242104 LXKWHEIMIYBJNZ-GVEHJNPDSA-N 434.540 5.561 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=C/C(C)=C/c2ccco2)cc1C(C)C 409284313 TZIZULBURICUFX-WYZIOEFASA-N 441.531 6.034 30 40 IKEB O=C(CO/N=C\c1ccccc1OCc1ccc(Br)cc1)Nc1ccccc1 409377540 IDZFTYXBJXSRJB-OYKKKHCWSA-N 439.309 5.017 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc(Oc2ccccc2)c1 1459779 QKJLPLLSTSADJN-DEOSSOPVSA-N 437.495 5.610 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cc(Br)cc(Cl)c1O 1953633 FWBZKGLQKZGAAX-MLPAPPSSSA-N 444.137 5.353 30 40 IKEB CCCCc1ccc(/N=C2/C=C(Nc3ccc(CCCC)cc3)C(=O)c3ccccc32)cc1 8439345 XFHRUCDNXCSWNQ-PNOGMODKSA-N 436.599 7.685 30 40 IKEB C#CCn1c(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 8857058 MGHBWEHTFDEJSJ-UHFFFAOYSA-N 449.406 7.449 30 40 IKEB CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 9380130 XCUAWQHGEKFLGL-JOCHJYFZSA-N 431.875 5.326 30 40 IKEB N#CC1(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 13635574 GIMPXNKAJBQLLQ-KYPHJKQUSA-N 435.914 5.750 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O 14922968 YSJLATCGOPKBCC-YSURURNPSA-N 441.802 5.660 30 40 IKEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 20191080 MJVQYZUGNJJEBL-XMMPIXPASA-N 448.607 5.294 30 40 IKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 20761487 QMAFQLHUPMJGTE-LGJNPRDNSA-N 445.346 5.713 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c2ccccc21 28182527 XEMGDIDTYNMEJB-MXAYSNPKSA-N 429.903 6.510 30 40 IKEB CCCCOc1ccc(Br)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 34702088 ACJTXLAUKIFDBW-UHFFFAOYSA-N 445.353 5.756 30 40 IKEB C/N=C1/S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N1C 59104528 XKZKQIVNMJCGHJ-PDIQUHFFSA-N 437.348 5.113 30 40 IKEB Cc1cc(Cl)ccc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O 101650386 RBQZXKKSZSEKPP-IHIJCHFRSA-N 440.327 5.031 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@H]3c3ccc(C)o3)sc2c1 102733494 VMMJRYHVAXCGIV-JBCNATCCSA-N 444.512 5.386 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 102957350 AGCBUNKQZMPYNJ-WPWMEQJKSA-N 425.488 5.475 30 40 IKEB O=C1C2=C(N=C3C[C@@H](c4ccccc4)CC(O)=C3[C@H]2c2ccc(Cl)cc2)c2ccccc21 104155758 JZRVPEZFYKMXSK-HOYKHHGWSA-N 437.926 6.876 30 40 IKEB CCCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)SC1=Nc1ccccc1 260572572 WWYSEDDAYLITQW-WFGOECQOSA-N 447.648 6.731 30 40 IKEB C=CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1F 408596767 UKDGYOABYQIRQG-UHFFFAOYSA-N 448.523 5.066 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3n2CC)ccc1OCc1ccc(Cl)cc1 408692186 GRVVEMHOSHGCIL-JVWAILMASA-N 448.954 6.133 30 40 IKEB CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408860432 VLWOGLIFUUPFJF-LQVWYFLWSA-N 448.632 6.904 30 40 IKEB CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC 408926305 SXGKAQJJEKOZCO-UHFFFAOYSA-N 443.971 5.571 30 40 IKEB CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=Nc1ccc(OC)cc1 409016178 UVOPJOHBGZWGNI-KWKLDLJFSA-N 426.538 5.115 30 40 IKEB Cc1cc(/N=C/c2c#ccc(OCc3ccc(Cl)c(Cl)c3)c2)n(-c2ccccc2)n1 409064164 CCAKIYGPUDLTPX-JFLMPSFJSA-N 434.326 6.418 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c2C#N)C1 409088503 KDMZDQDAPAYNLO-PGCIDKTFSA-N 428.470 5.043 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OC 409209561 HAGRPOCLNXMDPT-SRZZPIQSSA-N 441.696 5.577 30 40 IKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409210217 JCOZKDWEMRUZGJ-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(Cl)s3)cc12 409298165 YLIGYKSDKVKRHT-UHFFFAOYSA-N 435.892 5.415 30 40 IKEB COc1ccc(C=Nn2c(-c3cc4c(OC)cccc4o3)nc3ccccc3c2=O)c(C)c1 409302813 GQBHKJDHZRPPOU-UHFFFAOYSA-N 439.471 5.018 30 40 IKEB COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1O 815829 MMOUQZPPZBBYDD-WINIVTDRSA-N 426.516 5.689 30 40 IKEB CCOc1cccc(/C=N/c2ccc(NC(=O)c3ccccc3)c(Br)c2)c1O 1505754 XDUUUNGTMPTOJQ-ZVHZXABRSA-N 439.309 5.556 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 2173317 RZODHAXXAPBNNY-PDGQHHTCSA-N 442.949 5.984 30 40 IKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1C 6280298 HSXQPNUMGKYBCC-YDZHTSKRSA-N 428.317 6.066 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)nc(SCCCC3CCCCC3)c2C#N)cc1 8445795 STDXJYRKTZVCRH-UHFFFAOYSA-N 442.628 7.748 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1 8821217 SNTQQFGSORAUPR-WOJGMQOQSA-N 429.328 6.453 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 9271602 UIMJMNCRBOQYJC-SFHVURJKSA-N 440.546 5.003 30 40 IKEB Brc1ccccc1-c1nnc(CON=C2c3ccccc3-c3ccccc32)o1 13527733 VCOCGCRDVDTNBD-UHFFFAOYSA-N 432.277 5.449 30 40 IKEB Cc1cc(C(F)(F)F)c(C#N)c(SC(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 13578791 ZZFPOKISAAIMIY-UHFFFAOYSA-N 438.431 5.007 30 40 IKEB Cc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1NC(=O)c1ccccc1 13616258 FASAZHMWKWQXKQ-MQOOMQLBSA-N 438.527 6.658 30 40 IKEB Cc1ccc(C(=O)Oc2ccccc2/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 27023690 CTBHDLPTEGKULP-WPWMEQJKSA-N 425.440 5.777 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3cccc(Oc4ccccc4)c3)C2=C(O)C1 36602819 RREADCRJTXDABK-RUZDIDTESA-N 441.571 7.292 30 40 IKEB CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OP(=O)(O)O 49757239 CKJMLYSHLAGUPS-QJRAZLAKSA-N 436.526 5.037 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccc2OCCCC)cc1 100034576 RPUWRNHBPOBOLY-UHFFFAOYSA-N 440.628 8.029 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@@H]3c3ccc(C)o3)sc2c1 102733496 VMMJRYHVAXCGIV-MRJHHRETSA-N 444.512 5.386 30 40 IKEB CCOC(=O)c1ccc(NC(=S)N2/C(=N/c3ccc(Cl)cc3)SC[C@H]2CC)cc1 102909260 QGCYUXZZCQTEAX-GOTYSUTNSA-N 448.013 5.729 30 40 IKEB C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl 408571968 QDLYPGAWPHLTNA-FQEVSTJZSA-N 444.944 5.212 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)c1 408740579 LPMLSJCIXMALLF-HZHRSRAPSA-N 430.577 5.360 30 40 IKEB CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 408785633 IJBOZWLQBYPABF-LPYMAVHISA-N 446.357 6.171 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2Cc2ccccc2)cc1 408910783 HXBVGQCWGTVOKB-JUMVDPBBSA-N 428.513 5.497 30 40 IKEB CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1C 409068299 AEFWIYBXVHTRRC-MMKHHPBPSA-N 429.589 5.972 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409203422 WEZBYQGAMKJHKR-MFKUBSTISA-N 443.952 5.874 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2F)S1 409223036 YPGKYTQIPNQEMS-UDWIEESQSA-N 429.948 5.669 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1ccc(F)cc1 409245937 BCPOOYVEDBQUAD-YMERHICUSA-N 426.900 6.363 30 40 IKEB COc1cc(/C=N\c2ccccc2Br)ccc1OCc1ccc(C(=O)O)o1 409386986 YAENOUZLXDHXQU-JJFYIABZSA-N 430.254 5.079 30 40 IKEB Cn1cc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c2cc(F)ccc21 585294734 IOLVYNHEVUDIKJ-XMMPIXPASA-N 426.499 5.060 30 40 IKEB CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)O 1615235366 MUDPWZRGYHRPDQ-QFIPXVFZSA-N 430.626 6.627 30 40 IKEB C=CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2 2295387 NZLJVUPSJGTHOQ-UHFFFAOYSA-N 444.600 5.944 30 40 IKEB biogenic O=C1[C@H](Cc2cc(Cl)ccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 2671085 ZJLGJHFZDDYDPB-RCBZZLCRSA-N 427.356 6.372 30 40 IKEB CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)O3)cc1 3627586 ZMKZYYHUVDWHTH-GGXMVOPNSA-N 447.534 6.847 30 40 IKEB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 4098966 QQODLKZGRKWIFG-QSFXBCCZSA-N 434.294 6.317 30 40 IKEB in-man Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2)cc1C 9367967 AHZSMFWFBPMZLX-UHFFFAOYSA-O 427.496 5.243 30 40 IKEB N#Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1 9489946 FUJWULVYCABEQW-AEFFLSMTSA-N 445.832 5.321 30 40 IKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 16349935 RXBCIGASJUHXSO-PSYZWBJOSA-N 429.501 6.020 30 40 IKEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 36611381 UKLKXFMYMPTYFS-SSDVNMTOSA-N 428.901 5.276 30 40 IKEB COc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)cc1 83309677 ICOCMJQUQQWCPW-GSSCTWANSA-N 435.461 5.097 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c1 100233576 VDFSRGUKTMXNFI-CFEZCKOSSA-N 444.556 5.551 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1cccc([N+](=O)[O-])c1 104360280 UOGCKENBJCEZQP-YYADALCUSA-N 448.677 6.874 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(I)c(C)c3)c2C)cc1 408738527 LKGNAMPUIHZAJN-YDZHTSKRSA-N 428.317 6.066 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC 408858105 JRESHBBDWIAFKO-GCTLURRCSA-N 436.577 5.887 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)N2C)cc1 408911256 MLWWYBGSQQJKPJ-XWEQAZCRSA-N 443.355 6.796 30 40 IKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccc(Cl)cc1 408953371 OYZNQAHENMYUEJ-XOLKAKTPSA-N 437.952 5.763 30 40 IKEB Cc1ccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1C 408960932 JPGAWUOIEQFDTN-XDHOZWIPSA-N 442.371 6.293 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 408979503 RFDHIRDGSVSATE-SIFZUIMESA-N 426.585 7.037 30 40 IKEB O=C1C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)c2ccccc21 409129399 JLJVRJIHTJVGDE-UHFFFAOYSA-N 441.914 6.226 30 40 IKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409377643 JPSJQUMAFCFDSN-HVAQTUQNSA-N 438.930 6.761 30 40 IKEB CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1 524729926 OMHSTCAJNFYUBR-SGMQAHBGSA-N 426.468 5.573 30 40 IKEB biogenic C=C(C)[C@@H]1C[C@@H](c2ccccc2)[C@@H](c2ccc(OC)cc2)O[C@H]1c1cccc(C(=O)O)c1 2037879566 DTPNPJJRMZNMPS-NFGXINMFSA-N 428.528 6.572 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781283 VNTBBYYGWZQXCW-HXOBKFHXSA-N 437.561 5.015 30 40 IKEB CCCCCCCCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21 2315112 HEYQIGPAGSPDSN-UHFFFAOYSA-N 432.524 5.196 30 40 IKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1c(O)cc(C)c(Cl)c1C 3211238 KQOVOCNLLSDGKG-KBKYJPHKSA-N 425.315 7.183 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 3284460 LDHSKKAVYZFKMA-UHFFFAOYSA-N 431.565 5.031 30 40 IKEB C=CCN(C(=O)c1ccccc1Oc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 3326829 YOYNIGOGQAHALO-UHFFFAOYSA-N 446.959 7.089 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8821087 KCQACIADWXEOEM-WOJGMQOQSA-N 425.853 5.400 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 9042852 BVALXJPFVYPUFN-QFIPXVFZSA-N 446.572 5.975 30 40 IKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccc(F)cc1 9232230 FSYSSJDSHCQFAQ-UHFFFAOYSA-N 431.419 5.298 30 40 IKEB COC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccc(OC)cc2OC)C1=O 9721134 NVIOQNKVSHRVGS-BKUYFWCQSA-N 447.512 5.011 30 40 IKEB CC(C)Cc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(Br)cc3)n2)cc1 13658240 CFWITKNMMCOARG-XHPQRKPJSA-N 439.382 6.111 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)c2C#N)C1 17097407 QRRZFVTZZTZSPU-NSHDSACASA-N 431.344 6.564 30 40 IKEB O=C(NC1CCCCC1)c1c(/N=C/c2cc3c(cc2Cl)OCO3)sc2c1CCCC2 100395202 PHPNQZDEKDMBJH-BRJLIKDPSA-N 444.984 5.822 30 40 IKEB N#Cc1c(SCc2c(F)cccc2Cl)nsc1/C=C/Nc1ccc(Cl)cc1 100418407 GGWPWQVFBAQLNS-CMDGGOBGSA-N 436.364 6.836 30 40 IKEB COc1ccc2ccccc2c1C(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O 103721190 SGVZIVZKDURNPV-UHFFFAOYSA-N 448.559 6.334 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 118916211 FHIHDASURXFVSB-FFZJPKMISA-N 444.585 7.913 30 40 IKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934395 GCRIWPLHBVKSPY-HPLCAJFJSA-N 444.612 5.265 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)SC1=Nc1ccccc1 260562715 BMRRTKZNMLZOPG-OSCSYLJYSA-N 447.648 6.811 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408593499 QCXJYMQPGQRWJQ-KKMKTNMSSA-N 445.733 6.648 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4nc5ccccc5[nH]4)cc3)S2)cc1 408759646 IPMXMFPARILZJX-HMAPJEAMSA-N 440.528 5.342 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC 409055841 QGSBZPHKKNTJCM-BOPFTXTBSA-N 434.300 5.255 30 40 IKEB C=CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cccc(C)c1 409362638 SCODOPBNSYSIEA-UHFFFAOYSA-N 442.585 5.076 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1O[C@@H](C)CC 1531263382 QWKZYLNGMOBMEV-BGHCKBSUSA-N 442.357 5.171 30 40 IKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 2062826 BHCUKCAOAFYBRT-UHFFFAOYSA-N 448.346 6.311 30 40 IKEB CCOc1ccc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CCC3)cc1 4108603 SCJGCKQBZBFASA-WGOQTCKBSA-N 433.577 5.704 30 40 IKEB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 6444106 HNPUZIKDJRSQAK-HXUWFJFHSA-N 449.579 6.715 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 9272869 IRHZEHRSRKIZRW-HXUWFJFHSA-N 425.818 5.401 30 40 IKEB CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 9846343 YUFNSEOZIIYAFI-IPQBESIJSA-N 445.972 5.027 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 12870139 MQYXUWHLBZFQQO-HEQGEZKBSA-N 426.729 8.025 30 40 IKEB biogenic,in-vitro C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C(C(=O)OC)=C1C 14010529 DKPJMJARSVAHDB-UKWGHVSLSA-N 445.346 5.260 30 40 IKEB COc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC 20195677 LFMAJEGZRJLMIU-MZJWZYIUSA-N 445.346 5.713 30 40 IKEB CNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 21722388 UPRZMAGQQCKCLP-CRICUBBOSA-N 443.503 5.002 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 43867187 FELCJAPFJOPHSD-GFEHVKGOSA-N 440.712 7.204 30 40 IKEB N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)(F)F)cc1 44088059 RXZQXJNBDKIATL-UHFFFAOYSA-N 444.265 6.360 30 40 IKEB CCCCCCCCCCCCN[C@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)O 100908733 NFCCBECISXFJHJ-HXUWFJFHSA-N 441.012 5.641 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl 102401891 OGZLREXKACVGNC-SBXHHDGASA-N 445.946 6.398 30 40 IKEB CCOC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1 102932676 SYWPYLBQSPAALZ-OAQYLSRUSA-N 427.500 5.641 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 198151433 XRUQWDJSKQXLCL-STBIYBPSSA-N 446.978 7.523 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccccc4C#N)cc3)C(=O)N2C)cc1 408907347 MHCUEMCGZZPYNX-YNTCVYINSA-N 439.540 5.680 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)S2)cc1 408955345 WYEQPDZRJRAYAC-FYJGNVAPSA-N 448.500 5.244 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1OC 409220659 CXKZZCSRQWJUBF-UQACLUTFSA-N 434.920 5.510 30 40 IKEB CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N/c1ccc(F)cc1 409242674 SCWXZIWZZPHGNY-VDQGFZQOSA-N 432.520 6.029 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(-c2cccc(Cl)c2)o1 1531385480 JWNQQCSAACKIDQ-JVWAILMASA-N 425.875 5.859 30 40 IKEB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c3ccccc3n2)o1 672950 BWMMRJMJADZXFA-UHFFFAOYSA-N 441.556 6.648 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 2277546 OCNHDYVYSOLRKG-UHFFFAOYSA-N 426.651 6.252 30 40 IKEB Cc1ccc(NC(=O)C[n+]2c3n(c4ccc(C(F)(F)F)cc42)CCCCC3)c(Cl)c1 3211408 AGFZNGNYSYTVGL-UHFFFAOYSA-O 436.885 5.275 30 40 IKEB FC(F)Oc1ccccc1/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 3233482 SLRQZIGEKBMWAX-RWPZCVJISA-N 447.441 5.663 30 40 IKEB CCOC(=O)CCCSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N 8441146 RRXWTYAEQMAJGE-UHFFFAOYSA-N 432.545 5.731 30 40 IKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)o1 8452577 OXUQISYJXBUFNT-DYEBMTOPSA-N 435.461 5.097 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Cl)c2)sc1C 8895884 NMFAUXJJCPWEBT-INIZCTEOSA-N 430.938 5.258 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)sc1C 9174694 NSDCRQFEPMSZRH-INIZCTEOSA-N 430.938 5.258 30 40 IKEB CCOC(=O)c1cc2c(nc1C)-c1ccc([N+](=O)[O-])cc1/C2=N\c1cccc2ccccc12 12410891 AFNKSGZTBQRVCO-AZPGRJICSA-N 437.455 5.778 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@H]3c2ccccc2Cl)cc1OC 18199317 FGWIEEWJNLXGFK-NPMXOYFQSA-N 449.938 5.347 30 40 IKEB CCCCCCCCCCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(C)=O 97997098 ZFYRMQFKUCQZMW-DEOSSOPVSA-N 446.632 5.052 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 102692006 SRBWSVMELFJEJV-GHNGSUTGSA-N 447.249 5.055 30 40 IKEB CCCCCCCCCCCCC[C@H](CCCCCCCCCCC)C[C@@H](C)C(=O)O 105406319 JFXBYIDWKXORSN-IZLXSDGUSA-N 438.781 10.335 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#Cc4ccccc4)[C@@H]3CC[C@@H]2C1 118914957 AXNNSHMUJUSTKY-GMZOJPPVSA-N 434.620 5.744 30 40 IKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 144610679 YIROCRXVMWOQFS-WPWMEQJKSA-N 444.560 5.236 30 40 IKEB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(/C)CC[C@@H]1OC1(C)C 256365307 QYIMSPSDBYKPPY-URRHXOAYSA-N 426.729 9.816 30 40 IKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1O[C@H](C)CC 408596643 SISAPKNGNWLJHN-GMJSKMFWSA-N 431.330 5.447 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2CCc2ccccc2)cc1 408915590 YUYWIBLZUXGMIO-OBUXZSPNSA-N 443.528 5.750 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/Nc3nc(-c4ccccc4)cs3)c2)cc1 408987899 PHKBUXCWDRJAAA-BUVRLJJBSA-N 449.557 5.332 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 409064092 BPCKYSZGANILCK-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409211711 OHAWGFCQJCNXMZ-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409214881 VCVKXPDPDBIJMJ-MZJWZYIUSA-N 436.939 6.042 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(F)cc1 409216334 HIVVGQIHXWJOEF-UVHMKAGCSA-N 432.322 7.169 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 409250879 ONFRMSRDJSJHTQ-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 876738 QKGQXBXUUCDXJV-HSZRJFAPSA-N 434.561 5.024 30 40 IKEB C=CCOc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc2c1 1748327 NABRQIGCPCLNDL-UHFFFAOYSA-N 438.401 6.836 30 40 IKEB O=P(/C(=N\c1ccc(Cl)cc1)N1CCCCC1)(N1CCCCC1)N1CCCCC1 2072550 WTPPPBXALHACPX-GYHWCHFESA-N 436.968 5.978 30 40 IKEB Cc1cccc(/N=C2\N=C(S)N(c3ccc(C)cc3Br)C23CCCCC3)c1 2187642 INXQBBLOWACHNY-UHFFFAOYSA-N 442.426 6.605 30 40 IKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3Cl)ccc2C1=O 2228322 QGGSZYAFSHPLCU-QQAHGDJHSA-N 430.887 6.243 30 40 IKEB Cc1ccccc1/N=C/c1c(OC(=O)c2ccc(Br)cc2)ccc2ccccc12 3088624 NVGLUYQOPQGBMG-JVWAILMASA-N 444.328 6.881 30 40 IKEB O=C1CCCC2=C1C(c1cccc(OCc3ccc(C(=O)O)cc3)c1)C1=C(CCCC1=O)O2 3635446 WVWMQKFTTULERV-UHFFFAOYSA-N 444.483 5.092 30 40 IKEB FC(F)(F)c1cnc(/C(=N\Nc2cccc(Cl)n2)c2ccc(Cl)cc2)c(Cl)c1 8762156 HOGJZKDRNSHPCA-NTFVMDSBSA-N 445.659 6.320 30 40 IKEB COc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1OCc1ccccc1 12499342 MPZCOPFKSGDMIG-BRJLIKDPSA-N 435.738 6.680 30 40 IKEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1C1CCCCC1 12759304 KTNTZXFHYGTLAT-KRWDZBQOSA-N 440.613 5.614 30 40 IKEB CCc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C2CCCCC2)cc1 13597812 LACFZZDKSVRHSI-HNEFAFEWSA-N 434.561 5.884 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1\N=C(SCc2ccccc2Cl)SC1=O 15016449 OQQGBIOKODNGGG-MOSHPQCFSA-N 439.989 6.796 30 40 IKEB CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](C)CC1=O)N2 22608478 HJPHNCLWTQHFJK-QMHKHESXSA-N 446.576 5.237 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Sc2ccccc2)cc1 33702685 HCHHPWAWPGYBLQ-TURZUDJPSA-N 433.536 6.097 30 40 IKEB Clc1ccccc1COc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2[nH]1 59417075 KHUZKZFEAOBHKS-JFLMPSFJSA-N 426.907 6.395 30 40 IKEB COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408667371 VKFORWAOUGARHZ-UKTHLTGXSA-N 436.338 6.901 30 40 IKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 408771259 GHCYASGQQLUFMX-OEAKJJBVSA-N 428.317 6.012 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@H](C)CC)c(OC)c3)S2)cc1 408951171 HYOWNCMUDNPXIE-HFITWMCCSA-N 426.538 5.163 30 40 IKEB N#Cc1ccc(Oc2cccc(N3C(=O)c4ccc(C(=O)c5ccccc5)cc4C3=O)c2)cc1 409178061 JCGUIQFTCNHKHG-UHFFFAOYSA-N 444.446 5.382 30 40 IKEB C(=N\Nc1nc2ccccc2s1)\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409211023 KFRQOEHOPJJBET-NTFVMDSBSA-N 432.552 6.899 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccnc2)cc1C(C)C 409285547 WZXOGBYRVKDZDE-UHFFFAOYSA-N 426.520 5.171 30 40 IKEB CCOc1cccc(C=Nn2c(-c3cc4c(OC)cccc4o3)nc3ccccc3c2=O)c1 409306990 QQLDTPAJPICZNE-UHFFFAOYSA-N 439.471 5.099 30 40 IKEB C=CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC=C 627276232 MGHNPWQQDPYART-UHFFFAOYSA-N 442.240 5.203 30 40 IKEB CC(C)c1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1 1081802697 OMHSTCAJNFYUBR-GWJNGDFSSA-N 426.468 5.573 30 40 IKEB C=C(C)[C@@H]1C[C@@H](c2ccccc2)[C@@H](c2ccc(Cl)cc2)O[C@H]1c1ccc(C(=O)O)cc1 2037879865 UYGPWCAFOMKDKY-ASDGIDEWSA-N 432.947 7.217 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2scc(-c3ccco3)c2c1=O 1465350 WLRZYXGJCPDRBP-UHFFFAOYSA-N 426.494 5.018 30 40 IKEB COc1ccc(-c2c[n+](CC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)c3n2CCCCC3)cc1 2124079 QPNKEIUKHMGPED-GRYUFTJMSA-N 439.620 5.182 30 40 IKEB biogenic O=C(NC1CCCCC1)c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2 8451586 XHJRXSMLTWHYRJ-MXAYSNPKSA-N 435.420 6.747 30 40 IKEB N#Cc1c(/C=C/c2ccccc2F)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2 8873674 ZNUCKXWUCRGMHX-PKNBQFBNSA-N 446.437 5.870 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1OC 9480082 QUWTZUIKMAMHDK-UHFFFAOYSA-N 442.972 5.141 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1O 9660243 RTPOXGDNAOTOOA-BRJLIKDPSA-N 447.447 5.580 30 40 IKEB Clc1cc(Cl)c(N/N=C/c2ccc(N3CCC(c4ccccc4)=N3)cc2)c(Cl)c1 12559969 AZDJSQYCASWBLT-VULFUBBASA-N 443.765 6.707 30 40 IKEB N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccccc3Br)o2)cc1 12808450 BYFXTCGPAMTNDW-UHFFFAOYSA-N 448.345 6.330 30 40 IKEB COc1ccccc1CN1Cc2cc3cc(C)c(C)cc3nc2S/C1=N/C[C@@H]1CCCO1 13562198 BSASZMQBWNRELJ-KQEYZTLISA-N 447.604 5.503 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463786 YXKSSQOPQMVAOY-CVKSISIWSA-N 443.528 6.761 30 40 IKEB CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 72289151 FAIVCJWTXBRNMK-UHFFFAOYSA-N 434.569 5.045 30 40 IKEB C(/C=C/c1ccccc1)=N/NC(=N/N=C/C=C/c1ccccc1)N/N=C\C=C\c1ccccc1 100930577 HZUAMPDDPCIIEZ-AOWZMILASA-N 446.558 5.619 30 40 IKEB N#Cc1cn(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c2ccccc12 226361959 SZVBUUVJJGQJEW-UHFFFAOYSA-N 436.221 5.132 30 40 IKEB Cn1c(N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)nc2ccccc21 408650564 FVTCHFPPKBPXAK-UVHMKAGCSA-N 448.357 6.329 30 40 IKEB O=[N+]([O-])c1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408733680 ZLVSIYGFDXXXFN-MWAVMZGNSA-N 443.506 7.470 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c(C)c1 408912350 PXKALZFLAMASIN-YJMTZZNISA-N 428.557 6.369 30 40 IKEB Cc1oc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(C#N)c1C 408949737 FYOXSGKXZRRYGK-OPEKNORGSA-N 443.728 6.514 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(F)cc3)N(CC)C2=O)cc1Cl 409011599 NUNYPWNTGPXYKF-IXJADQOWSA-N 432.948 6.280 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OC 409201421 MWZIOQUTGPCEKR-FYJGNVAPSA-N 437.277 5.014 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409211149 MZGGNIYNDVBPHQ-SRZZPIQSSA-N 441.696 5.577 30 40 IKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)SC1=Nc1ccccc1 409216742 LCHRXUZLAUJACK-JXJWTFEASA-N 445.544 5.416 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(C(F)(F)F)c1 409313419 PWDDWWFVUAQZLX-UHFFFAOYSA-N 438.247 5.013 30 40 IKEB N#Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccccc5)cc4C3=O)cc2)cc1 725810 AQMKLXSQQHTPPR-UHFFFAOYSA-N 432.435 5.943 30 40 IKEB COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccccc1C 2294002 CGGREFCLEAARCV-ZOODIOSSSA-N 437.564 7.403 30 40 IKEB N#C[C@@H]1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 4983045 TWDUEZCBTVNBEI-QUBLIXHFSA-N 437.542 6.600 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(C[C@H]2CCCO2)C1=O 8451742 SYSLHZGKUNLUIS-ZSINXLAGSA-N 442.968 5.522 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(OCc2ccccc2)cc1 9445144 MFSGMVZXTSGGOA-SDNWHVSQSA-N 449.333 7.729 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1 16267119 KFZFBUKCLKMSKN-BHGWPJFGSA-N 443.263 5.069 30 40 IKEB C=CCOc1c(Br)cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1OC 16605747 BDTPPUNEHVMTLT-SVIALIIXSA-N 434.418 5.861 30 40 IKEB N#Cc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)n2-c2ccccc2)cc1 20436120 DCPTYWVQPDIZPX-UHFFFAOYSA-N 426.589 5.899 30 40 IKEB FC(F)(F)c1cnc(Oc2ccc(/C=N/OCc3ccccc3Cl)cc2)c(Cl)c1 22996425 KDMYACSDZGPYCS-YPXUMCKCSA-N 441.236 6.750 30 40 IKEB CCN(CC)c1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)c(NC(C)=O)s2)cc1 32694296 BCBLXOUOZPQAGX-OYKKKHCWSA-N 441.988 5.714 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(CCOC)C1=O 33624141 GLMWMVMHVCLXCJ-DZNDYGJHSA-N 442.540 5.102 30 40 IKEB N#CCCn1cc(C(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 57373590 DZJQAODQUJZJTC-SFHVURJKSA-N 428.561 5.227 30 40 IKEB COc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 72334093 SAQSPBPPASJDJO-DHRITJCHSA-N 449.850 6.006 30 40 IKEB COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(O)c2/C(C)=N/c2ccccc2)cc1 104128822 WKNZYFPSUUJKKD-PCLIKHOPSA-N 428.448 5.302 30 40 IKEB COc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(/C=N\c2ccc([N+](=O)[O-])cc2OC)cc1 104209214 HFSFGVIBVDLEPX-GACBQCINSA-N 434.408 5.021 30 40 IKEB COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc1 408917594 YBZQKMZTGHFMLK-IVCURSBOSA-N 430.529 5.508 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OCC 408973474 SPPCGHWOZZPJNB-WJDWOHSUSA-N 448.828 5.099 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCc1ccccc1F 409081438 OFEFMWULTYDASE-JCMHNJIXSA-N 443.474 5.486 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 409203324 XDLAKXPUTSARFJ-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c1 409209174 GPTGCLNQOQXWKS-FSJBWODESA-N 425.828 6.316 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409217338 BMIDIWBDIZZRML-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504206197 HDTQUHRXMVKWMI-HAXSFJIPSA-N 442.728 8.638 30 40 IKEB CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 2789859 APCMPYHQNMBVTN-QPSGOUHRSA-N 433.267 5.299 30 40 IKEB O=C(Oc1ccc(/C=N/c2cccc(Cl)c2Cl)cc1)c1ccc(Br)cc1 3116421 RCLSKNIJTQAFRP-WYMPLXKRSA-N 449.131 6.726 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 6239690 RSPYGRYDGWNACG-QHCPKHFHSA-N 447.918 5.170 30 40 IKEB CCCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CC 8444087 UPIFDHKHXHBGTB-SANMLTNESA-N 432.564 6.028 30 40 IKEB O=C(C1=CN[C@@H](c2nc(-c3cccnc3)cs2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 8694233 ZUCDXCDTCAMUQB-XZOQPEGZSA-N 443.959 6.053 30 40 IKEB C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2sc(CC)cc2c1=O 9128572 ODEJKIAWHCFPRD-UHFFFAOYSA-N 444.969 5.202 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccc(OC)c1 9498676 RDFBKHBKFXEYQB-UHFFFAOYSA-N 441.556 5.782 30 40 IKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)o2)cc1Cl 12284811 SODJNMUBRYUUIM-VQHVLOKHSA-N 437.322 8.026 30 40 IKEB Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c(Br)c1 13503492 QDAMPMSORMIEAY-UHFFFAOYSA-N 440.366 5.525 30 40 IKEB C=CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccc(C)c1 13955925 MMXCMHHSPYZXCI-UHFFFAOYSA-N 440.572 5.897 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 18250735 AKKBVQSJPCVNPB-GKVSMKOHSA-N 432.520 5.808 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N\Nc3ccc(C(F)(F)F)cn3)c2)cc1C 33709451 WVPRBWAXUIWJPR-NVJOKUIPSA-N 442.441 5.181 30 40 IKEB COc1ccc(-c2c(-c3ccccc3)oc(/N=C/c3ccc(C)c([N+](=O)[O-])c3)c2C#N)cc1 59433143 KFWLVRQSDJCVCL-LQKURTRISA-N 437.455 6.461 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc12 97952912 PNJRESPOMHBQTP-UHFFFAOYSA-N 444.535 5.486 30 40 IKEB Cc1cc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c(C)c1 101651096 UHTGJRLKEMQTEK-RWUVGJFLSA-N 429.973 5.164 30 40 IKEB Cc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 102488880 LKMVSRQHPNWMJA-PGVNHDJNSA-N 444.512 5.441 30 40 IKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(/N=N/c2ccccc2)cc1 103449542 LLUDDHWESILQNA-ZHXADFCOSA-N 430.964 7.704 30 40 IKEB O=S1(=O)CS/C(=N/C(=S)N(c2ccccc2)c2ccccc2)N1c1ccccc1 104202007 WHFLLSDSNHZKAX-QURGRASLSA-N 439.587 5.006 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=N\OCCC#N 118927000 WIZOEYDUOXKTRB-QKSFVNRZSA-N 440.628 6.147 30 40 IKEB N#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408847396 UUTGHXXELVYRIZ-NDBUTJIBSA-N 435.524 5.665 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)S/C1=N/c1ccc(Cl)cc1 409086483 ZUFMJKMXJQPYPT-MKIITAJQSA-N 440.012 6.200 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c2C#N)C1 409088501 KDMZDQDAPAYNLO-OWGFIJSYSA-N 428.470 5.043 30 40 IKEB Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c(C)c1 409202653 SMCYNMSQSWEAPS-KKMKTNMSSA-N 448.828 7.427 30 40 IKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C\[C@](C)(O)C(C)(C)O 606512595 BPEQZNMKGFTMQE-DMWCAAETSA-N 428.657 5.871 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Br)C2=C(CC(C)(C)CC2=O)N1 823441 KJYBMQWDXCWJHZ-IBGZPJMESA-N 432.358 5.005 30 40 IKEB O=C(Nc1ccc(/N=C/C=C/c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl 2091567 RKVOIYPIDGWDSG-PICHSDEKSA-N 429.734 7.315 30 40 IKEB CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)cc1 8440806 POSXQJOKESEPML-QFIPXVFZSA-N 435.476 5.138 30 40 IKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8821122 UPCSTDJKISKAJQ-VCHYOVAHSA-N 443.843 5.539 30 40 IKEB CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2Cl)cc1 9307543 TUFPCBPLXUEIEL-UHFFFAOYSA-N 446.963 6.150 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 9359086 NFUIYLGWKYQGAO-IFMALSPDSA-N 439.939 5.221 30 40 IKEB Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2S[C@H](C)C#N)c1 9491213 VRYWTOXDDNYXSK-CQSZACIVSA-N 433.364 5.774 30 40 IKEB N#CCC[C@H](C#N)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 12558063 WVPXDRSKAKXGGJ-OAHLLOKOSA-N 432.940 5.605 30 40 IKEB CC(=O)N(c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1)c1c(C)cccc1C 12980725 UXKROIWEFVVRFK-CSKARUKUSA-N 445.371 6.647 30 40 IKEB CCC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O 13581926 FMMOZPPXADXNAA-NOTAPSAMSA-N 448.361 5.222 30 40 IKEB CN1CCc2nc(SCc3ccc(C(C)(C)C)cc3)c(C#N)c(-c3cccs3)c2C1 19855874 RZHGTLXCJADWAF-UHFFFAOYSA-N 433.646 6.259 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3cccc4ccccc34)c2C#N)C1 32124673 JZSZQICPRMVZAE-QGZVFWFLSA-N 434.630 6.655 30 40 IKEB COc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4cccc(C)c4C)n3)oc12 32808530 GPQIJOKWTGVQHC-VAWYXSNFSA-N 446.528 6.095 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2ccccc2S1(=O)=O 33271932 MFUVBYWVDQSJMM-UHFFFAOYSA-N 432.545 5.226 30 40 IKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(C)c1 50704707 LJJNGJGDZUVLPT-UHFFFAOYSA-N 438.619 7.931 30 40 IKEB C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCc1ccc(Cl)cc1Cl 108168888 KLIJGNJGCJHBIJ-UHFFFAOYSA-N 447.391 5.302 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc(Br)cc1)C2=O 245241400 CTGFFXZZHKKDLF-AXDQOVJNSA-N 441.453 7.444 30 40 IKEB Cc1nc(N)c(C#N)c(-c2cn(Cc3ccccc3C#N)c3ccccc23)c1-c1ccccc1 408981716 WGVDGWZNUBJZTQ-UHFFFAOYSA-N 439.522 6.053 30 40 IKEB C=CCn1c(C)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cc(C)ccc21 409029765 BEUBCPGOKLPKJM-JNNAGZRYSA-N 443.366 6.465 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccs2)cc1C(C)C 409297573 KXWYYMLTQRLQTC-UHFFFAOYSA-N 431.561 5.838 30 40 IKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409385499 MPQPWNKQENJVIT-GATIEOLUSA-N 447.387 6.790 30 40 IKEB CCCO[C@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C(=O)c1ccccc1)C(F)(F)F 670420946 DBUAPPJYRIGNCY-VXGBXAGGSA-N 430.238 5.362 30 40 IKEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc12 872637 BZGGQNOIIGKHTM-UHFFFAOYSA-N 435.858 5.818 30 40 IKEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 1431392 AKLNFTWAEIPCCY-QFIPXVFZSA-N 444.332 5.971 30 40 IKEB N#C[C@@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1 1675872 APFZSRPPJUQXLR-RPWUZVMVSA-N 431.333 5.498 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1O 2082966 VTQQBIKOGKYPLQ-GZAOZUBMSA-N 430.529 5.826 30 40 IKEB CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC 6078101 VTFLLRAXIIQIHX-AREMUKBSSA-N 448.563 5.647 30 40 IKEB C/C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1 8386410 FWOUWKBCWFJYME-OKCVXOCRSA-N 429.915 5.848 30 40 IKEB CCOC1=C/C(=C2/C=C(Nc3ccc(C)cc3)c3c(C)oc(C)c3C(OCC)=C2)C=CC1=O 8818238 NNOCUTKVNUYYES-MRCUWXFGSA-N 443.543 6.405 30 40 IKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)cc2)cc1 8820756 XNJUTVSOACWFLQ-IWIPYMOSSA-N 428.557 6.082 30 40 IKEB N#Cc1c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CCCC2 8832418 DEXBYDQLTNLIAM-SOFGYWHQSA-N 443.355 6.717 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 9019810 CELIVHCDEHZDQM-WCQPBMKCSA-N 431.561 5.483 30 40 IKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 9971263 RXJSTNSLRSRQDM-LRRRQAIWSA-N 440.543 6.631 30 40 IKEB CC(C)C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Oc2ccccc2)c1 12856300 BEFUWMVQNXRZDW-OLILMLBXSA-N 438.571 7.337 30 40 IKEB CCOC(=O)/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1 13476249 YXMGRHSZZFWEFN-RGEXLXHISA-N 425.278 5.539 30 40 IKEB COc1ccc(O)c(/C(CCCCCCCC/C(=N\O)c2cc(OC)ccc2O)=N/O)c1 16215177 BZKIPGUMZWNUNO-CDTUYSNOSA-N 444.528 5.293 30 40 IKEB CC1(C)[C@@H](C=C(Br)Br)[C@H]1O[C@@H](C#N)c1cnc2ccccc2c1 16577193 LAVBPVFCUCRKLJ-JLJPHGGASA-N 436.147 5.472 30 40 IKEB N#Cc1c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCCC2 17094685 BPHPQKVOMARHDV-UHFFFAOYSA-N 425.966 5.432 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(O)c1[C@H]2c1ccccc1 17242395 APLKEYLPLCHNJF-FQEVSTJZSA-N 443.572 5.675 30 40 IKEB N#Cc1ccccc1-c1ccc(COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1 23389454 JLRBEBDMBQTFDD-UHFFFAOYSA-N 432.694 5.520 30 40 IKEB CNc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccccc4Cl)nn32)cc1 32816938 UZPHVHRVKJFAAY-OAQYLSRUSA-N 433.943 5.298 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 59483116 AKCBLWWUFCPPPD-RPPGKUMJSA-N 442.733 6.956 30 40 IKEB CCCCCCCCCCCCCC(=O)Oc1ccc(/C=N/c2cccc(C#N)c2)c(O)c1 68603665 NBMTWXPJUFKPFV-JBASAIQMSA-N 448.607 7.621 30 40 IKEB CCCCCCCCN(CCCCCCCC)C[C@H](O)c1cc(Cl)c(Cl)cc1C 100691491 IYWUWJMCFIKXAN-VWLOTQADSA-N 444.531 8.358 30 40 IKEB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@H]12 102645279 DVJCYWWUKJRSJW-WJNSRDFLSA-N 444.600 6.200 30 40 IKEB CCN1/C(=C\C(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)c2c1ccc1ccccc21 103505795 UGWPQDNALZHHOC-QJOMJCCJSA-N 433.979 6.921 30 40 IKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224952787 DXOGCEBWBGAWKK-UHFFFAOYSA-N 429.925 5.522 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@H]5CC(=O)C[C@]5(C)CC[C@H]43)C2)cc1 253597588 IFADLLNZMJESQF-GLFFJJMUSA-N 444.637 5.681 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)cc1 409063138 HQHJNYUDIZBQIS-OPEKNORGSA-N 437.818 5.569 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl 409092343 UUDKBUGORYEZSP-GRSHGNNSSA-N 446.330 6.016 30 40 IKEB C=CCOc1ccc(/C=N/n2c([C@@H](C)CC)nc3ccc(Br)cc3c2=O)cc1 1531304581 KWNLNWCKMFISBS-BGHCKBSUSA-N 440.341 5.120 30 40 IKEB C=CCOc1ccccc1/C=N/n1c([C@@H](C)CC)nc2ccc(Br)cc2c1=O 1531337203 MSKHLJGRMJOOKH-BGHCKBSUSA-N 440.341 5.120 30 40 IKEB CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC 652732 BNXKWKMOTCPNTP-MHZLTWQESA-N 427.544 6.557 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 811244 DAQQPSMGULWCMY-CYFREDJKSA-N 435.951 5.653 30 40 IKEB O=C1C(Cl)=C(Oc2ccccc2Cl)C(=O)C(Cl)=C1Oc1ccccc1Cl 1614484 HXGHNHQAVKGOIQ-UHFFFAOYSA-N 430.070 5.504 30 40 IKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1F 2241431 WLWWRIHJERKYHR-UHFFFAOYSA-N 443.526 5.702 30 40 IKEB C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 2380450 ZBSSXSFLXRTPFG-QHCPKHFHSA-N 427.456 5.005 30 40 IKEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccccc3Br)ccc2C1=O 2393103 ZLUAQRIXKZVWQA-WQRHYEAKSA-N 441.302 5.654 30 40 IKEB Brc1ccc(-c2csc(N/N=C/c3cccc(Br)c3)n2)cc1 8426901 MZLYJDQTRITRKC-DJKKODMXSA-N 437.160 5.781 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)c2ccccc21 8993428 HIGJXBUSINTZNE-CVKSISIWSA-N 439.511 6.173 30 40 IKEB CCOC(=O)c1c(/N=C\c2cc(Br)cc(OC)c2O)sc2c1CCCC2 9846991 FPBONRSHIXGXQJ-FBHDLOMBSA-N 438.343 5.031 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 11999931 CGHBHSAZGGPRKE-UHFFFAOYSA-N 445.331 5.067 30 40 IKEB Cc1ccccc1-c1nnc(S)n1/N=C/c1ccc(-c2ccccc2Br)o1 12485549 UBKLOJJFDUTICO-WSDLNYQXSA-N 439.338 5.447 30 40 IKEB Cc1cc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)ccc1I 15226988 ADXKROZPYUNPKI-HYARGMPZSA-N 429.305 5.207 30 40 IKEB CCn1c2ccccc2c2cc(/C=C3\S/C(=N\c4cc(Cl)ccc4C)NC3=O)ccc21 16162845 GXNXSTHOACKAPQ-QRVIBDJDSA-N 445.975 6.668 30 40 IKEB CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)c(Cl)c2)N[C@H]1c1ccc(Cl)c(Cl)c1 19943873 FOUPCSKNFATMEY-RBUKOAKNSA-N 430.162 6.096 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3ccccc3SC)cc2-c2ccccc2S1(=O)=O 33271942 CRDSFSINGXCDHP-UHFFFAOYSA-N 436.558 5.023 30 40 IKEB C=CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Cl)cc1Cl 35419778 XHQKRJDBYZQLNB-UHFFFAOYSA-N 436.364 5.651 30 40 IKEB C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@@H]2[C@@H]1c1ccc(OC)cc1 40487523 KUDIFHJEAAEZSH-ZTSHFWPMSA-N 447.604 5.361 30 40 IKEB COc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1 59426329 ZVHZHXLMIGQCGU-WEMUVCOSSA-N 442.562 7.879 30 40 IKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 72305320 QBXBEBVLSQZLFW-LOSJGSFVSA-N 444.604 5.716 30 40 IKEB CCCCOC(=O)C(=O)[C@@H](C[C@@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C 102977265 ICLAEGNEUPSKPX-RPWUZVMVSA-N 448.559 5.036 30 40 IKEB Nc1nc(N)c(/C=N\c2ccc(Cl)c(Cl)c2)c(Nc2ccc(Cl)c(Cl)c2)n1 104079106 AAEQOPSKNYFFRG-VAPIAZESSA-N 442.137 5.749 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(C)cc3)S2)cc1 408899967 RYDULQSZXLGXTI-JCMHNJIXSA-N 428.513 5.414 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408907365 MMZVJPQBRMNDQU-GJHWIIEUSA-N 428.557 5.932 30 40 IKEB COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 408909692 HWHXIHGGSXSILY-GCXIQGEKSA-N 434.948 6.153 30 40 IKEB CCCCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccccc1 408960073 JAHGHGCFRCQLOU-VDJURDQESA-N 444.604 5.947 30 40 IKEB Fc1ccccc1Cn1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409042213 BVLSTIGUSGZXJY-HIUVJMHLSA-N 435.318 5.543 30 40 IKEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 409044463 CNQKKRSERDOGST-HZHRSRAPSA-N 429.497 5.097 30 40 IKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc2ccccc12 409083544 VGWTVGUFBLCOEK-UQQQWYQISA-N 449.506 6.162 30 40 IKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 409112169 FGRYJHACBZXZND-UHFFFAOYSA-N 435.995 7.221 30 40 IKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1cccc2ccccc12 409119737 QQGRCFBREQLAKF-UHFFFAOYSA-N 437.583 7.330 30 40 IKEB COc1ccc(Cl)cc1/N=C/c1cccc(OC)c1OCc1ccc(C(=O)O)cc1 409184792 NPTRFUJNARZWJG-DHRITJCHSA-N 425.868 5.385 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 409208628 CYSQQZUKFZKVIC-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 1413009 MJCMKTPAJJWGSN-WXTAPIANSA-N 428.601 7.025 30 40 IKEB Cc1ccc(OCCn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)c(C)c1 1864457 SORLOHRIGAWADB-JVWAILMASA-N 440.572 6.393 30 40 IKEB Cc1ccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)cc1 2375871 SZTFCTDUYIXVES-WKULSOCRSA-N 448.530 5.226 30 40 IKEB Clc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3o2)c(Cl)c1 3150278 AHYOQKRDCPFUJP-YCPBAFNGSA-N 445.689 6.934 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc2ncccc12 6136066 XHBNXJZTCBXPRU-JXAXBCJLSA-N 430.558 5.395 30 40 IKEB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 8809786 JAHNEERZSBIKFN-UNEYCWODSA-N 433.382 7.879 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 9264144 YFWSVQLVBLNGDU-SANMLTNESA-N 449.381 7.174 30 40 IKEB CCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(CC)cc3)S2)cc1 11690583 HOBDPAANGFGAPM-HXTHCWADSA-N 437.609 5.372 30 40 IKEB C=CCSc1nnc(N2C(=O)C[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)s1 12402394 RMTQCMXQADRKFZ-GFCCVEGCSA-N 431.608 5.041 30 40 IKEB CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S1 12995511 WGHRYNFGQFIOMY-NRFANRHFSA-N 431.561 5.213 30 40 IKEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)O2 16741243 JIORRJCEISULCP-UCQKPKSFSA-N 440.430 5.081 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SCCC(C)C)nc(=O)c32)s1 17121679 PDRVXBFJQMIYBD-GOSISDBHSA-N 443.638 5.479 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccc(Cl)cc1 20503275 SPHWAESSUMLAPL-VWLOTQADSA-N 447.922 5.552 30 40 IKEB CCSc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](C)CC1=O)N2 22608481 HJPHNCLWTQHFJK-HJPURHCSSA-N 446.576 5.237 30 40 IKEB O=C(O)c1ccccc1N/N=C\c1ccccc1OCc1ccc(Br)cc1 33889539 UTHZSAPTYAGCAN-QRVIBDJDSA-N 425.282 5.172 30 40 IKEB O=[N+]([O-])c1ccc2c(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)c(O)ccc2c1 100502407 KTNNCXFRXTVYMR-DHRITJCHSA-N 441.468 6.187 30 40 IKEB CCCCCCCCC[C@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 101029643 MEFGTSQMHVIFOC-DECKHEGHSA-N 435.696 7.996 30 40 IKEB O=[N+]([O-])c1ccccc1S/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21 103439544 BERAIAPJFXZBLH-ZBJSNUHESA-N 441.310 5.069 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 104086770 NXUKRGQBLOKKPD-JBCNATCCSA-N 448.316 5.384 30 40 IKEB CCNC(=S)N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 109041082 GSPFHENXPPSUQE-BRJLIKDPSA-N 432.376 5.544 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1 215154792 DEAZESDZZVBVLG-KEBDBYFISA-N 438.867 5.847 30 40 IKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3cc(Cl)cc(Cl)c3)cc2)cc1 408818989 WDIAZBDZVFLBIZ-MXAYSNPKSA-N 429.303 5.770 30 40 IKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 408973343 LVKSRBBFVDQHEI-KFLOGIKRSA-N 427.573 6.178 30 40 IKEB N#Cc1ccccc1Cn1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)c2ccccc21 408978781 KCHBJVKIIXEAQY-UHFFFAOYSA-N 425.495 5.744 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccco3)c2C(=O)Nc2ccc(Cl)cc2)C1 409083560 SWKBRAFWMVGMQR-IXORVSQSSA-N 440.996 7.148 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)cc1 409105365 NAXMJBCNEIFKJX-KKMKTNMSSA-N 430.430 5.131 30 40 IKEB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)c2C)c1 409243409 WEVJRBPNBPQMSB-UDWIEESQSA-N 436.968 5.651 30 40 IKEB CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1077205 RBQJCXIQDJZMJG-CCLHPLFOSA-N 426.585 6.696 30 40 IKEB COc1cc(/C=N/c2ccc(O)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 3095159 JOCSSSZHFPBWCB-DHRITJCHSA-N 437.904 6.239 30 40 IKEB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1 3250396 OHTHBAXIZZKYRX-KRWDZBQOSA-N 430.529 5.456 30 40 IKEB COc1c2c(cc3c1[C@H](CC(=O)/C(C)=C/[C@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 4028209 SSFGQCRZUFDDEM-ZKMZRDRYSA-N 425.569 5.241 30 40 IKEB biogenic FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 8717914 YITVXXLADOFRTC-RPPGKUMJSA-N 446.885 6.278 30 40 IKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(Br)cc1 8821169 CZVVHGKSZZRQDH-ZROIWOOFSA-N 427.245 5.360 30 40 IKEB CN(C)c1ccc(C(=NC(=O)c2cccc(OC(F)F)c2)c2ccc(N(C)C)cc2)cc1 9139381 PVDMQVBWQQBBKX-UHFFFAOYSA-N 437.490 5.098 30 40 IKEB CCOc1c(Br)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9195261 MUJHMOMPJWPSOK-ZVBGSRNCSA-N 432.145 5.287 30 40 IKEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(C)cc1 9197373 HRHYPSZYEFKUSC-MZJWZYIUSA-N 443.374 6.403 30 40 IKEB Cc1cc(C)c2c(c1)/C(=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)CCC2 12311556 RUJLNBFWTAAFHG-YZSQISJMSA-N 425.907 6.003 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(N2CCCCC2)cc1 12602255 LGCPWEPBLZUWIX-QGOAFFKASA-N 432.376 5.875 30 40 IKEB Cc1ccc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 13575571 OQZASONRRBHPCD-OYUWMTPXSA-N 429.523 5.588 30 40 IKEB C/C(=N\Nc1ncc(-c2cc3c(ccc4ccccc43)oc2=O)s1)c1ccc(Cl)cc1 13942141 JULWBBFUKLUOSS-MZJWZYIUSA-N 445.931 6.559 30 40 IKEB COc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)ccc1O 14945033 JKLRFBUYGVZHII-XHCCPWGMSA-N 448.522 5.907 30 40 IKEB Cc1c(/N=C/c2ccc(C(=O)/C=C/c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 15634593 VKTUMLBKUFPGRW-ZUUNFTTNSA-N 445.906 5.378 30 40 IKEB C/C(=N\n1c(COc2cc(C)ccc2C(C)C)nc2ccccc2c1=O)c1ccc(N)cc1 16291134 QAVDOSNHUDWOPS-NDZAJKAJSA-N 440.547 5.262 30 40 IKEB COc1ccc(N/C(=N\C(=N/C(=O)c2ccccc2)c2ccccc2)c2ccccc2)cc1 18007875 QNWKNRVCSHLFQA-UHFFFAOYSA-N 433.511 5.841 30 40 IKEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccc(Cl)c(Cl)c1 27027289 XDGHRPCNUIKYAO-UHFFFAOYSA-N 434.774 6.012 30 40 IKEB O=C(/C=C/c1cccs1)c1ccc(N2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 33414735 QEYDNFYAOCVJDX-PKNBQFBNSA-N 446.528 5.652 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)cc1 97959767 YZMMWNLFMLYJHN-MOHJPFBDSA-N 436.621 6.934 30 40 IKEB Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 100138465 IAYIEHOUNBKVNE-RUMWWMSVSA-N 446.981 8.524 30 40 IKEB O=C(CSc1nnc(-c2ccc(/N=C/c3ccc(Cl)cc3)cc2)o1)Nc1ccccc1 104299800 OTJMMQITYHDSEI-AFUMVMLFSA-N 448.935 5.871 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 118916154 ANTLLZHQDMIOLB-IXSDIWIJSA-N 447.446 6.959 30 40 IKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N 225752553 DIMQVUUMJPOTHP-UHFFFAOYSA-N 431.363 6.350 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1OC 408527175 BDHWZERSBDOHBQ-BOPFTXTBSA-N 447.354 5.056 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4C)NC3=O)c2C)cc1 408739575 XXNZHQRBHCJASD-XKZIYDEJSA-N 435.980 6.256 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 408874992 HAOSJDPEHRWCNR-YVLHZVERSA-N 433.291 6.284 30 40 IKEB COc1ccc(/C=N\c2sc3c(c2C#N)CCCC3)cc1Oc1nc(Cl)ncc1F 409063786 NHSLCJXCABCUDI-MRUKODCESA-N 442.903 5.633 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCC 409071021 PSXNBQPHVZPQIJ-AUEPDCJTSA-N 431.798 5.510 30 40 IKEB CC(=O)Oc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385241 UBGJJODYHBVONJ-OGLMXYFKSA-N 433.467 5.024 30 40 IKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2sccc2C)[C@H]3c2ccccc2)cc1 3133479 CKXIMKVRRMPBQZ-FGSNJIQSSA-N 438.548 7.269 30 40 IKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/NCc2c(Cl)cccc2Cl)cc1 9196878 JKEGKOZWYGOFCZ-RPPGKUMJSA-N 433.766 6.658 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)c1 13015041 NMGKZXVLLWHTHJ-FSJBWODESA-N 435.530 6.268 30 40 IKEB COc1cc(OC)c(NC(=O)O/N=C(/c2ccccc2)[C@@H](O)c2ccccc2)cc1Cl 17109493 ATRLTKZSJCYHPY-UPMFUBJASA-N 440.883 5.044 30 40 IKEB CC[C@@]1(C)Cc2ccccc2-c2nc(N/N=C/c3ccccc3)n(Cc3ccccc3)c(=O)c21 26895797 VGMVHAIFVLXYMA-TYNQNBCQSA-N 448.570 5.628 30 40 IKEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SCc2ccccc2)cc1 32828842 JFJZDFCBSSSARC-JOCHJYFZSA-N 445.569 5.269 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)o1 33301482 IVOXHDWCMVAVOS-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB N=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[C@@H]1c1nccs1 33370705 SNIYITLQLFPRSF-JKHCLMFGSA-N 431.882 5.383 30 40 IKEB C=C(C)CSc1nnc(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1 39976026 ARYUMAQZFJAVMX-LJQANCHMSA-N 441.647 5.399 30 40 IKEB CCCCCCCCCCCCN1CCCN(CCCCCCCCCCCC)CC1 104181671 IOSLBCRXMOCGLT-UHFFFAOYSA-N 436.813 8.836 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\C=C/c1ccccc1 104376692 HYPWGBILDBPVEG-DDLVWHPWSA-N 429.718 7.631 30 40 IKEB CCOc1ccc(/C=C2/C[C@H](C)C/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC 245309126 BJDCCWRIZUGCMN-SNLUFJLXSA-N 436.548 5.967 30 40 IKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(-c2ccccc2)cc1 408740030 HWHPACQTVKKCIM-UXHLAJHPSA-N 435.596 7.324 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CC 408915620 ZAJPUJFKLBFOIL-AJGXWLHTSA-N 442.584 6.452 30 40 IKEB Cc1ccc(NC(=O)c2c(/N=C3\C(=O)N(C)c4ccccc43)sc3c2CCCC3)cc1 409121816 WQAUHELHRUWSTR-QYQHSDTDSA-N 429.545 5.285 30 40 IKEB COc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 409213982 VUCXVIMGUIOGIK-JVWAILMASA-N 446.344 6.941 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)S2)cc1 409239794 QLZUDFHOIBEEDY-BUVRLJJBSA-N 441.531 6.029 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OCC 409344612 HNXHBJMUCYWDKZ-DEDYPNTBSA-N 443.615 5.778 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 1531382575 RSKPMQDBCJPZMB-OVKKOYPGSA-N 427.504 5.132 30 40 IKEB CCCCCCNC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc12 2249179 VTQDLKZGQKBMQL-RWPZCVJISA-N 448.958 5.012 30 40 IKEB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F 2317871 OHNRAPDMFWAIHH-UHFFFAOYSA-N 427.703 5.342 30 40 IKEB O=C1SC[C@@H](Cc2ccccc2)N1C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F 2396084 PYZXFBJYZYNMCU-SECBINFHSA-N 435.311 5.502 30 40 IKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(OCc5ccccc5)cc4)cc3)sc2c1 2821075 ZUWXIKJOOKNKBZ-RDRPBHBLSA-N 434.564 7.601 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 3978652 FVWJYYTZTCVBKE-GLDRGLGUSA-N 442.728 6.997 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 8439966 QOVPCICKTARHON-XMMPIXPASA-N 427.500 5.254 30 40 IKEB Cc1cccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)c1 8782141 WHSXIYYTOJLSJB-VULFUBBASA-N 435.980 6.454 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(C#N)cc1 9197122 IQSXORVBJSFBEQ-UVHMKAGCSA-N 440.330 5.576 30 40 IKEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1O 9554139 SAVWUDZQPJJYQN-AREMUKBSSA-N 440.499 5.222 30 40 IKEB Cc1cc(C2=CSC(=C3C=CC(=NC(=O)c4ccco4)C=C3)N2)c(C)n1C[C@H]1CCCO1 12693137 XSQBKRJUWPOFGY-HXUWFJFHSA-N 447.560 5.131 30 40 IKEB CSc1nc(NCCOC(=O)C(C)(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 15831986 SNRRGCYDJHJCBM-UHFFFAOYSA-N 426.586 5.036 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c2ccccc21 28182828 KNZBUASZAPIDPL-ZMFRSBBQSA-N 446.591 6.097 30 40 IKEB C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C 33831156 XJLZCPIILZRCPS-CKCUNPICSA-N 440.756 8.725 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@@H]2c1cccc(Cl)c1 44858728 MKCBYXVUQQJDHM-JOCHJYFZSA-N 446.938 5.447 30 40 IKEB Cc1ccc(/N=c2/scc(-c3ccc(Cl)cc3)n2/N=C/c2ccccc2C)cc1C 102960618 VPJGHFKGUAAJEV-HMFCGGGJSA-N 431.992 6.910 30 40 IKEB O=C1CCCC2=C1C(c1ccc(-c3cc(Cl)ccc3Cl)o1)C1=C(CCCC1=O)N2 408603125 QFBJDLAYVWLHTJ-UHFFFAOYSA-N 428.315 5.954 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc3ccccc23)NC1=O 408820593 XBVYJMLANQANLW-UQQQWYQISA-N 434.520 5.897 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)S2)cc1 408964737 RTYJIQDAJSBDPY-HYARGMPZSA-N 434.492 5.305 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccccc2)cc1 408966530 OZYAGKSRVSWVMG-CPNJWEJPSA-N 425.340 6.552 30 40 IKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O 409216072 HSQINTMJIHVKPS-UHFFFAOYSA-N 432.391 6.309 30 40 IKEB COc1cccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1O[C@@H](C)C(=O)O 409240913 VKKBHJUCJGOWET-CAUYNWHBSA-N 425.868 5.743 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(C)[nH]c4ccccc34)cc12 409294817 MYWSKQHUPIDKMM-UHFFFAOYSA-N 448.482 5.490 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2264658 JBSDJVRSHMSCCL-UHFFFAOYSA-N 429.568 5.473 30 40 IKEB N#Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)sc2c1CCCC2 2415881 CFSKKUUAOMDHJV-UHFFFAOYSA-N 426.497 5.524 30 40 IKEB COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1ccc(C(C)C)cc1 2791483 HKGGELAWVCUKHX-BRJLIKDPSA-N 446.523 5.531 30 40 IKEB Clc1ccc(CO/N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 3873296 QRJJEGAJXVEBNE-MOHJPFBDSA-N 429.134 6.118 30 40 IKEB fda O=C(CCCC(=O)O/C(=N/C1CCCCC1)NC1CCCCC1)OCc1ccccc1 6864204 VFDBQYUIDOZQED-UHFFFAOYSA-N 428.573 5.054 30 40 IKEB in-vitro COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1CSc1nc2ccccc2s1 9065266 PWZIBQSESXXLPX-WUXMJOGZSA-N 433.554 6.199 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(Cl)c1 9850168 ARGFITARBFZFAY-DJUDNFEDSA-N 434.348 5.140 30 40 IKEB Clc1ccc(CON=C(CSc2ccccc2)CSc2ccccc2)cc1Cl 12960452 KRGDETYZOJIKCM-UHFFFAOYSA-N 448.440 7.451 30 40 IKEB COc1ccc(/N=C/C=C(/Nc2ccc(OC)cc2)c2ccc(Cl)c(Cl)c2)cc1 16216888 PTCCZEJMFFWAMS-OHQCDDMMSA-N 427.331 6.866 30 40 IKEB COc1ccc(/C=N\c2ccc(Oc3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 17995137 SSNRMSCFXPROTC-GOLAWLNDSA-N 436.511 6.997 30 40 IKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@]1(C)O 22000069 CWFZYRNMMPHAIS-AXGCBIPSSA-N 426.641 5.481 30 40 IKEB O=C(O)[C@H]1CC(=O)N(CCC23CC4CC(CC(C4)C2)C3)/C(=N\c2ccc(Cl)cc2)S1 100815710 HLPZEZRNGAXCJH-VJJQSWNZSA-N 447.000 5.353 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 102804588 FLFRERCQPCCDRT-MRJHHRETSA-N 444.512 5.386 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 408673550 SVTCDHGMMJKDGZ-DHIUTWEWSA-N 426.601 6.226 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C(C)C)cc1)c1ccc(C)cc1 408974015 UOEDHGMEQQQKQC-YTSBWPFGSA-N 425.576 5.886 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409081786 QGDCIWHGEIJCOE-SRZZPIQSSA-N 442.771 5.608 30 40 IKEB Cc1cccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)c1C 409208540 CSPHXEPFKZCTQD-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1097818 PHBSIRLDUCKWOM-XMMPIXPASA-N 426.516 5.292 30 40 IKEB N#CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2207974 XWKNYQBLKSQUIU-UHFFFAOYSA-N 427.573 5.332 30 40 IKEB CCCCCCCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2227104 YJIORNIBJRKATO-UHFFFAOYSA-N 448.611 6.883 30 40 IKEB N#CCCN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 3320348 MITQHNZVFMYBOV-UHFFFAOYSA-N 445.573 5.035 30 40 IKEB CCOC(=O)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2C[C@@H]1C 12524551 RBZDMPNHKBUYND-DHIBRUPHSA-N 425.838 5.099 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C(\c2ccc3ccccc3c2)c2ccccc2F)c([N+](=O)[O-])c1 17378976 QCCOHKTWKGLEBJ-WNAAXNPUSA-N 430.395 5.660 30 40 IKEB CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccnc2)cc1 18198746 SABLQFQNCHYDFP-DEOSSOPVSA-N 426.516 5.516 30 40 IKEB N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2ccc(-c4cc5ccccc5s4)c(=O)n2C3)c1 20503201 BPYQBMWTULDTHV-RBBKRZOGSA-N 437.568 5.221 30 40 IKEB biogenic,in-vitro O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O 32114810 VXUAEDHNIHMZIK-PGGKNCGUSA-N 429.766 5.791 30 40 IKEB O=C(CO/N=C\c1ccccc1OCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 35103666 STMNPECSXRYTMV-MXAYSNPKSA-N 429.303 5.562 30 40 IKEB CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1 44859018 BGSVWTIYZFRPOW-DEOSSOPVSA-N 426.520 5.028 30 40 IKEB C=CCN(CC=C)[C@H]1c2cc(-c3ccccc3)cnc2Sc2nc(-c3cccnc3)nn21 72396305 MSWDMJHSYMREJP-XMMPIXPASA-N 438.560 5.088 30 40 IKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)cc1 98001409 OSFPJVKJLVNUCE-UHFFFAOYSA-N 445.401 6.781 30 40 IKEB biogenic COc1cc(N/C=C/C(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc(OC)c1OC 100331460 ZFVFPFCJROGTFS-VAWYXSNFSA-N 444.487 5.638 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccc([N+](=O)[O-])o3)c(C#N)c2-c2ccc(OC)cc2)cc1 197561234 IWMKIEHJTLGUJW-VULFUBBASA-N 443.415 5.754 30 40 IKEB COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O 408875836 LSLGYPKGWOLNMY-PVSWKLMISA-N 440.996 6.531 30 40 IKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccc(OC(F)F)cc3)sc3c2CCCC3)cc1 409175848 VSQGLNLGTOTNOO-MZJWZYIUSA-N 440.515 6.540 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 409207837 BBEVLBVBBONYTC-FSJBWODESA-N 425.828 6.316 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1Cl 409215245 VZHATCYISHZDMC-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1O[C@H](C)CC 409215591 BXWKEXQPXQGUTE-BKAKLYHYSA-N 438.637 7.097 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409282615 PFZSFIQFKWKIFV-UHFFFAOYSA-N 442.475 5.495 30 40 IKEB CCOc1cc(/C=N\N2C(=O)CSC2=S)ccc1OCc1cccc2ccccc12 409328682 ZUTRDRCJQVIVAL-CFRMEGHHSA-N 436.558 5.012 30 40 IKEB COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 1409136 JQTIPGOKXZTPEI-HFJWLAOPSA-N 430.935 6.328 30 40 IKEB O=C1C=C(c2[nH]c3ccccc3c2C2=CC(=O)c3ccccc3C2=O)C(=O)c2ccccc21 1618578 BHGBQAOUNJGRMI-UHFFFAOYSA-N 429.431 5.093 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 2807305 YVSUAAIWHCGNFG-LMTJQJACSA-N 444.556 6.129 30 40 IKEB CCCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 5340141 MWCIXJJFNQCNSU-YYDJUVGSSA-N 432.480 6.567 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1O 6600351 RYHYKWNHYLVRBJ-WYMPLXKRSA-N 433.420 5.272 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)s1 8396174 MHLVNAVXAAAOCB-BOPFTXTBSA-N 446.981 6.583 30 40 IKEB CCCCCCCCCCCCCCCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C 8398389 FCBXCISVXVKAIE-UHFFFAOYSA-N 436.666 5.627 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)NC1CCCCC1 8826756 CMMCSSRRBUPWFC-ZMOGYAJESA-N 444.025 6.241 30 40 IKEB COc1ccccc1/C=C/C=C(/C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1 9051004 YQEMXUADESEJHZ-UXZDSFPZSA-N 441.483 5.833 30 40 IKEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C 9196533 VNQRPXCICJYUHY-LGJNPRDNSA-N 444.362 5.701 30 40 IKEB CC[C@@H](Sc1nc2ccccc2n1C(C)=O)C(=O)Nc1sc2c(c1C#N)CCCC2 9971561 NXLFEMSJJVDVJP-GOSISDBHSA-N 438.578 5.018 30 40 IKEB Cc1ccc2nc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3Cl)oc2c1 14920399 ZAORODYIESUYKA-YSURURNPSA-N 442.258 6.474 30 40 IKEB COc1ccc(/C=C/c2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1OC 16768438 YYASXHGWZBRWBC-PKNBQFBNSA-N 429.520 5.193 30 40 IKEB COc1ccc(C(=O)[C@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN32)cc1 19816560 YMCXLLPIHSKVQS-ARNLJNQMSA-N 437.524 5.167 30 40 IKEB CCCCOC(=O)C(=O)[C@H](C[C@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C 102977263 ICLAEGNEUPSKPX-BJKOFHAPSA-N 448.559 5.036 30 40 IKEB Clc1ccc(/C=N\CCCCCC/N=C\c2ccc(Cl)c(Cl)c2)cc1Cl 104063628 PKMQIKOITVWFIY-WFBNZKAHSA-N 430.206 7.399 30 40 IKEB COc1ccccc1[C@H]1/C(=C(\O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccc(F)cc1 104134871 HIBCPDDLSNBMJZ-MRJHHRETSA-N 437.854 5.114 30 40 IKEB CCCCCCC[C@@H](/C=C/CCCCCCCC(=O)OCCCCC)S(=O)(=O)O 299888652 RRUXVNIIXRLORS-SIWPHUPXSA-N 432.667 6.624 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 408864603 XHPVTLQLVTWJSR-SZLYMPMWSA-N 426.969 6.228 30 40 IKEB O/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 409056257 LIZLKFMBVKMTRE-UFFVCSGVSA-N 435.115 5.752 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3c(OCC#N)ccc4ccccc34)c2C#N)C1 409083899 WLNAQURZTNQAIX-DSWROXKMSA-N 427.573 6.577 30 40 IKEB COc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c2C)cc1 409216107 DZKKWVXLAOPKGG-WSKALFDJSA-N 445.632 6.938 30 40 IKEB O=C(Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1)c1ccc(F)cc1 805976 RNCALSJFLYVAHX-BHGWPJFGSA-N 447.691 5.950 30 40 IKEB O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)cc1Cl 3063916 BNXQEUQTLCCECS-QLYXXIJNSA-N 445.733 6.115 30 40 IKEB Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2)c1Oc1cccc(C(F)(F)F)c1 3134450 GXAGIDGJXMURQH-UHFFFAOYSA-N 447.310 5.641 30 40 IKEB N#Cc1c(SCC(=O)Nc2ccc(F)cc2)nc2c(c1C(F)(F)F)CCCCCC2 8451259 MTZVYYZKMXLUCO-UHFFFAOYSA-N 437.462 5.501 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)c1cccs1 9210057 XRFOLUPJUCVGEX-YVLHZVERSA-N 427.275 5.346 30 40 IKEB N#CCCN(Cc1ccco1)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 9257435 JAGHCMUIRDFKPT-UHFFFAOYSA-N 443.528 5.636 30 40 IKEB COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 9379858 ALMHUHLBSFVWIG-JOCHJYFZSA-N 449.890 5.140 30 40 IKEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2cc(C(C)C)ccc2C)c1 13109514 WIOJIPKSNHBZDF-UHFFFAOYSA-N 449.572 5.719 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 19798394 CBUBAZFLWZEAAB-DEOSSOPVSA-N 449.978 5.730 30 40 IKEB O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 33854394 GUSXMQOYSGXSHA-OQYWKCLKSA-N 432.234 6.729 30 40 IKEB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N(C)[C@H](C)CC#N)c2c1C 78968158 CBAHUCMWDROIAQ-CQSZACIVSA-N 440.594 5.207 30 40 IKEB CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O 97952065 ZKBHILFELSRYMU-QFIPXVFZSA-N 430.589 5.006 30 40 IKEB CCCCCCCC(=O)Nc1ccc(C(=O)OC2CCCCCCCCCCC2)cc1 98001345 SFLOWAKRMJXDBT-UHFFFAOYSA-N 429.645 7.816 30 40 IKEB CCCCCCCCC1(CCCCCCCC)N=C(c2ccccc2)C(OC)(OC)N1[O] 104774591 DGFFKTDJABPCRD-UHFFFAOYSA-N 445.668 7.281 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OCC)c1OC 214184059 UINQMTUIKZHIIM-DEDYPNTBSA-N 443.952 5.712 30 40 IKEB C=CCC(C(=O)Nc1ccc(OCC(=O)OCC)cc1)(c1ccccc1)c1ccccc1 225935521 JSUQFCBABGUXOT-UHFFFAOYSA-N 429.516 5.129 30 40 IKEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226334132 PSFSDRBLHKZSDA-VMPITWQZSA-N 440.120 5.525 30 40 IKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c(C)c1 408772599 DHSWEKWSBOBBHS-QRVIBDJDSA-N 428.317 6.066 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1ccc(C)cc1 408906356 IPKVPARRUBAXNX-FTIPTLOASA-N 431.355 5.390 30 40 IKEB CCN(CC)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 408914909 ZRNZARNGGPQQJQ-BUVRLJJBSA-N 443.410 7.099 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1C1CCCCC1 408915429 YHZIUZMOYBZLAH-FTJNEJEMSA-N 435.549 6.094 30 40 IKEB CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccccc1 408955096 WCMJGJUXKPOQTF-GPHIBNKYSA-N 442.132 5.038 30 40 IKEB CCOc1cc2c(cc1/C=C1/SC(=Nc3cccc(Cl)c3Cl)NC1=O)OCO2 408967286 UJVIZZUWRVHSKY-FRKPEAEDSA-N 437.304 5.012 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(N=C3C(=O)Nc4ccc(Br)cc43)c2C#N)C1 409134385 PAYDQAIBIRNDCS-NSHDSACASA-N 442.382 5.606 30 40 IKEB Cc1ccc(Cl)cc1/N=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409213207 PBQMBPISYFPQEE-ZRGSRPPYSA-N 434.801 7.118 30 40 IKEB CC[C@H](C)Oc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 1531384513 IFYTUZGMMWGJOT-GNYKCMPYSA-N 442.475 5.031 30 40 IKEB CC(C)(C)c1cc(C2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O 1807248 VAUMYTNIJZYMAZ-UHFFFAOYSA-N 445.603 6.263 30 40 IKEB COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C 2125556 BAQGGTWHWFIMHJ-LMTJQJACSA-N 428.557 5.676 30 40 IKEB Oc1cc(/N=C/c2cc(Br)cc(Cl)c2O)ccc1-c1nc2ccccc2o1 3079549 UNKUQRZSKPRJFM-AUEPDCJTSA-N 443.684 6.073 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 8935003 MEULEEHJVMPQMI-YSURURNPSA-N 445.675 6.506 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1 9461025 FXHGIRNXNZEHNV-OAQYLSRUSA-N 444.512 5.796 30 40 IKEB Clc1cc(Cl)c(N/N=C/c2ccccc2I)c(Cl)c1 12652778 OFUFXVWSMZMEDJ-CNHKJKLMSA-N 425.484 5.697 30 40 IKEB CC[C@@H]1CS/C(=N\c2ccccc2)N1C(=O)c1ccccc1OCc1ccccc1C 13146091 IIGXAWNSQXYINQ-BDCRVHBXSA-N 430.573 6.229 30 40 IKEB CCC(=O)Oc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1OC 13564280 IDZWMOJSYYQDJD-VWLOTQADSA-N 427.500 5.728 30 40 IKEB CCc1ccc(N2C(=O)C[C@H](c3cc(OC)ccc3OC)C3=C2CC(C)(C)CC3=O)cc1 13567836 UCXAJPIJWBABGE-OAQYLSRUSA-N 433.548 5.430 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 13598308 CDXXXPXFENUARQ-UKAZCEGMSA-N 433.552 6.003 30 40 IKEB N#Cc1nc(-c2ccc(COc3ccc(Br)cc3)o2)oc1N1CCCCCC1 33324482 AIRSHBWWRNTJAH-UHFFFAOYSA-N 442.313 5.528 30 40 IKEB Cc1cccc(Cn2c(C)c(/C=C3\SC(=N)[C@@H](c4nccs4)C3=O)c3ccccc32)c1 35132548 XONUIYXPPCBQFA-FJNOFKGGSA-N 443.597 6.181 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N/c4ccc(C)cc4)NC3=O)o2)cc1 83262572 JLYUOWYIFGZUEL-STZFKDTASA-N 432.501 5.323 30 40 IKEB CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1Cl 100496798 BISOAEKHCGVFAS-FFRBQNJWSA-N 442.009 6.280 30 40 IKEB CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)O/C1=N\c1ccc2sc(C)nc2c1 100509374 LZNSUMQSYKWBQC-WQTMBXTHSA-N 444.560 5.544 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C)[C@@H](O)C[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118930125 AJBZENLMTKDAEK-VHGFNKRRSA-N 442.728 6.996 30 40 IKEB C=CCOC(=O)c1cc(Br)c(OCc2ccc(F)cc2Cl)c(OCC)c1 216830568 LMRCOIVAHDWZNP-UHFFFAOYSA-N 443.696 5.562 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2c(C)cccc2CC)cc1)S(=O)(=O)c1ccccc1 224373947 QOSLQOXNKYDXPT-UHFFFAOYSA-N 434.561 5.191 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1-c1ccccc1)C2=O 252496816 PSHMDRHQJHJFAC-NHTUJZCISA-N 442.603 5.758 30 40 IKEB Cc1ccc(COc2c(Cl)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 408589686 FLPBZYIBZZNXBC-BRJLIKDPSA-N 445.302 6.340 30 40 IKEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(Br)cc1 408748309 BQPMNWUPZDHJBF-VGOFMYFVSA-N 428.138 5.648 30 40 IKEB C=CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 408897715 NWNSAFGJXCWBRQ-UHFFFAOYSA-N 439.983 5.878 30 40 IKEB CCOc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(F)cc1 408932582 XSCCKUPBONWHGW-MUXKCCDJSA-N 432.417 6.268 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)SC1=Nc1ccccc1 408960729 IDXLGXNPFVMMNN-JXJWTFEASA-N 446.528 5.967 30 40 IKEB Fc1ccc(COc2ccc3ccccc3c2/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409067723 QYCFPEADTVDIKT-AMVVHIIESA-N 439.412 6.418 30 40 IKEB COc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(Cc3ccccc3)C1=O)OCO2 409105709 NYTCDCBADJNMBX-WCWWUIGKSA-N 444.512 5.228 30 40 IKEB O=C1/C(=C\c2ccccc2OC(F)F)S/C(=N/c2ccccc2)N1C1CCCCC1 409173880 KYHBGDUFKIGTDI-ZNURURQISA-N 428.504 6.225 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 409213856 UYGFYAAAYJWBET-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c(OC)c1OC 2417368 HPGLSDJQVRZFIM-UUYOSTAYSA-N 436.435 5.047 30 40 IKEB CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 4062229 RPJYQERFYOCLIV-UZTOHYMASA-N 444.962 6.718 30 40 IKEB CSC(=Nc1nc2cc3sc(N=C(SC)SC)nc3cc2s1)SC 4293385 STTSKOPWVBXZNW-UHFFFAOYSA-N 430.696 6.333 30 40 IKEB biogenic CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc([C@@H](C)CC)cc1 6821443 UYPHKGGUTMMQFG-JZCUADNKSA-N 434.005 5.129 30 40 IKEB O=C(/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2o1)c1ccccc1 8915588 MVRKMJGXXJAUJI-LTGZKZEYSA-N 436.423 6.420 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(Br)c1)OCO3 12349572 BKRIASRLTWHDJO-FQEVSTJZSA-N 426.310 5.378 30 40 IKEB C/C(=N\c1ccc(/N=C(\C)c2cc3ccccc3oc2=O)cc1)c1cc2ccccc2oc1=O 16137281 FTPPLPNIQJGURD-YAGSLNJISA-N 448.478 6.181 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3Cl)c2C#N)C1 32124876 JIIVZYUDZPXBKM-ZDUSSCGKSA-N 430.957 5.220 30 40 IKEB O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1Br 33482586 HZAKVIILYGATAY-VURMDHGXSA-N 442.294 5.195 30 40 IKEB Cc1ccc2cc(/C=N/Nc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)c(=O)[nH]c2c1 58161129 DNVKMLKQSUHMCX-MZJWZYIUSA-N 439.906 5.546 30 40 IKEB Cc1ccc(-c2cc(/N=C/c3c4ccccc4cc4ccccc34)n(-c3ccccc3)n2)cc1 59385262 FNMUWAZQHKEMMJ-RUMWWMSVSA-N 437.546 7.905 30 40 IKEB COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O 59463674 CYHFEMNSZRPGDL-ZVHZXABRSA-N 431.473 5.850 30 40 IKEB COc1cccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccc(Cl)cc2)c1OC 95945863 IARRXRQXWZXMSG-DTQAZKPQSA-N 443.930 6.777 30 40 IKEB CN(C)c1ccc(/C=N/c2ccc3nc(SCC(C)(C)C)sc3c2)cc1[N+](=O)[O-] 100252128 WHFPBBNWCZSSJQ-WSDLNYQXSA-N 428.583 6.159 30 40 IKEB O=C1/C(=N/Nc2ccccc2Cl)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 100327068 JIXACJSDUOSTKW-LHLOQNFPSA-N 430.722 6.010 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 207336159 NIWZUFQUYCBEGF-PIINERKHSA-N 437.568 6.604 30 40 IKEB C=CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 225342671 MOYOCCNCTPOHBI-UHFFFAOYSA-N 427.422 5.778 30 40 IKEB CCCCCCC[C@H](/C=C/CCCCCCCC(=O)OCCCCC)S(=O)(=O)O 299888651 RRUXVNIIXRLORS-JIKIWWBOSA-N 432.667 6.624 30 40 IKEB COc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1OCc1ccccc1 408890790 ZHWJJISHPLNOOB-JCMHNJIXSA-N 430.529 5.474 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC 408937302 ISFLKLJBVLNBIC-BZKNYGTMSA-N 438.571 6.979 30 40 IKEB CCOc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1OCc1cc(OC)ccc1OC 408993728 XGPZTCKZTIKVMC-UHFFFAOYSA-N 438.520 5.023 30 40 IKEB Cc1ccc(-n2cccc2/C=N\c2ccc(I)cc2C)cc1Cl 409021063 XJYSSILIOUMYBC-UUYOSTAYSA-N 434.708 6.103 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c1 409211289 MUSDBBUHINERGY-DHRITJCHSA-N 438.321 6.094 30 40 IKEB Cc1ccc(-n2cccc2C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409296287 QIHDEFFORIGDBM-UHFFFAOYSA-N 444.494 5.791 30 40 IKEB Cc1ccc(-c2ccc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1Cl 409402280 DQHLEPXSIRXYHC-UHFFFAOYSA-N 439.902 6.168 30 40 IKEB O=C1C2=C(NC(SCc3cnc(Cl)s3)=N[C@H]2c2ccccc2F)c2ccccc21 1406991 PHTZGMYJYIDWCB-SFHVURJKSA-N 441.940 5.477 30 40 IKEB O=C(/C=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccc2)cc1 2380076 NLVUVQWIHDMUQA-BUHFOSPRSA-N 436.477 5.891 30 40 IKEB C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 2728294 FGWAHUJFZHMURR-DJUDNFEDSA-N 434.348 5.140 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 3322560 QVRFMZTZCIEKTR-MHWRWJLKSA-N 428.922 5.057 30 40 IKEB COC(Cn1c(-c2ccccc2)cc(C2=C(O)CC(C)(C)CC2=O)c1-c1ccccc1)OC 4391211 QBVQMLPXEWDNAL-UHFFFAOYSA-N 445.559 6.099 30 40 IKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(NC(C)=O)s2)cc1 16734732 BCBLXOUOZPQAGX-ZVHZXABRSA-N 441.988 5.714 30 40 IKEB COc1cc(/C=N/Nc2nc(C)nc3sc(-c4ccccc4)cc23)cc(OC)c1OC 33045707 GHQPCINNPGPGES-ZMOGYAJESA-N 434.521 5.139 30 40 IKEB C(=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1)\c1ccccc1OCc1ccccc1 59461384 GQZQAMIOMRPPDC-PBGFEDEFSA-N 428.513 6.456 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 70665915 SFRQXDVWVNVHCW-FTJBHMTQSA-N 447.660 6.551 30 40 IKEB biogenic C=CCc1cc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)ccc1OC 72390671 IDKZOWCHSXFNSL-DEOSSOPVSA-N 442.563 5.260 30 40 IKEB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1 84687080 JXLFGOSYBSSLLA-ACJLOTCBSA-N 435.936 5.787 30 40 IKEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1ccc(/N=N\c2ccccc2)cc1 408534865 MSOQNJXMIDHVKS-KYPMJVNZSA-N 445.866 5.357 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 408588319 BERWQVQHAJIMHU-BRJLIKDPSA-N 444.846 5.526 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c([N+](=O)[O-])c1 408811533 LMNATMALVOWSQG-WYMPLXKRSA-N 433.399 5.091 30 40 IKEB CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408856222 BLQZIHGQWUIYFT-VEIFWBPYSA-N 434.605 6.658 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c1OC 408910677 XQDMCGKZBILJEV-SPFAOYRPSA-N 444.556 6.069 30 40 IKEB CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408945950 XTGYQRXZHKYUPE-VIZOYTHASA-N 441.108 5.651 30 40 IKEB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 408966000 YMWNMGPXNXTZRE-KOEQRZSOSA-N 443.616 6.637 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 408968001 YKTWOVIETCPUOK-BUVRLJJBSA-N 445.588 6.118 30 40 IKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccccc3[N+](=O)[O-])sc1C2 409046710 LOPRYHMJUDOOJF-AWQFTUOYSA-N 430.283 5.144 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(C)cc1 409109663 IXDUBXMJYANRAV-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCC(=O)O)cc1C 409217319 OZNVTZYDMPRYMK-DNTJNYDQSA-N 441.119 5.042 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 409217937 RTHLVIRKYVMGPE-FOKLQQMPSA-N 446.246 6.661 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=C/C=C/c2ccco2)cc1C(C)C 409290688 AJBQQODZMBVHOG-LYSMAPSGSA-N 427.504 5.644 30 40 IKEB CCCC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)CCC)C1c1cccc([N+](=O)[O-])c1 823450 MHYIMRXKELKIOV-UHFFFAOYSA-N 432.520 5.700 30 40 IKEB COc1ccc([C@H](CC(=O)c2ccccc2)[C@@H](C#N)c2ccc(Br)cc2)cc1 1084378 HPQCQYKQZYRGAA-GOTSBHOMSA-N 434.333 6.122 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 2625520 KIBFRPNSJHRPMB-UHFFFAOYSA-N 438.871 5.040 30 40 IKEB O=C(Nc1sc(N/N=C/c2ccccc2Cl)nc1-c1cccs1)c1ccco1 9223177 ILBVKKWYSNNHNE-SRZZPIQSSA-N 428.926 5.816 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C 9307673 PWEYYZISCIRZHR-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CCCCc1ccc(N/N=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 12550958 UDKQZLSEPCPYIX-LGUFXXKBSA-N 439.382 6.255 30 40 IKEB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 12636813 DSZVJUOPOWGAMO-UHFFFAOYSA-N 432.295 5.448 30 40 IKEB CCCCOc1ccc2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 15945079 MANOFFIFOMLJPO-JFLMPSFJSA-N 431.561 5.551 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=S)Nc1ccccc1 16268175 HFAPXJGJRKJOFS-LJQANCHMSA-N 426.372 6.766 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1cccc(Cl)c1 16789174 DWVGKQDDKPCFPO-UHFFFAOYSA-N 426.973 5.386 30 40 IKEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 19855105 OIKKHQBJFZQQSO-JOCHJYFZSA-N 442.342 5.705 30 40 IKEB COc1ccc(C2=C(C(=O)c3ccccc3)[C@@H](C)Nc3nc4ccccc4n32)cc1OC 20569231 GIKIRKWSHMQYFO-MRXNPFEDSA-N 425.488 5.010 30 40 IKEB O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)c(Cl)c1 38162569 KJSNIGFXBLTMMU-KIBLKLHPSA-N 445.689 5.904 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3)nc2c1 38180012 XPBCTOXLTFSPNU-WOLHVBPDSA-N 449.894 7.026 30 40 IKEB C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 44087842 RSLWXNJEVJLTSX-UHFFFAOYSA-N 429.294 7.143 30 40 IKEB CCCCCCCCCCOC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1 98001384 WGKAXUFQNMRISR-UHFFFAOYSA-N 431.661 8.063 30 40 IKEB biogenic Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)cc1 408575604 NNDCZOONHPUWHJ-UHFFFAOYSA-N 431.875 5.129 30 40 IKEB COc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)c(OC)c1 408720995 HVGASBLJIJTQLT-SSDVNMTOSA-N 426.270 5.125 30 40 IKEB COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCc1ccccc1 408765150 ZUCHJWDXOVADFV-HAHDFKILSA-N 430.529 5.474 30 40 IKEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408804394 FJNCXNAKVAJGMW-XSFVSMFZSA-N 446.890 5.033 30 40 IKEB Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(Cl)cc1 408857494 OTRXRUSUICTYPJ-NDZAJKAJSA-N 440.974 7.708 30 40 IKEB C=CCn1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 408889734 GNFMAXBDLWBHAU-UHFFFAOYSA-N 428.576 5.801 30 40 IKEB CCCCN1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)S/C1=N\c1ccc(C)cc1 408911801 KQOSQJSQIPHGAQ-OBUXZSPNSA-N 438.593 6.197 30 40 IKEB CCCOc1ccc(C2C3=C(CCCC3=O)N(CCC)C3=C2C(=O)CCC3)cc1OCC 408919694 BMNRPQIZEVSOER-UHFFFAOYSA-N 437.580 5.698 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)S2)cc1 408950532 GDAWEBUPGAYHJT-XDHOZWIPSA-N 446.956 5.426 30 40 IKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OS(=O)(=O)c1ccccc1 409112506 GNBCHNPKXAXUBI-UHFFFAOYSA-N 437.561 5.502 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C 409115968 KFPBRKZAONQHNQ-UHFFFAOYSA-N 445.582 6.350 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3I)c2C)cc1 409186597 FIRBZCGWBLOOIS-UCQKPKSFSA-N 444.316 5.848 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c([N+](=O)[O-])c1 409226386 NKBBGVXQXDOKHI-CFRMEGHHSA-N 433.399 5.091 30 40 IKEB CCc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 726683 ZTFTZLTWCFXRRA-VWLOTQADSA-N 429.560 5.596 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1O 855511 YCFCNJOAWORSMM-UHFFFAOYSA-N 437.524 5.724 30 40 IKEB CCC1=C(CC)[C@@H](CC)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O 1108189 BQIGNKOHMRZTIZ-MHECFPHRSA-N 425.594 5.744 30 40 IKEB O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(F)c3)S/C2=N\c2ccccc2)cc1 2085152 GHFUZGKHWTWFCA-ZHUSSGSBSA-N 432.476 5.328 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2189364 VLXUERIDZMIKPA-ZDLGFXPLSA-N 442.855 5.329 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2204960 SLFGTAACOOUBFU-UHFFFAOYSA-N 425.536 5.562 30 40 IKEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)o1 2437195 YFRWDWMWGHSDOD-ODLFYWEKSA-N 425.234 5.186 30 40 IKEB CCCCN(CCCC)C[C@@H](O)Cn1cc(/C=C/C(=O)c2cccs2)c2ccccc21 8430756 DPWWHDCODBZROS-DGXIYAMASA-N 438.637 5.862 30 40 IKEB COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 9971261 HUYXGJWAGCRFOS-UZSLGNBGSA-N 426.516 6.241 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 12362241 MZWMSJYEFDKGQE-FXZATJRASA-N 438.358 5.761 30 40 IKEB CSCC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 12555254 YJOQTSVEXFWMEO-AWEZNQCLSA-N 438.622 5.696 30 40 IKEB O=[N+]([O-])c1cc(Br)ccc1-c1ccc(/C=N\Nc2nc3ccccc3s2)o1 15223456 CKYKJNHZXUQIOE-JMIUGGIZSA-N 443.282 5.673 30 40 IKEB Clc1cccc(/C=N/Nc2nnc(N/N=C/c3cccc(Cl)c3)c3ccccc23)c1 17418732 CYKZGUGAOIRLRS-BKHCZYBLSA-N 435.318 5.829 30 40 IKEB CCOC(=O)c1ccc(NC(=O)c2c(/N=C\c3cccnc3)sc3c2CCCCC3)cc1 18066129 AZXGPZNTHBRUJB-YUMHPJSZSA-N 447.560 5.592 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1ccccc1 21722024 BJDHASRHBIEXCH-VWLOTQADSA-N 429.545 5.367 30 40 IKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59250388 XJUUUQKNSXLPNM-FOKLQQMPSA-N 431.717 5.959 30 40 IKEB CCCCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](N)C(=O)OCC 70665998 OUVBUIRXQDERDF-FTJBHMTQSA-N 447.660 6.643 30 40 IKEB biogenic Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 408932732 YWLNEGQNBNQDSQ-CVKSISIWSA-N 428.363 5.988 30 40 IKEB CCCCCCCCNC(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408975371 AUNDLHJRZCCYIL-UHFFFAOYSA-N 439.563 5.844 30 40 IKEB C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409096893 LINCRGUFEWEYKQ-FYJGNVAPSA-N 433.489 5.129 30 40 IKEB CCOc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 409202475 QYXBWXOGVASKGZ-YDZHTSKRSA-N 441.827 6.098 30 40 IKEB C=CCOc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405813 VRZKVQXUNHMBJM-UHFFFAOYSA-N 431.495 5.664 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 1077003 QEBMURGLDOWRRC-QKFKETGDSA-N 441.383 7.034 30 40 IKEB O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)S/C(=N\c2ccccc2)N1c1ccccc1 2084621 RNTWUJDCCSQWMC-TVNBHEQGSA-N 441.339 6.508 30 40 IKEB C=CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2213586 XCZYEMIWKUQXCK-UHFFFAOYSA-N 442.628 6.455 30 40 IKEB CCOc1cc(/C=N/Nc2ccccc2)c(Br)c(Br)c1OC 8780841 GQURDTWLNNBHGE-VXLYETTFSA-N 428.124 5.065 30 40 IKEB C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1ccccc1Br 12661204 QJEFOMFQMHCPGM-KEUFMJMZSA-N 448.389 6.059 30 40 IKEB COc1ccc(Nc2nc(N/N=C\c3ccc(Cl)cc3)nc(Nc3ccccc3)n2)cc1 30072256 WARBDOVXSFRCKG-MYYYXRDXSA-N 445.914 5.467 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Oc2ccccc2)cc1 35111938 LVUSMLFVFAEDMA-AHKZPQOWSA-N 447.534 6.521 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5)ccc4O)ccc3o2)cc1C 38179881 FUODRZXTBQQYMN-UXHLAJHPSA-N 432.523 7.159 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 43867050 FVWJYYTZTCVBKE-GFEHVKGOSA-N 442.728 6.997 30 40 IKEB in-man CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@@H]2c1cccs1 44973616 RSXMWSWDELGHFV-LJQANCHMSA-N 448.617 5.613 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3ccc(SC)cc3)S/C2=N/c2ccccc2)cc1 100236800 BONVVIFJTJKCFX-IVCURSBOSA-N 446.597 6.221 30 40 IKEB CCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 100959458 SSHDJSNNRZLSLN-UHFFFAOYSA-N 436.017 6.453 30 40 IKEB CCCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)S/C1=N/c1ccccc1 208236377 WWYSEDDAYLITQW-BYZOWGHSSA-N 447.648 6.731 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Br)cc3F)cc2)cc1 408800057 JYKJNXXTCQTEDS-MXAYSNPKSA-N 441.300 5.665 30 40 IKEB Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)o2)cc1C(=O)O 408858923 UPELEQMCDKZCKA-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CC 408914325 UNMNNMOHFFNRGL-GCXIQGEKSA-N 436.964 6.786 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 408989389 HQILFORKDITYBA-AQTBWJFISA-N 434.502 5.033 30 40 IKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 409117647 PTADMKYZUBBROH-UHFFFAOYSA-N 442.386 7.312 30 40 IKEB CC1(C)CC(=O)c2c(nc(SCC(=O)c3ccccc3)c(C#N)c2-c2ccccc2)C1 630355 IOXKJKGZCCZRES-UHFFFAOYSA-N 426.541 5.750 30 40 IKEB COc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 721236 QMPAZLQZGXTCEK-LWMHEAGWSA-N 425.484 5.186 30 40 IKEB CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 1382809 VDZQPQYBDBIKTN-HNNXBMFYSA-N 427.850 5.050 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(F)cc1 1434669 QGBBCDVTQWDVTP-OYHNWAKOSA-N 425.887 5.014 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 2151321 DGRQHEBQMCKXCC-RUZDIDTESA-N 434.539 5.659 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccc(Cl)cc1 2417720 IJVLLSIISYVHLN-JAIQZWGSSA-N 445.685 6.482 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1Sc1ccc(Br)cc1 8857132 LXHJNCICEPTGQI-UHFFFAOYSA-N 435.268 6.553 30 40 IKEB CCOC(=O)/C(=N\Nc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 9008946 PIRUPNNSVZWTTA-HPNDGRJYSA-N 443.532 5.015 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 9462663 QPSMUHWMGMTHMJ-MLKPGFSBSA-N 429.589 6.173 30 40 IKEB Cc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)nn21 12639954 AJHVPYBLECCNCZ-XMMPIXPASA-N 440.591 6.209 30 40 IKEB Cc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)nn21 12639957 AJHVPYBLECCNCZ-DEOSSOPVSA-N 440.591 6.209 30 40 IKEB N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)c1ccc(Br)s1 12685312 KRJZLDCNWYASNJ-UHFFFAOYSA-N 426.291 5.089 30 40 IKEB Cc1cc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2nc1C 13574776 NEUCLWACJNRNQV-MDZDMXLPSA-N 433.558 5.705 30 40 IKEB Oc1ccccc1/C=N/c1ccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3[nH]2)cc1 16449079 AWUNALUYKQQNCJ-LPHFKDDMSA-N 432.483 6.142 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2c(Cl)n(-c3ccccc3)c3ccccc23)c([N+](=O)[O-])c1 17062492 AWKCSEAUFJEXAL-YDZHTSKRSA-N 435.827 5.546 30 40 IKEB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 17099668 RYXYNCWWCQBGIR-ZDUSSCGKSA-N 435.574 5.033 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N\c1cc(C(F)(F)F)ccc1NCc1ccccc1 17125933 LJFCTAIRZSFJMR-NVJOKUIPSA-N 439.264 7.081 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 19848680 JXDCVZKEBIJJLD-DEOSSOPVSA-N 449.978 5.730 30 40 IKEB COc1ccc(Cc2cc(C(F)(F)F)c(C#N)c(SCc3cccnc3)n2)cc1OC 19853601 SDFLBAMKCGSOKJ-UHFFFAOYSA-N 445.466 5.267 30 40 IKEB CCOc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 27299630 YMWPGSMIBHKRHW-OAHLLOKOSA-N 430.355 5.538 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c2cc(OC)ccc21 28182596 GQWIGWHKQSVVMS-KSEXSDGBSA-N 449.503 5.007 30 40 IKEB O/C(Cc1csc(-c2ccccc2Cl)n1)=N\c1nc(Cc2cccc(F)c2)n[nH]1 95464961 GARPLPUDAJJVDS-UHFFFAOYSA-N 427.892 5.142 30 40 IKEB Cc1cc(Cl)ccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650574 YKQPQEGEUVQORP-DRGFOCDESA-N 429.973 5.362 30 40 IKEB CC(=N/N=C(c1ccccc1)c1ccccc1)/C(C)=N\N=C(c1ccccc1)c1ccccc1 104068750 SQNDMHBJDILOHJ-PUHRYQSPSA-N 442.566 6.813 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 118916318 UELTYJDTQILMTO-WYINDTISSA-N 446.553 6.671 30 40 IKEB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C=C(O)C(=O)C(C)(C)[C@H]1CC3 263609177 UTKPULHOQVNYNK-ALQJBUOQSA-N 438.696 8.349 30 40 IKEB Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1C 408739391 BJQOHCWMBUXGKC-WEMUVCOSSA-N 426.563 8.179 30 40 IKEB CC(=O)c1cccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408854269 BFRKANIFVNWKHH-SSDVNMTOSA-N 434.742 6.800 30 40 IKEB Cc1ccc(Sc2oc(/C=N/c3ccc(-c4ccccc4)cc3)cc2Br)cc1 408912485 GWIOVBVDCUBEKB-WGOQTCKBSA-N 448.385 7.919 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl 408938620 LEVWEVSHASTCOE-ZYXXKRPKSA-N 442.990 7.624 30 40 IKEB COc1cc(/C=N/Nc2ccc3ccccc3n2)ccc1OCC(=O)Nc1ccccc1C 409015900 CHHUUVDHRJRVTJ-JVWAILMASA-N 440.503 5.015 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OC(C)C 409079803 MAGIQJUMXQYAQO-WMMPRDMWSA-N 445.028 6.971 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409203017 UEMWGXLNFCAKJC-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB Cn1cc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c2ccccc21 409283664 SFCZMAXBQZVKEA-UHFFFAOYSA-N 446.432 5.456 30 40 IKEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=C/C=C/c1ccco1 409324931 WOTDHHYTLMAOCF-XIIRQFBQSA-N 426.314 5.347 30 40 IKEB CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc(Br)cc32)=C(O)C1 1097788 KKGFFQSFDZJSEK-IBGZPJMESA-N 445.353 5.770 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C#N)C1 2086280 VQPVWWRIJNKDHO-GFCCVEGCSA-N 431.945 5.975 30 40 IKEB C=CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 2292123 ZLVCQRLMQDFLIR-UHFFFAOYSA-N 428.601 6.244 30 40 IKEB biogenic O=C(O/N=C1\CCCc2c1[nH]c1ccc(C3CCCCC3)cc21)c1ccc([N+](=O)[O-])cc1 8453896 JEJISTTXHDGUTC-SLEBQGDGSA-N 431.492 6.021 30 40 IKEB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c(OC)c1OC 8544624 UFCRYBCNWONLPH-HXUWFJFHSA-N 445.515 5.490 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 9374102 NFUIYLGWKYQGAO-UNMCSNQZSA-N 439.939 5.221 30 40 IKEB CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 9972255 FYCTYEMAPAOEEF-WINIVTDRSA-N 427.523 5.871 30 40 IKEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N([C@H](C)c2ccccc2)C1=O 12372340 OUHSPJKTHNYAMN-BTVGSKPESA-N 437.568 6.842 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 13750690 CFTVGFJHCXEYDF-UVQVWFEYSA-N 445.588 5.873 30 40 IKEB COc1c2c(cc3c1[C@H](C#CCOc1cc(C)c(Cl)cc1C(C)C)N(C)CC3)OCO2 20410457 SCRVHZJAEBYCPQ-FQEVSTJZSA-N 441.955 5.121 30 40 IKEB biogenic CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3ccc(N(C)C)cc3)N(C)C)o2)CC1 27991419 NQRWHOOLRLPDTO-NFDBJIOVSA-N 437.632 5.791 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCCC3)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1 33570900 YMARKAUCJQUIKU-BESZJCKESA-N 441.641 6.208 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 33630492 GLWAHTZESGBQDO-HYARGMPZSA-N 434.492 5.305 30 40 IKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(OC)c(OC)c3)C[C@@H]12 34107144 SZBWKZHLROZHJQ-LSXMLRQXSA-N 432.560 5.831 30 40 IKEB Cc1ccc(C(=O)Nc2sc(N/N=C/c3cccc(O)c3)nc2-c2ccc(F)cc2)cc1 40221137 RGIDEJKULFDTHR-VULFUBBASA-N 446.507 5.662 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c2)c1 59475475 KIKLPNHZISBAIR-JRXWSOMVSA-N 440.271 5.349 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC 60512728 APBAQZWFRXIAKX-XSFVSMFZSA-N 427.547 5.065 30 40 IKEB CSCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N\c1cc(C)ccc1C 102923046 LEPXUNDDOVPBMB-DJOYVXLESA-N 441.578 5.569 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)S2)c1 260569778 RYZKLHMDZDUQLR-QHSFOXILSA-N 447.648 6.696 30 40 IKEB CC/N=C1\S/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1CC 408843679 APTGYTRZUNTINB-YYZJCZGKSA-N 440.308 5.474 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1C 408913275 PSQJMRTXKVJGMW-YCJCGMCGSA-N 428.557 6.116 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccccc2I)c1C 408965416 HCJONXPZPOJPPP-UCQKPKSFSA-N 428.317 6.012 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 409064756 FDYIULAOIMSXTE-DEDYPNTBSA-N 429.925 5.540 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1Cl 409202612 SCSLGUZLZONIBG-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 409213166 OVWRBBDSKPLFCO-JFLMPSFJSA-N 444.358 7.120 30 40 IKEB CC[C@H](C)Oc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cccc1OC 409279488 HUBRZJWPCAKVDK-SFHVURJKSA-N 433.552 5.512 30 40 IKEB CCOc1ccc(Cl)cc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409291015 VYZOKTGJWDNKLP-UHFFFAOYSA-N 448.748 5.217 30 40 IKEB COc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1OCc1ccccc1 409368455 WSJLWFVFGQVOMK-YBFXNURJSA-N 435.317 5.859 30 40 IKEB CSc1ccc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 1531202122 XJSBXPCSNZITRY-UUYOSTAYSA-N 430.371 5.061 30 40 IKEB N#C[C@@]1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC2c3ccccc3C1c1ccccc12 850343 MZHSLOSHZGMASS-UEYYRQBOSA-N 441.534 6.560 30 40 IKEB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1sc2c(c1C#N)CCCCC2 2081751 CULMPLVZYPQTPO-UHFFFAOYSA-N 437.568 6.665 30 40 IKEB O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OC(=O)C3CCCCC3)ccc21 2400298 HJRFXIZPQPKQKE-NDENLUEZSA-N 427.294 5.551 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)C(=O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 4293392 QXRLFOIWIZFYOW-HTMKDARESA-N 428.701 7.588 30 40 IKEB CCN1CC[C@](O)(/C=C/c2ccc(Cl)cc2)[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 5849346 PYGIJQFAQRQZHN-WZAKKFEMSA-N 430.375 5.362 30 40 IKEB COC(=O)c1cc(-c2ccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)o2)ccc1Cl 8722623 CSFYAEOQCGMZFA-IOXBOXJCSA-N 444.743 5.528 30 40 IKEB COc1cc(/C=C/C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc(Cl)c1OC(C)C 12684770 OQQUIKPMQKEFJH-ZHACJKMWSA-N 437.927 5.480 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(C)ccc1C 13842000 SBHUVNUUNSENQS-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 15978815 LZMHAEJBDAGNDI-VIZOYTHASA-N 431.557 7.248 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccc(Cl)cc1Cl 16805389 QKHPCAIWCXTCTM-UHFFFAOYSA-N 445.318 7.300 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(Br)cc3)cc1)N2 35167004 AARNPXITCXVHCB-WCJVRYJWSA-N 443.388 7.335 30 40 IKEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611477 QFYFARFYALKYGT-LSHDLFTRSA-N 449.319 5.621 30 40 IKEB CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2 102065643 DXKWSFJVEUXPNY-LJQANCHMSA-N 435.674 7.299 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OC 214841371 DGCUBVGRMOFSDF-HZHRSRAPSA-N 431.513 5.650 30 40 IKEB C=CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 225346584 BWXIRVVRFUFVMT-UHFFFAOYSA-N 427.422 5.778 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@H]5CC(=O)C[C@]5(C)CC[C@H]43)C2)cc1 253597589 IFADLLNZMJESQF-NYXXZXROSA-N 444.637 5.681 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)S/C1=N\c1ccccc1 408911106 YONHZLHTRUQMBJ-PIDRKRQWSA-N 446.547 6.419 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OC 408943441 SEZAGBIDIJUIIV-UEWURZGNSA-N 448.566 6.593 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1Cl 408951715 JVKUUZSNBMCWSQ-LDADJPATSA-N 447.343 5.296 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 409052492 IAPLMPUANPHDSN-UNOMPAQXSA-N 429.925 5.458 30 40 IKEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 409094479 FNWFAFGUNMNAPH-PCLIKHOPSA-N 443.484 5.986 30 40 IKEB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)C1=O 409240790 HYVKIQHQLJYVAA-YBFXNURJSA-N 442.924 5.246 30 40 IKEB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1 585292890 AZHGXZOSMNVQEK-RUZDIDTESA-N 439.563 5.750 30 40 IKEB COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1927692 MNXPXOIMGWLTSF-WNPFHQFXSA-N 431.355 5.168 30 40 IKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3)nc2c1 3094525 OSNCSIKUXNSGCE-FOKLQQMPSA-N 432.392 5.384 30 40 IKEB CCCCCCCCn1cnc2c(NS(=O)(=O)c3ccc(OC)cc3)c(C)c(C)cc21 3133377 HYZQLVUKFJXZFE-UHFFFAOYSA-N 443.613 5.823 30 40 IKEB N#Cc1c(NC(=O)COC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 3345093 PDVHNZTWZRXLMB-UHFFFAOYSA-N 430.938 5.162 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)cc1 4065032 PUBGMKLSHJCVGM-XRHLQHRESA-N 442.515 5.389 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 4081756 MHAVMNJPXLZEIG-ANQPKLBTSA-N 438.696 7.412 30 40 IKEB biogenic COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F 6015319 LQKQDGKVWVCMAN-QHCPKHFHSA-N 434.511 5.077 30 40 IKEB O=P(/N=C(/Nc1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1 6190010 PVKMIJRWLNIQDY-UHFFFAOYSA-N 428.428 6.811 30 40 IKEB Clc1cccc(Cl)c1CN/N=C/c1c(OCc2ccccc2)ccc2ccccc12 9197623 KVJLRJWCTLDQNM-RWPZCVJISA-N 435.354 6.849 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccs2)cc1 9271188 FUJHIFBXSHDIEA-SFHVURJKSA-N 440.546 5.003 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c(OC)c1 13567889 QVZOWCJZXCSKDJ-SFHVURJKSA-N 445.437 5.250 30 40 IKEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 14091493 UZVNIAZFKNXIEN-UHFFFAOYSA-N 433.364 5.093 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OC 15018514 VXKPTNQQVWLWBT-CENQWQLUSA-N 446.528 5.521 30 40 IKEB CCCc1cc(SCC(=O)c2ccccc2OCC)n2c(nc3ccccc32)c1C#N 16740567 KSUXDXAEGKOKND-UHFFFAOYSA-N 429.545 5.685 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCc1ccccc1 19314431 SLSZWDXRFHRQPW-VWLOTQADSA-N 445.559 5.433 30 40 IKEB CO/N=C(/CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 20388080 BMUCHCGWBDQOHS-FVDSYPCUSA-N 433.983 5.098 30 40 IKEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SC2CCCCC2)cc1 32828836 FJKVPUGGJCDBFY-OAQYLSRUSA-N 437.590 5.402 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2cccc(Br)c2)o1 59106015 FRCNSNJZDQTLPF-WOJGMQOQSA-N 443.297 5.740 30 40 IKEB Oc1c(Cl)cc(Br)cc1/C=N/c1cc(Cl)ccc1N1CCOCC1 102424691 NICBQMORWKJHTA-UFFVCSGVSA-N 430.129 5.049 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 118919132 UOCUEIOMIAYZNI-OJUNSENVSA-N 428.613 5.468 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)SC1=Nc1ccccc1 260569750 RRMWORPIGHMGPE-RIASEESXSA-N 433.621 6.341 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408667637 BWZWJDKLYCLOKQ-LDTXMFMOSA-N 436.596 5.858 30 40 IKEB CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408860429 VLWOGLIFUUPFJF-CINWYSMESA-N 448.632 6.904 30 40 IKEB CC(C)(C)c1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc(C(C)(C)C)c1O 408879225 CHRXEYQJJYRTBY-UYRXBGFRSA-N 426.557 6.018 30 40 IKEB CCOC(=O)c1cccc(/N=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)c1 408914371 PNWDJGCKGKCYMV-QRVIBDJDSA-N 444.350 6.429 30 40 IKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc(C)c1 408931087 GZXIMNVSMMSVQX-TURZUDJPSA-N 430.548 5.560 30 40 IKEB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1C#N 409093880 BIBUPVHGOFDSFR-OYKKKHCWSA-N 428.513 5.621 30 40 IKEB Cc1ccc2cc(C#N)c(SCC(=O)N3c4ccccc4Sc4ccccc43)nc2c1 899132 WRCIMLMSXKOXHW-UHFFFAOYSA-N 439.565 6.337 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1411014 ZCRQOXFBOGJFEI-UHFFFAOYSA-N 449.846 5.298 30 40 IKEB Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1445385 QDJOTKIJRDKOTD-NRFANRHFSA-N 448.862 5.340 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)c(OC)c1 2055087 DXDXNFACWIRAOJ-QHCPKHFHSA-N 441.568 5.041 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4c(C)c(Cl)c(C)c([N+](=O)[O-])c4O)ccc3o2)cc1C 3114236 ANUIUIDCAUFUSY-KBKYJPHKSA-N 449.894 6.746 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 4027528 UOCUEIOMIAYZNI-WMVXCVSDSA-N 428.613 5.468 30 40 IKEB biogenic CC(C)c1ccc(/C=N/Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1 6190763 IGFFUMXCISPLTO-WGOQTCKBSA-N 433.535 5.314 30 40 IKEB N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1[S@@](=O)c1cccc(C(F)(F)F)c1 8781512 LFKYEUMNBVOIIG-SSEXGKCCSA-N 432.398 5.135 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccco3)sc2c1 8915090 QDUJSZVNPLJXFC-LJQANCHMSA-N 434.473 5.136 30 40 IKEB C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccc(Br)cc1 9439367 WCOZBAJPZKGSLX-UHFFFAOYSA-N 434.334 5.334 30 40 IKEB CCOc1cc(Br)cc(/C=N/c2ccc(OC)c(Br)c2)c1O 16688203 YMGYZGLOIYYNBA-DJKKODMXSA-N 429.108 5.075 30 40 IKEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 19314533 WGTIFUWEMHRDIA-GOSISDBHSA-N 432.358 5.006 30 40 IKEB Cc1ccccc1OCc1nc(C#N)c(N2CCC(c3nc4ccccc4s3)CC2)o1 27742883 VIHDWQMOWHUCSG-UHFFFAOYSA-N 430.533 5.427 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 83318175 KSACQVMGLBDROH-QQXSKIMKSA-N 427.460 5.782 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1O 96469433 KDRHSIVWJBNKAY-RZZGQMAMSA-N 430.529 5.248 30 40 IKEB FC(F)(F)C(F)(F)CCCCCCCCCCCCCCC(F)(F)C(F)(F)F 169795186 RWJLJVOLWPMNCQ-UHFFFAOYSA-N 434.402 8.843 30 40 IKEB CO/N=C(/C)[C@@H]1/C(=N/OC)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257198392 KLCZPBNZZJGNRW-QIZMPLMYSA-N 432.605 5.212 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C(=O)OC)cc3C)c3ccccc32)c1 408543482 RKDCRMYTOLHMSM-RWPZCVJISA-N 440.499 5.322 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2CCc2ccccc2)cc1 408909911 FMXZYJIQBRPOFQ-GFYHBDFCSA-N 448.591 6.995 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409217400 UGUPLSYLZSIIEC-CVKSISIWSA-N 438.911 5.515 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 2454478 FTKCQGUKEQWPBA-UHFFFAOYSA-N 441.000 5.813 30 40 IKEB C(=N/N=C(c1ccccc1)c1ccccc1)\c1cn(-c2cccs2)nc1-c1ccccc1 3239105 OXZIUAAZCYCKAK-TURZUDJPSA-N 432.552 6.472 30 40 IKEB N#Cc1c(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)sc2c1CCC2 3348473 UPJRENRPQFXIPP-UHFFFAOYSA-N 448.598 5.511 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccccc1)N(C(=O)c1ccc(Cl)cc1)c1ccccc1N2 9264159 ODPHRYGXPPCFJO-VWLOTQADSA-N 428.919 6.161 30 40 IKEB N#Cc1ccc(-c2ccccc2)nc1SCCC(=O)OCC(=O)c1ccc(Cl)cc1 13579564 CWZKGBRQPSIOIQ-UHFFFAOYSA-N 436.920 5.182 30 40 IKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(Cl)c1 14271486 BMOGXRCRGOJKIF-CYBMUJFWSA-N 446.041 5.859 30 40 IKEB CCOc1cccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O 100505553 JGVNGGKGSNSQAK-ZMOGYAJESA-N 437.293 6.112 30 40 IKEB CCCCCCCCCCCCC/C=C\[C@H]1[C@H](C(=O)OC)N1[S@@](=O)c1ccc(C)cc1 104316208 AZKUUQNZEQUQCQ-QBKNHIHOSA-N 447.685 6.501 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1Cl 113860519 ZKTKKUVIISFIFY-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl 408571272 ODTPOOHWAUPZAY-IBGZPJMESA-N 448.907 5.043 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)c1 408965910 JTRMNWXKCKEZIX-ZVHZXABRSA-N 425.326 5.784 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1 409404738 LXYGOPINGREZOW-UHFFFAOYSA-N 446.554 5.970 30 40 IKEB CCCCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330281 DMAYPFGKOMYKNC-HNENSFHCSA-N 434.524 9.637 30 40 IKEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ccc(CC(C)C)s2)n1 585293561 ITSBQRVNKHGDOV-XMMPIXPASA-N 446.624 5.783 30 40 IKEB N#Cc1c(NCc2ccccc2)nc(N2CCCCC2)c2c1CCN(Cc1ccccc1)C2 2226419 NBNCABAWPOLTBB-UHFFFAOYSA-N 437.591 5.114 30 40 IKEB C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 2272636 MKOOJJOTJFTPDL-KRWDZBQOSA-N 432.699 6.858 30 40 IKEB CCCCCCCCOc1ccc(/C=N/n2cnc3c([nH]c4ccc(OC)cc43)c2=O)cc1 2274756 NJFMOJCCFWBABT-OGLMXYFKSA-N 446.551 5.508 30 40 IKEB C=CCNC(=S)c1c(-c2ccccc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 2322260 ROVPCCYRHBNWDM-UHFFFAOYSA-N 425.601 6.171 30 40 IKEB Oc1cc(/N=C/c2ccc(-c3cccc(Cl)c3)o2)ccc1-c1nc2ccccc2s1 3035854 WNNQHRRSLJXDGJ-VULFUBBASA-N 430.916 7.333 30 40 IKEB N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCCCC2 3294461 OELJSOLXWGDWBQ-MDZDMXLPSA-N 448.466 5.103 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Br)c1 6015232 NFFIXKMOHLPLEO-LJQANCHMSA-N 434.333 5.387 30 40 IKEB Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\C2CCCCC2)cc1 8842899 ORCVMQIXEABWQC-QDJRPKQISA-N 435.618 6.175 30 40 IKEB CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 8874989 ZEOQAZHMZKHYCM-PZLSILOWSA-N 447.535 6.402 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 9272628 QOSSRUJFXGWGNB-FQEVSTJZSA-N 434.835 5.031 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1 12466100 JNAAZPVXVYVNER-TZFGQJNGSA-N 431.319 5.224 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 20633170 HKDIUJWGKHBEOU-RUZDIDTESA-N 437.499 5.847 30 40 IKEB C=CCN1C(=O)/C(=C/c2cccc(OCCSc3ccc(Cl)cc3)c2)SC1=S 27527893 KKLJDZZSEAAHFU-RGEXLXHISA-N 448.034 5.898 30 40 IKEB COc1ccc(/N=C2\[C@@H](N3CCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 33435816 YCXREHIUXQNIAX-CZSVHLHGSA-N 431.580 5.495 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cc([N+](=O)[O-])c(O)cc1Cl 36237485 UTEVFRQZRBWQID-XMMPIXPASA-N 448.906 6.417 30 40 IKEB COc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc(Cl)c1OCCC(C)C 72235907 KMLOOOLWAYPZGP-UHFFFAOYSA-N 438.858 5.499 30 40 IKEB N#Cc1ccc(-c2csc(-c3cccc(-c4nc(-c5ccc(C#N)cc5)cs4)c3)n2)cc1 84847086 VXTSQYMTQLWWHN-UHFFFAOYSA-N 446.560 7.011 30 40 IKEB CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc23)C[C@@H](c2ccccc2)CC1=O 100138549 WIHOITWLAPDKRG-JOCHJYFZSA-N 442.603 6.077 30 40 IKEB CCCCn1c(/N=C/c2ccc(F)c(F)c2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176655 DJDWHUJXFHGUDB-BIZUNTBRSA-N 439.509 7.523 30 40 IKEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cn3)n2)cc1 215706835 KYVLKDUBOZKQMU-UHFFFAOYSA-N 428.439 5.073 30 40 IKEB Cc1ccccc1OCc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N 223683142 QJYDSCDUHPXFHL-UHFFFAOYSA-N 431.348 5.417 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2ccccc2)S1 408752488 IUVVTGYHGRYJAO-HYARGMPZSA-N 445.500 5.374 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S/C2=N/c2ccccc2)cc1 408917736 AOOHTLLXTZAIKV-HLTANSAUSA-N 445.500 5.408 30 40 IKEB O=C1/C(=C/c2cc3c(cc2Cl)OCO3)S/C(=N\c2ccccc2)N1Cc1ccco1 408919619 ZEKYLFKLKPVKNB-GDSGPLBFSA-N 438.892 5.466 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 408975281 LTVISSGVGVZRPX-OVVQPSECSA-N 442.544 6.838 30 40 IKEB Cc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1N1CCCC1 409061240 CCWRZVFFNWRQFL-MTDXEUNCSA-N 449.664 6.349 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409213610 UNNHOALXKUNGAX-MZJWZYIUSA-N 436.939 6.042 30 40 IKEB CC(=O)C1=NN(c2ccccc2Cl)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 1815197 CZZCNFWZDFAVFD-NRFANRHFSA-N 443.981 5.481 30 40 IKEB C=CCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc2c1 1913198 UDPKFDDYRJMDMN-UHFFFAOYSA-N 434.366 5.868 30 40 IKEB Oc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1/N=C/c1c(O)ccc2ccccc12 3234116 QRERHQNYKWLBFE-RKMZGRCJSA-N 432.479 6.611 30 40 IKEB CCc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 6197638 WLIPUUDIJUGUGY-VWLOTQADSA-N 444.575 5.500 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 9422526 UVVLMKNFVIUWKH-UHFFFAOYSA-N 434.870 6.593 30 40 IKEB Cc1ccc(N2C(SCC(=O)O)=N/C(=N/c3ccc(Cl)cc3)C23CCCCC3)cc1 9434561 YNSDJGUKBLIMJW-NJNXFGOHSA-N 441.984 6.075 30 40 IKEB CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 9972252 FYCTYEMAPAOEEF-PPHZAIPVSA-N 427.523 5.871 30 40 IKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 11614476 VYHJWELMMIXHGU-KDCJDZRUSA-N 426.428 6.072 30 40 IKEB Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)cc1Cl 12445184 OLIGWKQTBJOIJU-UHFFFAOYSA-N 435.930 6.070 30 40 IKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C(/C(=O)c1ccccc1)c1ccccc1 12566234 CRNWIYMYGTZZOE-NYWHHRKGSA-N 426.907 5.540 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(Cl)ccc1N[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 12856901 PYHDSFIVPNGLHK-HXUWFJFHSA-N 432.307 6.124 30 40 IKEB COc1ccc(/C=N/OC(=O)c2ccc(C(F)(F)F)cc2)cc1OCc1ccccc1 14074998 ZDNXWVIYGSZQCC-MZJWZYIUSA-N 429.394 5.484 30 40 IKEB C=CCN(C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccccc2)cs1 14197014 NKGJPUPFDVOVBS-UHFFFAOYSA-N 433.558 5.678 30 40 IKEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nc(O)c32)cc1 16953602 IXJRHWWCUQQFOC-FQEVSTJZSA-N 445.544 5.048 30 40 IKEB Clc1cccc(Cl)c1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1 59475148 CLCMBEHFVMOZAA-DNTJNYDQSA-N 427.154 6.325 30 40 IKEB COc1ccc(Cl)cc1N1C(=O)/C(=C/c2sccc2C)N=C1SCCCC#N 104386049 LYZNASZRFWIKSW-QINSGFPZSA-N 431.970 5.499 30 40 IKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 225767327 FKJDESCNPMQRNQ-INIZCTEOSA-N 445.390 6.883 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(OC)cc3)C(=O)N2C)cc1 408953947 QVFRALNZBUROBF-HNYZTYFESA-N 433.533 5.118 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N\c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c2C)c1 409087697 ZIGVLWUMWSEGIP-YGDLGDLOSA-N 429.633 7.237 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 409087829 HXDNRCSJTQJUFY-QLIPUSLZSA-N 428.941 5.387 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(O)cc3)c2C(=O)Nc2ccccc2)C1 409090737 PUVJGCKVZIKFEV-ZQZJVFIWSA-N 432.589 6.608 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1cccc(F)c1 409210963 MGFWGKKPRPLYFG-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CCOc1cc(Cl)c(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OCC 409233092 KACOZFNIXQCNAN-WUDIKGTHSA-N 448.947 5.900 30 40 IKEB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O 409243490 WVXUDZHPPMTTIZ-MTJSOVHGSA-N 441.984 5.539 30 40 IKEB COc1ccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)c(OC)c1 409364017 VILICKPLXQKIMB-OCSSWDANSA-N 436.511 6.870 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CC(=O)O)ccc1OCC 585263966 RDJKRBMESGXLGW-HOKASXAUSA-N 428.956 6.192 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1)c1ccc(F)cc1 1414731 MVMVOLLSAFLFRI-DEOSSOPVSA-N 440.474 5.128 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1cccs1 1438364 UVMGNALPYQAUAJ-SFHVURJKSA-N 440.318 5.294 30 40 IKEB Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1Cl 2706603 PRKCVHTUMSBLLS-FOKLQQMPSA-N 443.363 5.225 30 40 IKEB Clc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc(Br)cc3)ccc2o1 2756900 OHPYJYQMIULWFR-DFJXIDDLSA-N 437.724 7.326 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NCCSc1ccccc1C 8398702 NQACUUZDHUBUAE-UHFFFAOYSA-N 433.746 8.465 30 40 IKEB biogenic COc1cccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)c1O 8916800 HEBKHGUEIXZJEZ-RUZDIDTESA-N 440.499 5.218 30 40 IKEB CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 9805292 ZWOYZOAVXBSZMW-SLGOVJDISA-N 444.578 7.425 30 40 IKEB COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1 12652143 OBVSHULDLPEWHN-HHHXNRCGSA-N 444.962 6.529 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)SC1=S 26593301 FNFQJJNVWSJUNZ-UNOMPAQXSA-N 445.993 5.623 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccccc3OS(=O)(=O)c3ccccc3)n2)cc1 59387360 VIQPBHKACIYBMB-BUVRLJJBSA-N 449.557 5.332 30 40 IKEB Cc1ccccc1C(=O)NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F 95725687 BNNZOZQCBDRVCH-UHFFFAOYSA-N 444.297 5.677 30 40 IKEB Cc1ccsc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 101857672 RPSZMEKANDWJCC-LNIIIOKPSA-N 436.646 7.272 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc21 223510165 SQKCUZAWVIWDAR-UCQKPKSFSA-N 431.605 6.297 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)S/C1=N\c1ccccc1 223534453 BISLFMSSQZMLDY-ACQFYHRASA-N 447.648 6.813 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N/c3ccc(C#N)cc3)c2C)ccc1I 408774698 XDHSVDYMVOACSK-ZMOGYAJESA-N 439.300 5.629 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 408959606 BWKAISHVXHGFGF-NKDOTSDESA-N 439.584 6.404 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C1=O)OCO2 408985617 NYAFLDVDPMCYRV-KFXLMUERSA-N 442.540 5.396 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccn3)o2)S1 408993641 WMUNDZSLAXUOMK-WJDWOHSUSA-N 427.938 5.679 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=Nc1ccccc1 409066630 NPWXTTRLNSYTRL-LXDPFISSSA-N 439.556 5.066 30 40 IKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Cl)c(Cl)c1 409104323 CUMGNXYQYNWKBN-WMDMUMDLSA-N 427.257 6.261 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccccc1F 409112394 CLSSKBNLSWWURJ-UHFFFAOYSA-N 425.931 6.716 30 40 IKEB CC(C)Oc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(OC(C)C)c1 409377572 IKTXTWJKZZVMFW-RWPZCVJISA-N 444.487 6.996 30 40 IKEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl 2054690 DOEFHXDBPMGCQF-SSDVNMTOSA-N 443.351 6.911 30 40 IKEB CC(C)[N+](C)(CC#C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 4029545 XMLJZMMZIZSGTD-QZGKZKIESA-N 432.628 6.143 30 40 IKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@@H]12 10272334 SDYMIDMUFXWPCF-IZLLSAALSA-N 438.514 6.415 30 40 IKEB COc1ccc2cc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c(Cl)nc2c1 13810764 YBAUQSBQEUYOFQ-LUOAPIJWSA-N 445.935 6.015 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 16267127 ZSAUAHRPHIPVCT-DHRITJCHSA-N 434.289 5.987 30 40 IKEB C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccc(Br)c1 19808405 QQARQCPVDSCHEQ-OVVQPSECSA-N 446.392 5.561 30 40 IKEB O=C(/C=C/Nc1ccc(I)cc1)c1ccc(-c2ccccc2)cc1 32138869 NZIJOIBOAYKOPO-CCEZHUSRSA-N 425.269 5.767 30 40 IKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc(Cl)cc1Cl 33760095 CANAVQJAIGZWBK-UHFFFAOYSA-N 448.419 6.766 30 40 IKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC)c(OC)c3)C[C@@H]12 34107143 SZBWKZHLROZHJQ-NSRXSEDKSA-N 432.560 5.831 30 40 IKEB CCC(CC)c1cc[n+](CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 40161599 NLPTXXZJCCERAM-UHFFFAOYSA-N 429.506 6.187 30 40 IKEB Cc1c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)oc2c1ccc1ccccc12 49574101 HUZVKOFPDNLRPL-QHCPKHFHSA-N 427.479 5.056 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc(Cl)cc3Cl)sc2-c2ccccc2)cc1 59484284 ROYXVGXRBGTIFJ-VULFUBBASA-N 438.383 7.538 30 40 IKEB C=CCOc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408562537 ACCQQFAXIHLPTF-AREMUKBSSA-N 444.556 5.278 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)cc1 408887924 UVUQMLKYQZGMNW-HMAPJEAMSA-N 434.492 5.305 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)c2ccccc12 408906687 DCZSZXUVKBJOLJ-WEOUEGTISA-N 444.600 7.033 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2C)C(=O)N1C1CCCCC1 408913694 RHYDUODDOQOVEK-UINIZAEWSA-N 434.605 6.503 30 40 IKEB C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC 408919703 BOFCLJUVOOGYGH-UHFFFAOYSA-N 441.955 5.347 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OC 409054650 UYXHDMUFPCROHV-RGEXLXHISA-N 445.924 5.029 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(CC)C2=O)c2ccccc12 409058013 RIENVSQDTRANLQ-JUMVDPBBSA-N 446.528 5.561 30 40 IKEB O=C1Nc2ccc(Cl)cc2C1=Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 409109850 MSECCZCFZFFTJV-UHFFFAOYSA-N 449.963 5.283 30 40 IKEB C#CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409142173 RRRVILOWDZYCKO-INIZCTEOSA-N 440.735 5.470 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2ccccc2)S1 409239829 QSZAMDYVHBPUOK-HYARGMPZSA-N 434.948 6.119 30 40 IKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386694 WSRQQWAFCVRNIO-GATIEOLUSA-N 447.387 6.790 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O 2356454 ZPBMBACIKDGMLR-DJJQPEHWSA-N 429.973 5.373 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 8763606 MHEARSTZMUHZRS-MOSHPQCFSA-N 435.461 5.781 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)S/C(=C\c2ccc(O)cc2)C1=O 9113274 KFYQNHNBVNUTEK-SXGWCWSVSA-N 436.316 5.243 30 40 IKEB COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)C1CCCCC1 9264184 GDZACYRSGQJUCA-AREMUKBSSA-N 430.548 5.782 30 40 IKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 11614469 RSYYMMUXQNEIOU-AJGZSZGKSA-N 437.539 7.461 30 40 IKEB O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccccc2N2CCCC2)c1O 16450172 IILOUIWBXRYJMO-WGOQTCKBSA-N 435.911 5.895 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3nc4ccccc4n32)cc1 17099614 ITRPBVPFKBZSGH-CCLHPLFOSA-N 435.527 5.769 30 40 IKEB Cn1nnnc1/N=C(\O)c1cc(-c2cc(Cl)c(Cl)c(Cl)c2)nc2ccccc12 26780173 OBPIMVXXNXROIG-UHFFFAOYSA-N 433.686 5.022 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)o2)cc1 59105747 IDJFCKIIJCZREU-DEDYPNTBSA-N 436.464 5.154 30 40 IKEB CCOc1ccc(/N=c2/scc(-c3ccc(Cl)s3)n2/N=C/c2ccc(C)o2)cc1 95950543 DRIJENKEELXMFB-BZCDASSZSA-N 443.981 6.346 30 40 IKEB Cc1cc(N2CCCC2)c(F)cc1/C=C1\S/C(=N\c2cc(Cl)ccc2C)NC1=O 107733240 ILBUUJBFYCJPGG-JAIQZWGSSA-N 429.948 5.588 30 40 IKEB COc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408739705 DTILGKXXJHOEKR-DFKUXCBWSA-N 428.535 7.571 30 40 IKEB CCN(CC)c1ccc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)o1 408816641 UGWFVVVVGBZZKQ-FRJDLFPQSA-N 429.630 6.064 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)c2ccccc12 408911743 OGMCAFJHDLWCKB-YCJCGMCGSA-N 430.573 6.479 30 40 IKEB CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCC)c(OC)c2)C2=C1CCCC2=O 408919546 AVOBQINYBZRDGW-UHFFFAOYSA-N 443.971 5.571 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O 408939297 MGVBRIPYDRSOKU-YFEJFNSASA-N 444.962 6.940 30 40 IKEB COC(=O)c1ccc(/N=C\c2ccc(Sc3ccccc3NC(C)=O)c([N+](=O)[O-])c2)cc1 409120694 VSVQRYGKDSRMSV-OYKKKHCWSA-N 449.488 5.242 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c1 409201367 MDROIZXREBLLKJ-DHRITJCHSA-N 428.757 7.049 30 40 IKEB COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 409201631 NEILAQORBCUROZ-ZVHZXABRSA-N 439.309 5.226 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409211135 MXWAFUUPKVLPLY-VULFUBBASA-N 439.895 5.775 30 40 IKEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O)ccc2ccccc12 409283213 RIPHORLTOXDTAT-UHFFFAOYSA-N 436.309 5.023 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 853746 WYHRPDDRWYVJSZ-RLWLMLJZSA-N 445.559 5.399 30 40 IKEB C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nc2sc(C)c(C)c2c1=O 2622448 CKSPDTGVUYQFRE-UHFFFAOYSA-N 428.579 5.154 30 40 IKEB COc1ccc(NC(=O)c2ccccc2)cc1/N=C/c1ccc(C#Cc2ccccc2)cc1 2839608 LSBPYXKCEDTPQA-MWAVMZGNSA-N 430.507 6.098 30 40 IKEB biogenic CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 8811928 VCFMBHODYMNKIV-MZJWZYIUSA-N 443.374 6.403 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)c(OC)c1 8820945 JUWUUNUYMCKFNK-UDWIEESQSA-N 440.908 5.509 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 10035310 KQYMAEBHQWVZEK-DNOBIOAJSA-N 438.527 5.762 30 40 IKEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc(-n2cnc3ccccc32)cc1 12684781 RCDAMWAUGBPBAE-DTQAZKPQSA-N 431.499 5.369 30 40 IKEB Cc1cc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n2c(nc3ccccc32)c1C#N 13149708 UOGJGTCIRMLDAJ-UHFFFAOYSA-N 440.450 5.417 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(OC)c1OC 15018314 YTGHUEQUAJYCOS-NEYVJZCZSA-N 446.528 5.521 30 40 IKEB CN1/C(=C\C(=O)COC(=O)C(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 18101279 JSPOUWGZMBBAOW-BWAHOGKJSA-N 425.528 5.242 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCSc2ccccc2C)cc1 100283777 XPKWNPAKAFBXPE-UHFFFAOYSA-N 442.669 7.428 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 102895374 YYEFINMTJYEYEN-LFVOPCPISA-N 443.286 5.225 30 40 IKEB N=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[C@@H]1c1nccs1 108043445 SSVHSOCGXZOHPM-RBTJZALWSA-N 437.502 5.048 30 40 IKEB O=[N+]([O-])c1ccccc1NN=C(c1nc2ccccc2s1)c1nc2ccccc2s1 110476727 HMAIISRQGNOBER-UHFFFAOYSA-N 431.502 5.679 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1C1CCCCC1 408909875 FHQFWASLALZZBF-AJGXWLHTSA-N 432.633 7.309 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1OC 408915030 WPKXLOQPOPIABA-JLOZXLPYSA-N 438.593 6.195 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC 408933576 AWQXCYDXPHSWOB-JCZPZKDPSA-N 438.571 7.061 30 40 IKEB Cc1ccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409013772 VHOHCJLKDACPPC-WGOQTCKBSA-N 447.947 7.249 30 40 IKEB C=CCOc1c(I)cc(CNc2ccc(Cl)cc2)cc1OC 409180311 QRMCTRUPKTWDLP-UHFFFAOYSA-N 429.685 5.130 30 40 IKEB C=CCn1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc21 409308018 VXIHJNPUHLCQMZ-UHFFFAOYSA-N 444.494 5.833 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)cc1OC 409388348 UGEAETBIZSVDJI-WJGWSCHNSA-N 444.358 7.722 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)CCCOCCCC(F)(F)C(F)(F)C(F)(F)F 1565659615 BMSGCDWIFJFEAL-UHFFFAOYSA-N 438.199 6.229 30 40 IKEB S=C(N/N=C/c1ccc(Cl)cc1Cl)NC1c2ccccc2Oc2ccccc21 1951321 SMYQABHVRVYBGC-WYMPLXKRSA-N 428.344 5.687 30 40 IKEB C=CCOc1ccc(Br)c([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1 2746628 MLGUBIKPNRFAGR-QHCPKHFHSA-N 449.348 6.093 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(C)cc1C 3022295 AJHJMYGDAYPFNV-ZCGWOIPMSA-N 425.579 5.306 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)c1 6442956 DBKOVHVHAYCADO-XMMPIXPASA-N 430.548 5.246 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 8934997 PVARBKQSKGAMSW-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4F)c3C)C2=O)c2ccccc21 8993023 DEKYMZAPIJUBKE-AFUMVMLFSA-N 427.475 6.304 30 40 IKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Br)nc2c1C 13503490 GSSRVPCUZIKKDB-UHFFFAOYSA-N 426.339 5.217 30 40 IKEB COc1ccc(-c2csc(N/N=C3\C[C@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 17250732 YVCXIROPPVUFHA-YKMWHWIESA-N 441.556 6.467 30 40 IKEB COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1OC 20572603 KJCBMTPITIADGL-NEHMQNOASA-N 432.564 5.741 30 40 IKEB CC1=C(C)/C(=N\c2cccc(C(F)(F)F)c2)C=C(Nc2cccc(C(F)(F)F)c2)C1=O 96835762 LFZJSFASMKAPFA-MIXAMLLLSA-N 438.371 6.712 30 40 IKEB CCCCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC 100306513 KRNHORKJCBJXKK-UHFFFAOYSA-N 441.653 5.859 30 40 IKEB O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)/C1=C(\O)c1ccccc1 101069900 MTYHCNYORSVLJB-MRJHHRETSA-N 448.316 5.071 30 40 IKEB CCN1CC[C@](O)(/C=C\c2ccc(C(C)C)cc2)[C@H](C(=O)/C=C\c2ccc(C(C)C)cc2)C1 104318255 WZLWYHADODLHEK-WHQQEFSKSA-N 445.647 6.302 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12 253589462 FVWJYYTZTCVBKE-KFWWVMEXSA-N 442.728 6.997 30 40 IKEB endogenous,in-man Cc1cc(/C=N/C2=C[C@H]3C(=O)c4ccccc4C(=O)[C@@H]3C=C2)c(C)n1-c1ccc(N(C)C)cc1 408740695 LUTAOULZXCBFKV-AYJIWNBDSA-N 449.554 5.344 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 408859789 ZBMPVKPALAKNRM-KNVBRFRNSA-N 429.589 6.361 30 40 IKEB CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1cc(C)ccc1C 408909563 VFVPIIGPSWPOSN-FUQOYWQNSA-N 442.584 6.506 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N\Nc1ccc(C(F)(F)F)cc1 408931313 JWRYBWQKZQKUDY-SCDVKCJHSA-N 438.041 5.382 30 40 IKEB Clc1ccc(Sc2ccc(/C=N\c3ccccc3I)cc2)cc1 409069502 JHTGPWJULJTFPE-XKZIYDEJSA-N 449.744 6.846 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 409213741 SXDOTTFMJUREJM-VULFUBBASA-N 442.328 6.489 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C(C)C)cc1 409319969 OFHXNTBQVQEDEZ-UHFFFAOYSA-N 426.358 5.507 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccccc2)o1 409328144 ZRCBESNWGYQXEZ-UHFFFAOYSA-N 436.309 5.254 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(SC)cc1 409336256 RGZVZKKEDTZTMT-CYBMUJFWSA-N 430.371 5.277 30 40 IKEB N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 865634 DBSYBNNTKIBHEC-HZPDHXFCSA-N 445.832 5.321 30 40 IKEB C=C1C(c2ccccc2)=[N+](C2CCCCC2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 1829353 LQMAJFRCHHJTEF-URLMMPGGSA-N 434.603 6.674 30 40 IKEB CCc1ccc(NC(=O)C(C#N)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 3298806 QNTNCAPULDBWSN-UHFFFAOYSA-N 437.370 6.490 30 40 IKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1 3664870 VBXBPAYKTGQHJF-NKXCCORXSA-N 426.585 7.235 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)nc1 4048030 LENVLVPFRGGQQA-PGGKNCGUSA-N 435.242 5.461 30 40 IKEB CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cccc(C)n2)CC1 8744147 XNWNLMZAHUEURC-UHFFFAOYSA-N 438.579 5.040 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C)s2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 9113494 VVLLUTNDRUIFPM-MWTRTKDXSA-N 441.618 5.679 30 40 IKEB NC(=S)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 9311145 WBXNYLOYWSIGBV-JVWAILMASA-N 430.964 5.632 30 40 IKEB Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=N/Nc2nc3ccccc3s2)c1 9553663 ICYVYXZPHUTFGZ-BUVRLJJBSA-N 448.504 5.417 30 40 IKEB C/C(=N\Nc1nnc(C)c(N/N=C(\C)c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 9970910 SPHQJWXMLNENRF-DWGHPKEWSA-N 428.327 5.159 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 13563179 AKIZFOBIXPHFNG-GVAUOCQISA-N 435.914 5.624 30 40 IKEB COc1cccc(C(=O)/C=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c1 16035548 QEKOUUOOWCAIBD-RIYZIHGNSA-N 431.488 6.589 30 40 IKEB COc1cccc(/C=N/c2ccc3oc(-c4cc(Cl)c(OC)c(Cl)c4)nc3c2)c1O 16228147 AOLXADWVARZEPS-OPEKNORGSA-N 443.286 6.275 30 40 IKEB N#Cc1c(/C=C/c2cccs2)cc(-c2ccc(Cl)c(Cl)c2)n2c1nc1ccccc12 25391539 BPRJQQFJKNYWQO-VQHVLOKHSA-N 446.362 7.565 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3C)c2C)cc1 59427362 BYANYBPPPNWMFG-AFUMVMLFSA-N 439.353 6.092 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c(OC)c1 408723058 QAAVKRPBUQLARX-MFKUBSTISA-N 445.500 6.153 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=C/C(=O)c3ccccc3)c2-c2ccccc2)cc1 408733012 VAOMVURFDOFALI-ZBJSNUHESA-N 439.558 8.016 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 408739833 AVRDSXMYMPNBCP-BKUYFWCQSA-N 449.488 5.454 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 408752154 GFMBKAYKHGYISA-YBFXNURJSA-N 439.880 5.708 30 40 IKEB O=C(O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408852422 FOGNUHWLHGALEX-UFFVCSGVSA-N 436.714 6.296 30 40 IKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 408910180 GAXMBUXZCWFUOM-KWPJTZOTSA-N 430.573 5.944 30 40 IKEB O=C(Cn1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc21)Nc1ccc(Cl)cc1 408910456 KIXYJRDQZCQHDI-MXAYSNPKSA-N 447.882 5.288 30 40 IKEB Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccccc1Cl 408932081 SWGWSESWHNFAOR-RDRPBHBLSA-N 443.978 6.239 30 40 IKEB CC(C)c1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 409183079 ACZRLJWQUSKXAD-GPTKXHSTSA-N 439.603 6.311 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCC 409192409 WWYDZBYUGYKXSC-XSFVSMFZSA-N 443.952 6.107 30 40 IKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 409216517 ITRZFKUVFMNMLP-JVWAILMASA-N 446.344 6.941 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(Cl)cc1OC 409241503 XYAGUWMPUAGZND-GIJQJNRQSA-N 437.348 5.601 30 40 IKEB CC[C@H](C)Oc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409403500 IFYTUZGMMWGJOT-KRWDZBQOSA-N 442.475 5.031 30 40 IKEB CC(C)Oc1ccc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 1531138481 AADAIYJPNLFCKJ-CFRMEGHHSA-N 442.357 5.126 30 40 IKEB CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC 709539 JQNXMVSIJFLSCI-WTYVLRPYSA-N 440.543 6.073 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCc2ccccc21 1097887 MHCNBNAVEQKDDR-YZSQISJMSA-N 428.513 5.047 30 40 IKEB C=CCNC(=S)N/N=C/c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 2449261 QZKDVHUVNNHPQY-LGJNPRDNSA-N 446.016 5.343 30 40 IKEB Cc1ccc(/N=C/c2ccccc2OC(F)F)cc1/N=C/c1ccccc1OC(F)F 3236753 IUTJQOXKSJAXPJ-JOFLXYQRSA-N 430.401 6.699 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 6015354 QKGQXBXUUCDXJV-QHCPKHFHSA-N 434.561 5.024 30 40 IKEB Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 6442685 UMEWCIAJSNIUJY-WHSBFGAESA-N 449.615 5.357 30 40 IKEB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1cccc(Cl)c1C 9057212 TXCYZWNLXRPLJD-XIEYBQDHSA-N 444.347 5.616 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Br)cc1 9307781 HTSOMEOPNHBHRH-UHFFFAOYSA-N 430.371 5.406 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl 9380470 BFKTYGRUIHVHPY-XMMPIXPASA-N 445.946 6.555 30 40 IKEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9428050 BZGYMWPZTVCURX-LJQANCHMSA-N 428.271 5.365 30 40 IKEB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9575284 SCVOZDPFOPEBOP-YEJXKQKISA-N 441.314 5.954 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)c3c(c2C#N)CCCC3)cc1 12644470 LAKGZIWZKJOBAP-UHFFFAOYSA-N 447.991 6.192 30 40 IKEB CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)S1 12995504 DGCYXZULYTTZCP-OAQYLSRUSA-N 431.561 5.213 30 40 IKEB N#Cc1ccccc1OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 13018121 YNIKJMGORJMPEE-UHFFFAOYSA-N 443.503 5.433 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2sc(C)nc2c1 13306353 WBICKEASKIFVFD-QUOYTPRUSA-N 438.603 5.599 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 13552106 FFBZHSIFRFVTDC-FQEVSTJZSA-N 434.835 5.166 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 13660688 QMEMSEBRRLXLKM-UHFFFAOYSA-N 449.019 6.410 30 40 IKEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O 19720099 KCZZJOSFEXUPKS-LFVJCYFKSA-N 443.524 5.487 30 40 IKEB COc1ccc(CN/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC 20196196 XBYLEBLNYPVJLY-LGJNPRDNSA-N 432.351 5.542 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)SC1=S 26675944 OWUUPQCEIDHYNN-UYRXBGFRSA-N 445.993 5.705 30 40 IKEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 33707395 IWARIQKHQFILEX-STBIYBPSSA-N 431.576 6.235 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 33733309 YQMODNPEJLMUOM-MRXNPFEDSA-N 426.973 5.209 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 43721509 FVWJYYTZTCVBKE-HBQDOYKASA-N 442.728 6.997 30 40 IKEB in-man CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c(C)c2s1 72228631 PEBBVULNTXHCLZ-UHFFFAOYSA-N 428.561 6.640 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCN(C)C3 97951208 DOUVWBOLMGILIQ-UHFFFAOYSA-N 441.666 5.806 30 40 IKEB CCCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 97954160 XUOVDNGQFJTUMM-QHCPKHFHSA-N 431.624 7.006 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 102805936 ITVKISHVGHKKJA-YDJIHCHBSA-N 434.835 5.009 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)O[C@H](Cc1ccccc1)C(=O)O 104255560 LMWLCVFSYZGFDM-RUZDIDTESA-N 432.645 7.487 30 40 IKEB CCCCCCCCCCCCOc1ccc(/C(=N\NC(=N)N)c2ccccc2)c(O)c1 104391349 SFKBCHSNVQZYJD-GNVQSUKOSA-N 438.616 5.927 30 40 IKEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(O)c1 408785907 JOHDZFIGPHQOJD-YVLHZVERSA-N 436.364 5.437 30 40 IKEB CCOc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1ccc(Cl)c(Cl)c1 408855128 CHSHGYMUEWNPEK-LSHDLFTRSA-N 437.352 5.042 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1C[C@H]1CCCO1 408961338 RRWKAHGHBRMJLQ-MXVFCOJPSA-N 433.577 5.070 30 40 IKEB N#Cc1ccccc1Cn1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409034566 HWLPVWWJFWLUNM-DANHRZQXSA-N 442.338 5.275 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(C)cc1 409128296 FDWOZVGTIXJFIL-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Cl)cc1 409215765 FCEHJFVVKDYUQZ-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)c2C#N)C1 3187544 IHTOWHBDBBZZOW-HNNXBMFYSA-N 436.964 6.229 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 3664880 JAHNEERZSBIKFN-GAMAWZARSA-N 433.382 7.879 30 40 IKEB CCCCCCCCCCCCS[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 8383736 NJFWYAAGQUJNNQ-FQEVSTJZSA-N 444.468 7.279 30 40 IKEB CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC 8424639 HLPHUYUNNXZMJI-UHFFFAOYSA-N 436.666 5.627 30 40 IKEB Clc1ccc(CO/N=C/c2c(SCc3ccccc3)nc3sccn23)cc1Cl 8855380 WLWXWUHKOMNEJP-FOKLQQMPSA-N 448.400 6.546 30 40 IKEB CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 9562810 DHNKGZRZFTXMAC-QHCPKHFHSA-N 440.572 5.180 30 40 IKEB C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccc(Cl)cc1 9632601 XRLURZCWJZAZFN-UHFFFAOYSA-N 437.952 5.800 30 40 IKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 13842950 OMVPGJPLOTWVBO-UHFFFAOYSA-N 436.581 5.206 30 40 IKEB CCOC(=O)c1sc2c(c1C)[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 14066217 ZCBFXFOIOCFPBC-IBGZPJMESA-N 439.533 5.163 30 40 IKEB CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 21721912 FBHFHRWRQHGBFV-SANMLTNESA-N 431.580 5.138 30 40 IKEB CC(=O)c1cc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc1C 32672381 VHDVBCIALQYSMX-UHFFFAOYSA-N 431.542 5.386 30 40 IKEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)o1 100507491 BBGRMMLGMSPOBT-VULFUBBASA-N 443.846 7.067 30 40 IKEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 100775912 LZFWNEIASLXRKR-XYGWBWBKSA-N 440.543 5.588 30 40 IKEB Cc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)[C@H](C)CC(C)(C)N2C(C)C 223611436 CFWZJHUKQBKNHS-CIXXEJBXSA-N 426.604 8.039 30 40 IKEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 226336402 HUTAAARNVKCQLN-QPJJXVBHSA-N 425.695 5.424 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O 252623210 OMJIZRMQBBHMOY-WFJQYXISSA-N 441.453 7.444 30 40 IKEB biogenic Cc1cc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)ccc1I 408773298 UUIKYJYZXYDAJN-WSDLNYQXSA-N 430.289 5.463 30 40 IKEB CCOc1ccc(/C=N/c2cccc(Br)c2)cc1I 408903914 BEBWNDPUVQYIOS-VCHYOVAHSA-N 430.083 5.203 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)N1C1CCCCC1 408912279 MURLYSKUTMAROI-OQNHBUHUSA-N 449.576 6.402 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccc(C)cc1 408914730 VYDXNKOKUHDWKS-AJGXWLHTSA-N 442.584 6.588 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)o1 408962448 SFYHMUSZOBBHTH-OBBBTXPFSA-N 436.464 5.326 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br 409179195 QHVOIXQZWNPNSS-UHFFFAOYSA-N 431.555 6.042 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409209497 FXWNLQKACOEWFL-BUVRLJJBSA-N 435.436 6.007 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1 409218602 WCIOHTLKQMVUQB-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CCCCCCCC1CCC(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)CC1 1082201996 MWCABNODAYEZMZ-UHFFFAOYSA-N 440.540 7.930 30 40 IKEB CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384809 MSXUHDJOLXBLBR-GNYKCMPYSA-N 442.475 5.031 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc(Oc2ccccc2)c1 1459780 QKJLPLLSTSADJN-XMMPIXPASA-N 437.495 5.610 30 40 IKEB Oc1ccccc1/C=N/c1ccccc1OCOc1ccccc1/N=C/c1ccccc1O 3146717 RMQMPNIWQXZDMF-POAOKBCDSA-N 438.483 6.014 30 40 IKEB C=CCn1c(Sc2nc(CN3CCCCC3)nc3sc(C)c(C)c23)nnc1C1CC1 13003528 VJOZMBWLUBVMIL-UHFFFAOYSA-N 440.642 5.100 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C#N)C1 17096128 QDCGXDOIVZLMAF-NJAFHUGGSA-N 428.598 5.547 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 18195189 XMGNDLKGRYGTTB-MQNRADLISA-N 440.524 5.834 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cccc(Cl)c1 20503313 GVCOSNNIEQJSJB-VWLOTQADSA-N 447.922 5.552 30 40 IKEB Cc1ccc(CN2c3ccsc3C(=O)/C(=C/Nc3cccc(Cl)c3)S2(=O)=O)cc1 20575671 DMUHXMDTHMGMTA-UNOMPAQXSA-N 444.965 5.196 30 40 IKEB COc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1Br 59224308 MTBOVMSYTDBXLU-PXNMLYILSA-N 437.746 5.311 30 40 IKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)s1 100388206 PGYRRRXXHPHWPZ-WNIMSWJZSA-N 443.597 6.385 30 40 IKEB CCCCCCCCCCC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1O 100934004 YLUKOOAOKITTJJ-PNHLSOANSA-N 425.573 7.346 30 40 IKEB CCCCCCCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 102560359 PHLZTCZCSPTVNT-SANMLTNESA-N 431.580 5.498 30 40 IKEB CCCCCCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 102818155 OEQDYQIGOFDMBO-UHFFFAOYSA-N 448.542 6.202 30 40 IKEB N=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)[C@@H]1c1nccs1 107885216 HDAMQXPQWBSUKO-HTIFSWEISA-N 433.533 5.703 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)S2)cc1 223534516 KSCMMWJSUILPFI-XYLCRUHJSA-N 449.620 6.089 30 40 IKEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 224376780 VDEVGWINHZPMFQ-NRFANRHFSA-N 448.588 5.176 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)cc1 408529924 HYCZURZHTLUXQG-HMAPJEAMSA-N 445.500 5.374 30 40 IKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(C)cc1 408594635 IXECWDPSFCBRAX-RWPZCVJISA-N 434.923 6.049 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 408652371 HXRCUCHKZGCVAH-JXMROGBWSA-N 428.238 5.522 30 40 IKEB CC(=O)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408740118 IIIZRMSXNSJGER-WEMUVCOSSA-N 440.546 7.765 30 40 IKEB O=[N+]([O-])c1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408821657 JWIOAPQHMSEJHN-JMIUGGIZSA-N 437.702 6.506 30 40 IKEB CC(C)c1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408847591 NQCSTQVEWKFDDE-FSJBWODESA-N 434.786 7.721 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1 408976753 RZLLGWMROMXORG-FXBPSFAMSA-N 436.548 6.424 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC(C)C 409101417 TWXYYGYCMXKPGE-YSURURNPSA-N 445.825 5.899 30 40 IKEB Fc1cccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 409199800 DMUNGRYSBBLUEZ-STBIYBPSSA-N 431.894 7.601 30 40 IKEB CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1066935 JOSQWVUJSQNGPM-QHCPKHFHSA-N 446.934 5.185 30 40 IKEB N=C(Nc1cccc2ccccc12)SCCCS/C(N)=N/c1cccc2ccccc12 1668754 VJUGJMXYRZJXSZ-UHFFFAOYSA-N 444.629 6.843 30 40 IKEB CCOC(=O)c1cc(C#N)c(SCc2ccc(Cl)cc2Cl)nc1-c1ccccc1 3104581 AZSKCYGQXVDNIA-UHFFFAOYSA-N 443.355 6.396 30 40 IKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2sccc2C)[C@@H]3c2ccccc2)cc1 3133481 CKXIMKVRRMPBQZ-LMTOTAIGSA-N 438.548 7.269 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1 4119366 PIOLVQGEXCLVMJ-AFUMVMLFSA-N 435.480 5.499 30 40 IKEB C=CCCCCCCCCC(=O)Nc1cccc(NC(=O)CCCCCCCCC=C)n1 4631052 LJAPGEFYDLJXSO-UHFFFAOYSA-N 441.660 7.572 30 40 IKEB C/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9334948 ZJLOVFYQNIAMQS-OYKKKHCWSA-N 448.435 6.238 30 40 IKEB C=CCn1c(SCc2ccc(C(=O)OC)o2)nc2scc(-c3cccs3)c2c1=O 9883539 LODBQIIEKSLDTD-UHFFFAOYSA-N 444.559 5.044 30 40 IKEB N#CC1(C#N)[C@H](c2ccccc2F)[C@@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@@H]21 12377406 GJHMSCUNAQONKE-SDHSZQHLSA-N 437.449 5.249 30 40 IKEB CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 14606469 VDYGLSFXKAXVJB-XMMPIXPASA-N 437.609 5.137 30 40 IKEB CC(C)N1C(=O)/C(=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 15019367 JEYCGKAETNYKFZ-HPNDGRJYSA-N 447.560 5.026 30 40 IKEB CSc1ccc(/C=C/C(=O)N2/C(=N/c3ccc(C)cc3)SCc3ccccc32)cc1 16043916 HYGJKYQQDMLYKN-GFFINWJESA-N 430.598 6.698 30 40 IKEB Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 21722030 CQUACJYGCKLNBJ-AREMUKBSSA-N 443.572 5.676 30 40 IKEB COc1ccc(O)c(/C=N/c2cccc3c(/N=C/c4cc(OC)ccc4O)cccc23)c1 21963946 OYODQKJELBTVFE-DPCVLPDWSA-N 426.472 5.769 30 40 IKEB C=C(CCC)C1=C(C)C=C2C/C(=C\c3cccc4ccccc34)C(=C)[C@H]2[C@@H]1c1ccccc1 54198336 HVURUKJRTJKPJS-YIVFGNFBSA-N 428.619 9.196 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463744 TVTSMDVOHXTRBQ-AFUMVMLFSA-N 449.919 6.798 30 40 IKEB CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 97952917 RNKOBFACQDCZQT-QHCPKHFHSA-N 431.624 7.006 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102520857 IGKKIKNXSKMWIB-HOGKFDNTSA-N 446.572 5.818 30 40 IKEB CCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(NC(C)=O)cc2)n1C 104108288 BQLTWPDERFANPE-UHFFFAOYSA-N 441.660 6.768 30 40 IKEB CCCCCCCCSCCCCCCCCCCCSCCCCCCCC 104134635 MGSRDTFQTCTRPT-UHFFFAOYSA-N 444.879 10.685 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc21 223484534 VCPNZXLBOPGKPA-KHHYFDFNSA-N 431.605 6.331 30 40 IKEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224619094 IBTCEMBUJAHQHO-UHFFFAOYSA-N 441.163 5.690 30 40 IKEB CC(C)(C)OC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(/N=C\c2cncnc2)c1 230587340 DFENTOUMMDWZAF-FDVSRXAVSA-N 432.568 5.563 30 40 IKEB CN1C2=C(C(=O)CCC2)C(c2cn(Cc3ccccc3)c3ccccc23)C2=C1CCCC2=O 408900190 XKOUHWMSRXHAOW-UHFFFAOYSA-N 436.555 5.733 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccc(F)cc1 409075679 ZVBGKNSPFFJDFT-KGENOOAVSA-N 441.524 5.588 30 40 IKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2ccccc2OC)cc1 409105593 LJAWHBNMKRODRD-OVVQPSECSA-N 432.520 5.856 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 409212540 QXAGRUVSXJURAH-OGLMXYFKSA-N 444.372 7.494 30 40 IKEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1C#N 409212923 RUNQPVTXMPTOAU-SACJYJSVSA-N 449.576 5.235 30 40 IKEB Cc1ccccc1-n1cccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409288381 GTYKXUIFCZPQFE-UHFFFAOYSA-N 444.494 5.791 30 40 IKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1c[nH]c2ccccc12 409304985 LHRKZWKJJALIJP-UHFFFAOYSA-N 438.874 5.827 30 40 IKEB O=C1SC[C@H](Cc2ccccc2)N1C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F 2396083 PYZXFBJYZYNMCU-VIFPVBQESA-N 435.311 5.502 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3Cl)n2)cc1 8445819 ZTGDFZYDZGVDIW-UHFFFAOYSA-N 426.972 7.541 30 40 IKEB C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1O 9096075 XIXVULHATPSHKV-LBPRGKRZSA-N 449.363 5.263 30 40 IKEB COCCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)S/C1=N\c1ccccc1 9311547 JNZDVOKXDPDMSP-VSMSAFETSA-N 436.558 5.681 30 40 IKEB CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(N2CCOCC2)cc1 9720632 UHNDKKPQBIPCFW-JDQSIPCVSA-N 435.593 5.055 30 40 IKEB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccccc3)S2)c1 9762927 JEUWQKBPCPMTGM-PQHDRGKASA-N 443.572 5.198 30 40 IKEB CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cc(Cl)cc32)=C(O)C1 9975020 ORJOZNAROYTULK-GOSISDBHSA-N 435.347 6.314 30 40 IKEB C=CCn1c(SCC(=O)NC2CCCCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 14356548 FFIVYPAQXACZGV-UHFFFAOYSA-N 440.657 5.750 30 40 IKEB Cc1c(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c(O)n2c(nc3ccccc32)c1C#N 16249469 WEPWUHCHSCUQMQ-RWPZCVJISA-N 443.938 5.768 30 40 IKEB COc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1OC 20196385 JWPWGKLTTXNKHC-LGJNPRDNSA-N 445.346 5.713 30 40 IKEB CCOc1cc(/C=C/C(=O)c2sc(C)nc2C)ccc1OCC(=O)Nc1ccccc1 32831725 SUOLTEWZPRVXGI-ZRDIBKRKSA-N 436.533 5.072 30 40 IKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c1C 59105967 GTCHTWKHJWTDAM-CIAFOILYSA-N 439.943 6.087 30 40 IKEB Brc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 59471643 JURCQCLMERDIMU-IJOHZJHPSA-N 429.361 7.026 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1Sc1ccccc1 107880870 AZLGPXAVDFYZLD-TURZUDJPSA-N 433.536 6.097 30 40 IKEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 224741855 WBVPVUFVJKYNFP-UHFFFAOYSA-N 436.371 5.152 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)CC(C)(C)C)CC1 257315104 UZXWEEHKVDHJLN-UHFFFAOYSA-N 446.635 5.552 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 408910946 IDIXHGJWNYHPJY-CXPRPJQYSA-N 429.383 6.160 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c1C 408967251 POESZGQRUJEYPA-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB COc1cccc(/C=N/c2cccc(Br)c2)c1OCc1ccc(C(=O)O)cc1 409186577 DZCBEBSQQQBTDK-ZMOGYAJESA-N 440.293 5.486 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2F)c(Br)c1 409209865 JNZLKOZEVGKENE-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CCc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 409209892 GSAKDSRMKLSNTA-UVHMKAGCSA-N 448.828 7.372 30 40 IKEB O=S(=O)(Oc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1)c1ccccc1 409215509 ADWWFKVFKNSZCT-LGUFXXKBSA-N 429.497 5.997 30 40 IKEB C=CCc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(OC)c1OCC 409288184 DOPZIVGIJNGZTQ-UHFFFAOYSA-N 445.563 5.462 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 710782 WUMXPTFQJQQTPD-NPMXOYFQSA-N 440.490 6.746 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C 2084846 PIYTUXFPRDSHRQ-PNTLFUMMSA-N 428.557 6.434 30 40 IKEB C=CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 2403116 JYEZQAIALKNHMA-NRFANRHFSA-N 448.862 5.057 30 40 IKEB C=CCOc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1 8915591 SWSWSWGJJBWXGI-HKOYGPOVSA-N 439.511 6.603 30 40 IKEB COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 9374635 QAUAXJHIFMEREE-JOCHJYFZSA-N 449.890 5.146 30 40 IKEB Cc1cc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)c(C)n1C1CCCC1 12559275 ACPQMLMLGRDRSJ-FSJBWODESA-N 443.414 6.552 30 40 IKEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(-c2ccccc2)n1 13597268 DIDVQQHUMYJCEX-CUVCNJFMSA-N 447.644 6.396 30 40 IKEB in-vitro CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4s3)c2C#N)C1 14067160 GTWRDYRVVYGAOI-CYBMUJFWSA-N 441.647 6.111 30 40 IKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(OC)c(OC)c1 14083646 UNMBHVOOHWFYPA-UHFFFAOYSA-N 446.370 5.203 30 40 IKEB COC(=O)c1ccc(NC(=O)c2c(/N=C/c3sccc3C)sc3c2CCCC3)cc1 15945842 DINSFMWNCIFAIH-ZMOGYAJESA-N 438.574 5.786 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)c1ccccc1 20242129 XAXFCJWGCCHXCZ-AJBULDERSA-N 435.567 7.124 30 40 IKEB Cc1ccc(CN2c3ccsc3C(=O)/C(=C/Nc3ccc(Cl)cc3)S2(=O)=O)cc1 20575672 ODLCHQYFKXIPSI-UNOMPAQXSA-N 444.965 5.196 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 58884132 NWUZMMIKVPHCJT-MSIOFZDNSA-N 448.910 5.015 30 40 IKEB CCOc1cc(/C=C2/C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1Cl 59399007 JJMUFOIFNSRFEB-XSFVSMFZSA-N 433.891 5.662 30 40 IKEB COc1ccc(Cl)cc1NC(=O)c1c(/N=C/c2ccncc2)sc2c1CCCC2 101892592 AHNBDHRWQSJQSB-DHRITJCHSA-N 425.941 5.687 30 40 IKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Br)cc1 408772486 LYDGUVBODKQRFC-PCLIKHOPSA-N 438.369 5.444 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)c1C 408774542 MGGRRLAIJRHZMT-XKZIYDEJSA-N 435.980 6.256 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 408819115 ZNGGZFSGODQMSW-UCQKPKSFSA-N 427.504 5.720 30 40 IKEB Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc2ccccc2c1 409031067 GGTCEHNJJPRFGG-FXMZOFOKSA-N 431.355 5.961 30 40 IKEB CCOc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 409198923 AGZUNYOPSPQEIB-WGARJPEWSA-N 430.382 6.555 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409213628 VEAWHVCUMNBBSN-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB COc1ccc(/C=C2/S/C(=N\N=C\c3ccccc3)N(/N=C/c3ccccc3)C2=O)cc1 1529826734 NSYKGOPTNMOUEH-ZEGPKIOGSA-N 440.528 5.036 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(F)cc2)[C@H](C)O[C@@H]1c1c(OCC(=O)O)cc(C)c(Cl)c1C 2037874770 BJXQZUABTKVORS-HOKASXAUSA-N 446.946 6.385 30 40 IKEB Cc1c(/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C 852002 YNWCYTDBTOASTG-MZJWZYIUSA-N 425.410 5.514 30 40 IKEB CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1077207 RBQJCXIQDJZMJG-NFQMXDRXSA-N 426.585 6.696 30 40 IKEB C[C@H](NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 1304560 ZTAJNUUCTRKCMJ-HRQGHCQOSA-N 429.545 5.090 30 40 IKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1 1952140 KJUFOAQBWVFGPE-CGIFWJFOSA-N 448.276 6.581 30 40 IKEB N#Cc1c(N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2 2678388 MDOCUJBIZRLWOL-QGZVFWFLSA-N 446.762 5.176 30 40 IKEB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 3171736 CKFCGVWAOXBROO-CQSZACIVSA-N 429.263 5.412 30 40 IKEB C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1c(F)cccc1F 3364571 VVYQDDOIXCWRIX-UHFFFAOYSA-N 449.526 6.281 30 40 IKEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cn4)c3C)S2)cc1 9311843 QERIFUGHCXVIIM-FYJGNVAPSA-N 432.549 5.088 30 40 IKEB Cc1cccc(OCCn2cc(/C=N/NC(=S)NCc3ccccc3)c3ccccc32)c1 9553942 VOEQSOJKNXJFMI-MTDXEUNCSA-N 442.588 5.027 30 40 IKEB N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)nc1 12748660 LHPTUPVMKAOIDX-UHFFFAOYSA-N 428.304 5.311 30 40 IKEB C=C(C)CSc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)s1 12872201 PMAYXGWAJWGKOJ-LJQANCHMSA-N 441.647 6.295 30 40 IKEB C[C@@H](c1ccccc1)N1C(=S)N/C(=N\[C@H](COc2ccccc2)C(C)(C)C)C12CCCC2 15162222 IYPSBYONHMKVCN-NZQKXSOJSA-N 449.664 6.143 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 18250734 AKKBVQSJPCVNPB-CRICUBBOSA-N 432.520 5.808 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 19990636 KLNSCUYDKJOSQS-OAQYLSRUSA-N 434.363 5.837 30 40 IKEB Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 21722222 DORAZSQIUSYLDV-VWLOTQADSA-N 441.531 6.437 30 40 IKEB O=C1C(=CC2=C3OC(c4ccccc4)=CC(c4ccccc4)=C3CCC2)C(=O)c2ccccc21 27515367 HPNOHYFNTFMNKT-UHFFFAOYSA-N 442.514 6.955 30 40 IKEB CCCCCCCCCCS(=O)(=O)Nc1ccc(OC(=O)CCCCCCC)cc1 33354450 XBEMKOFMQSJGCM-UHFFFAOYSA-N 439.662 6.835 30 40 IKEB C=CCN(CC=C)C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 33571712 WOHOXFAINCVARP-UHFFFAOYSA-N 436.544 5.250 30 40 IKEB Cc1ccnc(-n2c(C)cc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1 107599325 LQNCPJLZHXLKTJ-STBIYBPSSA-N 433.515 5.057 30 40 IKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 144415244 HHNIECWTFSPXAT-WPWMEQJKSA-N 429.545 5.159 30 40 IKEB CCOc1cc(/C=C2\CCCC/C(=C(/O)C(F)(F)F)C2=O)cc(Br)c1O 408563170 JHHUJOCQRCDDTC-SFXQBQATSA-N 435.236 5.454 30 40 IKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(OCc4ccccc4Cl)cc3)nc1-2 409042220 BWFTWOFAPYWYHA-VYYCAZPPSA-N 446.959 6.706 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)C1=O 409072301 JPXKWCMUGDOIRX-WOJGMQOQSA-N 448.313 5.390 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409202707 UCDCQNZBSWVAJL-FSJBWODESA-N 441.827 6.016 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccc(OC)cc1 409235549 CAEUTKJJSGSQCV-RWBSCQHUSA-N 444.556 5.898 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2c(C#N)c3nc4ccccc4nc3n2C2CCCCC2)cc1 2312975 KXDWMRAHMLIZHG-UHFFFAOYSA-N 445.548 5.071 30 40 IKEB Cc1cc(C)c(C#N)c(SCCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)n1 2889158 ZOCHWCCVEXWTKD-UHFFFAOYSA-N 444.585 5.968 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 3102947 QEJSRCALHGNRCK-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(-c2nc3c(C)cccc3o2)cc1 3114234 WVHKKIKIKBSWKU-OPEKNORGSA-N 435.867 6.438 30 40 IKEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCC(C)CC1 4311475 ZGHHYFNDDMTZKI-FRRISVFZSA-N 441.656 6.396 30 40 IKEB biogenic COc1cccc2cc(-c3csc(N/N=C(\C)c4ccc(Cl)cc4)n3)c(=O)oc12 8432762 FVZDCSUEUKYLHR-WYMPLXKRSA-N 425.897 5.415 30 40 IKEB CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 8741464 VXPYLFGBYLCGDV-OAQYLSRUSA-N 432.545 5.219 30 40 IKEB COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 9262679 FNPJMKFKRIOTNQ-BRJLIKDPSA-N 430.287 6.030 30 40 IKEB Cc1ccc(Cl)cc1-c1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)o1 13548723 BFHPEEGDNAPDDT-YBFXNURJSA-N 429.328 6.453 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Cl)c(O)c(Br)c3)S2)cc1 13881431 RYZREASCUNZZFH-OQLLNIDSSA-N 437.746 5.262 30 40 IKEB CC(=O)C1=C(C)N[C@H](c2ccc(Cl)c(Cl)c2)N[C@H]1c1ccc(Cl)c(Cl)c1 19339435 FOUPCSKNFATMEY-OALUTQOASA-N 430.162 6.096 30 40 IKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O 20647119 YQNUFVWNSQQJSQ-AFUMVMLFSA-N 448.563 5.614 30 40 IKEB N#CCn1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c2ccccc21 33770814 WSWYJFNRPPEDKV-NMRWETQTSA-N 446.620 6.103 30 40 IKEB COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 57589891 LHVPKWLJSJYRAH-RUZDIDTESA-N 427.504 5.515 30 40 IKEB C=CCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc(C(=O)OCC)cs1 58026812 PJEAMCRVTKLRHW-UHFFFAOYSA-N 449.557 5.429 30 40 IKEB O=C1CCCC2=C1C(c1cccc(OCc3ccc(Cl)cc3)c1)C1=C(CCCC1=O)N2 59193516 FBBRPIBTLCDCMU-UHFFFAOYSA-N 433.935 5.620 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccc(F)cc3)cnn1[C@H]2c1ccc(F)cc1 64873964 SIMFEUSQLHGFRY-QFIPXVFZSA-N 448.473 5.072 30 40 IKEB Cc1cc(-c2ccc(/C=C3\SC(=Nc4ccccc4C)NC3=O)o2)c(C)c([N+](=O)[O-])c1 408721263 NSZWELDFXHHWLO-MTJSOVHGSA-N 433.489 5.672 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1531385732 VBDSSPMWSDMFSI-WGOQTCKBSA-N 436.427 5.114 30 40 IKEB COc1ccc(/N=C/c2ccc(Sc3cccc4ncccc34)c([N+](=O)[O-])c2)c(OC)c1 705074 OVSQYMFBIHQCPB-CVKSISIWSA-N 445.500 6.062 30 40 IKEB C(=N/N(Cc1ccccc1)CN(Cc1ccccc1)/N=C/c1ccccc1)\c1ccccc1 1703380 SFCSLWUSEWVDOK-KZOHAVLASA-N 432.571 6.017 30 40 IKEB O=C(/C=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1Cl 2388805 SLYVPOZHJCOETN-VOTSOKGWSA-N 429.269 5.531 30 40 IKEB N#Cc1ccc(-c2csc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)n2)cc1 3375417 XVWXPKINFLUORP-UHFFFAOYSA-N 438.537 6.211 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(-c2ccccc2)cc1 6015221 JAWWFVQQVILJMR-VWLOTQADSA-N 431.535 6.291 30 40 IKEB CCOc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 8763950 INMBJBTYRUWKEK-ZONZVBGPSA-N 445.522 5.370 30 40 IKEB COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 9281037 GATAVEFWMRFZKW-FMCGGJTJSA-N 438.838 5.366 30 40 IKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3cc(C(F)(F)F)ccc3Cl)n2)c(C)c1 9404405 DZPKXATYOCIURL-OGLMXYFKSA-N 434.874 6.439 30 40 IKEB CC(C)(C)[C@@H]1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(C(F)(F)F)c2C1 9423048 XAFSHQILHXJWIC-CQSZACIVSA-N 438.946 7.069 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/Nc3nc(-c4ccccc4)cs3)cc2)cc1 14257465 VNXMVKTYCHYYOF-BUVRLJJBSA-N 449.557 5.332 30 40 IKEB CN1/C(=C\C(=O)CSc2nnc(Nc3ccccc3F)s2)C(C)(C)c2ccccc21 18086554 FBJQGLPGOXQIQO-UNOMPAQXSA-N 440.569 5.394 30 40 IKEB Cc1cccc(CN2c3ccccc3C(=O)/C(=C/Nc3cccc(Cl)c3)S2(=O)=O)c1 20132693 AVHJOCWMEUDNDD-HMAPJEAMSA-N 438.936 5.135 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1ccccc1 21722079 YTQOWEQCYKXAEZ-AREMUKBSSA-N 437.543 6.535 30 40 IKEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cccc(Br)c1 35623330 XDVQKYZJCLHCDN-NTEUORMPSA-N 438.144 5.103 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc2c(c1)-c1ccccc1C2 39377192 UJOANJUWHUYRPS-WJOKGBTCSA-N 441.574 7.721 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 101315501 JNAAZPVXVYVNER-PEECDGGASA-N 431.319 5.224 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O 101650380 MQLYADJYKHEJQJ-CULCSUMMSA-N 440.327 5.031 30 40 IKEB CCOC(=O)N1C=C[C@@H]2C=C[C@@H]1[C@@]1(C)C(=O)C(C)=C(c3ccccc3)[C@]21c1ccccc1 104277750 ZLEIAUDTJAGXJQ-NPLHHVMXSA-N 425.528 5.528 30 40 IKEB N=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[C@H]1c1nccs1 136515994 XWEDTQDXFPCRRJ-LVRGXITISA-N 431.882 5.383 30 40 IKEB Cc1cc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1I 408758338 JAMTVGKQCUDQHR-FMCGGJTJSA-N 448.735 6.411 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 408973521 BHKKZVWXWRSEIK-OVVQPSECSA-N 442.544 6.838 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc(C(C)C)cc3)sc2-c2ccccc2)cc1C 408976556 RKZZKPXYIFABLP-OGLMXYFKSA-N 425.601 7.663 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2nc3ccccc3s2)o1 408994279 YXLQZVMKZCHIGS-ATVHPVEESA-N 435.555 5.932 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 409037985 OGIDTBJSNHSESO-WMDMUMDLSA-N 428.735 5.633 30 40 IKEB C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)\c1cccc(OCc2ccccc2)c1 409074884 NSJDGWVBTVZLHV-MWAVMZGNSA-N 429.523 6.869 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)S1 409120279 UWGHDLVIOBBYFO-UNOMPAQXSA-N 437.908 5.029 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 409199316 CGHHNIJHEXLQIQ-JFLMPSFJSA-N 427.903 6.606 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 409203432 WHKAQGCGBAIGHO-VULFUBBASA-N 442.328 6.489 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccn3Cc3ccccc3[N+](=O)[O-])c2C#N)C1 409203865 ZJHYSBMLIANJJP-AKDVYYJXSA-N 446.576 6.279 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 409215680 DKFYUOMAAVGYCN-BUVRLJJBSA-N 429.925 5.429 30 40 IKEB C=C(C)COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OCC 651597 WIQOQWWTANIOJY-WQRHYEAKSA-N 442.309 5.147 30 40 IKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/N1CCCC1 2622251 ZXXINQMANVQBOA-DFKUXCBWSA-N 430.555 6.498 30 40 IKEB O=P1(N=C(c2ccccc2)c2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3168565 PAVIJMZOGJQURT-UHFFFAOYSA-N 447.474 7.830 30 40 IKEB CNc1nc(N/N=C/c2cccc3ccccc23)nc(Nc2cccc(C(F)(F)F)c2)n1 8872943 QYLLDAJXAXGQDC-UVHMKAGCSA-N 437.429 5.275 30 40 IKEB CN1CCc2c(sc(/N=C/c3cc(Cl)cc(Cl)c3O)c2C(=O)OC(C)(C)C)C1 8921738 XYNMDSZMAULTIW-NUGSKGIGSA-N 441.380 5.454 30 40 IKEB Cc1c(C(=O)N/C=N/OCc2c(F)cccc2Cl)sc(C#N)c1-c1ccccc1 8925817 KQSVANSEYKWLOB-UHFFFAOYSA-N 427.888 5.278 30 40 IKEB C=CCN(C(=O)CSc1nnc(Cc2ccccc2)o1)c1nc(-c2ccccc2)cs1 8966283 IITVMJLXJKBFMV-UHFFFAOYSA-N 448.573 5.095 30 40 IKEB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccccc2O)cc1 19855668 WKANMMLBJFUUSD-ZXVVBBHZSA-N 442.540 5.538 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1F 26458892 ZVGPQTYFCIDOCY-QHCPKHFHSA-N 449.478 5.329 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2-c2ccccc2S1(=O)=O 33271922 ZMEVESTVFNKVKQ-UHFFFAOYSA-N 438.936 5.262 30 40 IKEB COC(=O)c1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 59500714 BGEAOHRYQRFXKS-VULFUBBASA-N 449.915 6.311 30 40 IKEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 59503511 OGHFRPVDZHCOGX-SIDNSYPESA-N 427.573 6.341 30 40 IKEB CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1 97951296 ZVXXFMFDGXVLQZ-SANMLTNESA-N 441.656 7.452 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 100058914 KJGSPWJKVJURLX-OAQYLSRUSA-N 426.601 7.097 30 40 IKEB CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O 102241475 OXIDXMADHDNRSN-UHFFFAOYSA-N 437.588 5.765 30 40 IKEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102929401 NOTJRJLLRHSPHC-ZHHPLPSFSA-N 446.934 5.480 30 40 IKEB CCCCCCCCCCCCCCCC1=NN(c2nc3ccc(N)cc3s2)C(=O)C1 104140608 HNRCSLGXODUIDY-UHFFFAOYSA-N 442.673 7.453 30 40 IKEB CCCCCCCCCCCCCCCCOc1ccc(C2=NC[C@H](C)S2)c(C)c1 104153813 YRSQGRWPEDPNOO-DEOSSOPVSA-N 431.730 8.737 30 40 IKEB CC(C)c1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c2c1CCCC2 170622730 VDHBXONAYWNDKP-UHFFFAOYSA-N 429.383 5.693 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccc(F)c(Cl)c1 408610615 QQONCPHEODQNQX-UHFFFAOYSA-N 447.529 5.628 30 40 IKEB CCCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 408908993 BIVWJKQYXIDPOD-XFKFKZEQSA-N 430.957 5.767 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)nc1 408910969 MIWSECCDCGIDNM-WGARJPEWSA-N 432.867 5.821 30 40 IKEB Clc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1Cl 408931508 MNWTYHQYNOJHAH-JVWAILMASA-N 441.358 6.160 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC 408933571 AWQXCYDXPHSWOB-BRGLFVENSA-N 438.571 7.061 30 40 IKEB C=CCN(CC=C)C(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408979799 OOEJZHKYTNZOKM-UHFFFAOYSA-N 432.574 6.293 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)cc1 409011917 PCZYDCUELMFUPR-NSUZWAMQSA-N 437.746 5.345 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S/C1=N/c1ccc(Cl)cc1 409086446 ZPUHAVFJNDXZHY-TWDJDDHFSA-N 443.012 6.794 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(OC)cc1 409109674 JDNKXHNQAROMHE-UHFFFAOYSA-N 427.136 5.397 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 409175017 XXVXAEWNCJSLFN-HYARGMPZSA-N 428.538 5.946 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 409202326 RQSJYHGRQMCUCG-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CCCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OCC 409212377 QUFLJZGGCCHVNO-LPYMAVHISA-N 437.321 5.846 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OCC)c1OCC 409332853 RUFBKMJDCFGLPM-QNGOZBTKSA-N 439.602 5.614 30 40 IKEB CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(I)cc1 2336261 CNCCXDOZKQIWSU-CIAFOILYSA-N 446.244 5.012 30 40 IKEB C=CCn1c(SCc2cnc(-c3ccccc3)s2)nnc1[C@H]1COc2ccccc2O1 3415007 GGYXKZAFQSCDDZ-HXUWFJFHSA-N 448.573 5.392 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccccc2Cl)cc1OC 6304440 XAPYIWWDMLITDQ-CVKSISIWSA-N 432.911 5.656 30 40 IKEB Cc1c(-c2ccccc2Cl)noc1-c1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1 8762554 MWKQIXOFDDICBJ-UHFFFAOYSA-N 446.297 6.205 30 40 IKEB COc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c(OC)c1OC 9433999 SMDOXOQBDZXXEU-VWLOTQADSA-N 431.513 5.579 30 40 IKEB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1 9788858 ODUQVEBZACWQIX-CQSZACIVSA-N 437.594 5.102 30 40 IKEB CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C)cc1 11915277 UFHYSHPYOBSUOT-HSZRJFAPSA-N 437.536 5.108 30 40 IKEB Cc1ccc(C(C)C)c(OCCCOc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)c1 13894659 TUUFBQSLMZFIEO-OVVQPSECSA-N 447.535 6.321 30 40 IKEB CCN(CC)C(=O)c1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C#N)c1C 13967104 JOMWIVAMICQRIW-UHFFFAOYSA-N 431.561 5.181 30 40 IKEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)s1 16779347 APMCBNXDEBYPDP-APPDUMDISA-N 429.611 5.231 30 40 IKEB C/C(=N\Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc(OCC(=O)N2CCCC2)cc1 23224100 LAVWSFFIODXKDX-WPWMEQJKSA-N 436.943 5.034 30 40 IKEB CCCC/N=C1\S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCCC 35041982 WUCQTZOFAOHSIX-BLFRMDKKSA-N 427.526 5.727 30 40 IKEB Oc1ccc(Br)cc1/C=N\c1c(-c2ccc3ccccc3c2)nc2ccccn12 101002583 SZIVGTACOXHNSB-YSMPRRRNSA-N 442.316 6.373 30 40 IKEB CCCC[C@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@]1(C)CC[C@@H]2C1(C)C 102979318 WEAZETIELYIGMB-GMWOSMDTSA-N 430.386 5.636 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c([N+](=O)[O-])c1 408766520 VDYJUOGHCGDVAG-MFKUBSTISA-N 442.431 5.681 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C1CCCC1 408784687 WIXIHFNWKDGGGP-WQRHYEAKSA-N 434.392 6.418 30 40 IKEB O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1 408906908 FAUJPBIZPKYQAM-GHZVKXTHSA-N 439.367 6.798 30 40 IKEB Cc1ccc(-c2cnc(N)c(C#N)c2-c2ccc(OCc3c(C)cc(C)cc3C)cc2)cc1 408985325 LKOFCZVUUTZRJV-UHFFFAOYSA-N 433.555 6.682 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc(N3CCOCC3)cc2)sc2c1CCCC2 409061458 ZZZWNSGLLFEGQC-OVVQPSECSA-N 445.588 5.466 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(F)cc1 409114762 ILMNXSZCMPOFBT-UHFFFAOYSA-N 425.931 6.716 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3Cl)c3ccccc32)o1 409390427 FHVFLAOYQGCFDM-GATIEOLUSA-N 427.287 6.127 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]12 2038218765 MHAVMNJPXLZEIG-NTCNNDGISA-N 438.696 7.412 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 2049238454 WKXDFOKWTASGPK-UQFZMJLISA-N 432.604 5.664 30 40 IKEB C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)C12CC3CC(CC(C3)C1)C2 5827566 ZYEDEPBMAUWJCW-UHFFFAOYSA-N 427.013 6.267 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1 6474322 GKAOUKUMRIHYAN-UHFFFAOYSA-N 439.515 6.157 30 40 IKEB Cc1ccsc1/C=C1\S/C(=N/c2ccccc2)N(Cc2ccc(C(=O)O)cc2)C1=O 8383968 XLZSHPBJWPABFW-RLYGRLLTSA-N 434.542 5.559 30 40 IKEB CC(C)(C)c1cc(C2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O 8694289 BHBOAGQBSZOFPQ-UHFFFAOYSA-N 447.575 5.110 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)ccc1Cl 8715759 FEBHIZUUQWYEBB-DEOSSOPVSA-N 445.946 6.555 30 40 IKEB CC(=O)[C@H](/C=N/OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 8781451 TXCHEWSILUXDLK-GRLVRZOXSA-N 448.133 5.647 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 8817537 HBQGFLGBTVZPQP-NRFANRHFSA-N 444.512 5.597 30 40 IKEB COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1COc1ccccc1F 9427896 IHLSDFZTIWZIRW-GXDHUFHOSA-N 428.459 6.168 30 40 IKEB S=c1[nH]nc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/c1c2ccccc2cc2ccccc12 12508129 WCLOWKRTLPNLSV-JVWAILMASA-N 446.539 6.186 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)ccc1O 13756589 IYDGWTBAMOSAAW-BRJLIKDPSA-N 439.302 5.764 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)OC)s/c1=N\c1ccc(Br)cc1 27015986 ZNWXGYOUWQCIHJ-QOCHGBHMSA-N 444.354 5.576 30 40 IKEB Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1C 32984388 HHAKIBUMIBRUDN-UHFFFAOYSA-N 441.911 5.746 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cnn(C)c5C)C(=O)[C@@]4(C)CC[C@H]32)C1 252489250 JMQZWPIAQPSGBR-ZWXAKWCWSA-N 436.596 5.185 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 408914019 SCFFIPWPFYORFM-AJGXWLHTSA-N 440.568 6.677 30 40 IKEB CC(C)(C)c1ccc(C2=NOC(=O)/C2=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408973836 CBZNNMRYUATBHG-XQNSMLJCSA-N 445.946 6.561 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 409039248 WSKDSYAGDRHVHO-XKJRVUDJSA-N 444.350 6.133 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1 409209626 GXLHCPLJNOJCFV-KKMKTNMSSA-N 448.828 7.427 30 40 IKEB COC(=O)c1sc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)c(C#N)c1C 689280 MJGVBQSYDXEURX-UHFFFAOYSA-N 441.512 5.491 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(Cl)cc1 2445070 AZWRTKBGQRMNEH-UHFFFAOYSA-N 441.000 5.813 30 40 IKEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(C)c4)nc(O)c32)cc1 4793368 IJYDOFLNIGXWJM-NRFANRHFSA-N 443.572 5.656 30 40 IKEB C[C@@H](NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 8763346 ZTAJNUUCTRKCMJ-OKCZUIDTSA-N 429.545 5.090 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1 8934998 YOYAHTUROULARB-SSDVNMTOSA-N 438.237 5.622 30 40 IKEB CCOc1ccc(C(=O)/C(=C/C=C/c2ccccc2OC)c2nc3ccccc3o2)cc1 8992156 UKKTUGDMLZWILI-UBROXMMTSA-N 425.484 6.215 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)c1ccc(Cl)cc1 9086400 OBKVRMXWDIVQAK-UHFFFAOYSA-N 432.854 6.267 30 40 IKEB Clc1ccc(-c2csc(N/N=C/c3ccc(Br)cc3)n2)c(Cl)c1 11991687 LRHJSYDTJGHAGB-DNTJNYDQSA-N 427.154 6.325 30 40 IKEB c1ccc(Cn2c(-c3cccnc3)nnc2[S+](Cc2ccccc2)Cc2ccccc2)cc1 12635888 ZMZIBSCQBHDFJJ-UHFFFAOYSA-N 449.603 5.766 30 40 IKEB Cc1c(C(=O)C2=C3SC=C(c4ccc(Cl)cc4)N3CCCC2)cccc1[N+](=O)[O-] 12651124 JMVAEGZWTFUNRC-UHFFFAOYSA-N 426.925 6.182 30 40 IKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@@H]([C@H](C)O)[C@](C)(CCCO)[C@]3(CC[C@]12C)O4 13409885 FQVYPFDSTMDZMU-JJMIVPNYSA-N 448.732 6.743 30 40 IKEB COc1cccc([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1OC 13567878 HKMFMIXEBNMYMP-OAHLLOKOSA-N 445.437 5.250 30 40 IKEB C=CCN1c2ccc(Br)cc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc13)O2 16605532 VVYGYEBVKIEEHJ-RUZDIDTESA-N 432.361 6.688 30 40 IKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 16637020 AGTQGOBQANRZKM-ZVBGSRNCSA-N 430.129 5.951 30 40 IKEB N#C[C@@H](c1nc2ccccc2nc1SCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 32828846 YOUIATDARXTJFT-NRFANRHFSA-N 449.532 5.100 30 40 IKEB C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 84638139 BLTIHWGPYWAVMY-FQEVSTJZSA-N 431.458 5.380 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cc2cccc(OC)c2o1 101191488 VYWNLUXKXPKOGH-UHFFFAOYSA-N 448.548 5.234 30 40 IKEB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 253500938 BHUDKWOFZIXCDR-VPVBJELHSA-N 426.597 5.101 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3C)NC1=O)[C@H](C)CC(C)(C)N2C(C)C 260565309 HZOHQVWGWGMIOZ-QHSFOXILSA-N 447.648 6.696 30 40 IKEB C#CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1Br 408610693 RKIIKFRQDVPLBE-UHFFFAOYSA-N 447.529 5.628 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@@H](C)CC)C1=O 408908681 AXKFKAJZYYJKAV-PYIPUQDCSA-N 444.600 6.949 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(Br)c2)C(=O)N1CC 408913592 QVTLTTGIERLNBV-DNLCFCFBSA-N 445.382 5.644 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 408962269 XWHMZTQEBAJJNE-YJMOJNCUSA-N 435.593 5.236 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1 409200382 IKRMYJDEBHFTQG-QMSJJHEMSA-N 425.598 5.582 30 40 IKEB N#CC1(C#N)[C@@H](c2ccc(F)cc2F)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 708509 CAYPLBWXIOMWFB-DSNGMDLFSA-N 437.449 5.249 30 40 IKEB C=C(C)Cn1c(SCCCCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 2354466 AWIDPXAFLPRJBP-UHFFFAOYSA-N 438.662 6.862 30 40 IKEB Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 2617268 LVHQHDYBLVJPSV-UHFFFAOYSA-N 427.287 5.312 30 40 IKEB CCCCCCCCn1c(SCc2c(C)noc2C)nnc1-c1ccc(Cl)cc1 3329850 XAVVHWLCMJCMOD-UHFFFAOYSA-N 433.021 6.856 30 40 IKEB CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 8430442 OMNIURFCWDFEAJ-DWXRJYCRSA-N 430.573 6.516 30 40 IKEB Fc1ccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)cc1 8782142 AMPIJGOXLGTWHU-LGJNPRDNSA-N 439.943 6.285 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 8837563 VXBSRSYNUKZIOX-HXUWFJFHSA-N 448.475 5.428 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4cccc(OC)c4)ccc3C2=O)c2ccccc21 8990553 UYMBDJMZLHKKOW-AFUMVMLFSA-N 439.467 5.505 30 40 IKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 10118770 OVGJRVLIBGVQSE-UXHLAJHPSA-N 444.962 6.595 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1 13568519 SYCGTWZEFYLLFC-LAUBAEHRSA-N 433.548 5.006 30 40 IKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 16741372 HBZUKTBGVVZSPP-JOCHJYFZSA-N 439.939 5.626 30 40 IKEB CNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 21722390 UPRZMAGQQCKCLP-GKVSMKOHSA-N 443.503 5.002 30 40 IKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)cc1Cl 27061663 SWYHTUQMKGRDNF-IBGZPJMESA-N 425.893 5.193 30 40 IKEB CCCCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1 32984148 VHAYGGMUMPFYQC-UHFFFAOYSA-N 431.557 5.987 30 40 IKEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccc(F)cc1 33825158 KJDXZBDHBOEYTK-STBIYBPSSA-N 436.490 5.492 30 40 IKEB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)c1 89573830 ARHNADHKODIXKB-QGZVFWFLSA-N 444.512 5.096 30 40 IKEB O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/N=C/c2ccccc2)N1/N=C/c1ccccc1 103678616 NROCBNXIRZZCDF-NJLXJMNCSA-N 444.947 5.681 30 40 IKEB CCCCCCCCCC[C@@H](C[N+](C)(C)C/C=C/c1ccccc1)[C@H](O)c1ccccc1 104333493 CREBIZUUDAOAQZ-JHKYLABNSA-N 436.704 7.657 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)cc2[C@@H](C)CC1(C)C 223579536 ZDELQZKPFHNFHE-SMNNTEATSA-N 447.648 6.616 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1[N+](=O)[O-] 408908155 BGKKNYFTZZBSHC-STBIYBPSSA-N 440.543 7.382 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 408908829 SJLMYBMMTIXORE-SOISBHENSA-N 442.584 6.841 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c(OC)c1 408914213 TXYDKBOPQGHLTI-BOSNEQTGSA-N 444.556 5.816 30 40 IKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(Br)c(Cl)c1 409077088 DDTZSGLTLKRMQR-LGJNPRDNSA-N 444.800 7.027 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4cccc(C(=O)O)c4)o3)c2C#N)C1 409080358 NHJGQKUJPMRPOB-HDFIIFABSA-N 432.545 6.480 30 40 IKEB Cc1cccc(COc2ccc(Br)cc2/C=N/Nc2ncccc2[N+](=O)[O-])c1 409103939 HTRPCDOHZRHFEE-FSJBWODESA-N 441.285 5.086 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 409107803 QSLOXGUIHJVAKR-RFWMZAAKSA-N 438.936 6.136 30 40 IKEB Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1Cl 409209758 HVOBKLSLVFFHTO-LQKURTRISA-N 428.919 6.570 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S1 409240886 QRLYGDVXWTUIQB-YBFXNURJSA-N 429.328 6.453 30 40 IKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1c[nH]c2ccccc12 409280826 MGAWAHMOQRGKKQ-UHFFFAOYSA-N 432.405 5.446 30 40 IKEB C#CCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC 409329002 BUYWBVRUXVVWPF-PXLXIMEGSA-N 431.538 5.266 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC(C)C)c1 409334570 TXLPWFDQCZJABU-OAHLLOKOSA-N 442.357 5.342 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc1OC 409375345 JIDCSHOKOVONPD-DCMOEJRUSA-N 439.939 7.077 30 40 IKEB C=CCOc1cccc(/C=N/n2c([C@H](C)CC)nc3ccc(Br)cc3c2=O)c1 1531342736 KPVNWEUJOVHCLF-LZCVXGSNSA-N 440.341 5.120 30 40 IKEB O=C1/C(=C/c2ccccc2OC(=O)c2cc(F)c(F)c(F)c2F)Sc2ccccc21 2361405 FFBABYXJLGUEKZ-MFOYZWKCSA-N 430.378 5.792 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2373698 QYCYSWIJDNCLGW-UHFFFAOYSA-N 430.552 5.900 30 40 IKEB CCCCN(CCCC)[P+](N)(N(CCCC)CCCC)N(CCCC)CCCC 5245605 OEWJCFVODWPDAL-UHFFFAOYSA-N 431.714 7.329 30 40 IKEB C=CCn1c(S(=O)(=O)Cc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 6181447 IHFYMLJXXMZEMN-UHFFFAOYSA-N 432.520 5.516 30 40 IKEB O=C(/C(=C(/S)Nc1ccc(Cl)cc1)[n+]1ccccc1)c1ccc(OC(F)F)cc1 9403319 DSMXPVLFRGMEFQ-UHFFFAOYSA-O 433.887 5.280 30 40 IKEB C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N(CCC#N)c1ccccc1 11443900 QWFFKKSBMLZNHD-CYBMUJFWSA-N 430.888 5.186 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 13751026 QPSMUHWMGMTHMJ-UVQVWFEYSA-N 429.589 6.173 30 40 IKEB N#Cc1c(-c2ccccc2)c(/N=N/c2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2)c1=N 55125638 HUWSSFSSSIKUPI-OLGKILCKSA-N 445.313 6.613 30 40 IKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3[N+](=O)[O-])nc2-c2ccccc2)cc1 59463670 BXIVRETUZCUOBY-OEAKJJBVSA-N 430.445 6.044 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2)cc1 97961222 DUORJTVBVQJQNS-NSQMQTOTSA-N 448.691 8.874 30 40 IKEB Cc1c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 100356942 VJCYBERFEMQMFL-KTKRTIGZSA-N 427.413 5.222 30 40 IKEB CCN(CC)c1ccc(/C=N\CCCCCC/N=C\c2ccc(N(CC)CC)cc2)cc1 104063591 MHRIRXOEWCHUGX-HONQWNAWSA-N 434.672 6.477 30 40 IKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@@]21C 118931836 PATCHQOVVGUAJQ-KOLWCNCWSA-N 441.700 7.673 30 40 IKEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc21 408720881 GXRZKMTYYWKOBO-AFUMVMLFSA-N 425.400 5.963 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1cccc(F)c1 408814117 RNPVUNKEDJHREG-MOSHPQCFSA-N 427.497 5.198 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1O 408910255 GOYNSLJWQFBJAU-JUMVDPBBSA-N 430.529 5.513 30 40 IKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(C2CCCCC2)C1=O 408912646 OIKHKHUMFZWDRB-KWPJTZOTSA-N 434.605 6.584 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408964367 GLHZAVJVAKPNBV-YDZHTSKRSA-N 445.494 5.859 30 40 IKEB COc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 408965020 FRLWVIKZKVBWRL-ROTLSHHCSA-N 430.287 6.030 30 40 IKEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 409000123 XDGRUSMBCOSRPQ-XYGWBWBKSA-N 440.543 5.588 30 40 IKEB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)o2)cc1 409152069 IVOUOEUAOQRSLQ-WSDLNYQXSA-N 428.469 5.257 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409208503 CPPWWBSIFAZXBR-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB CC[C@H](C)n1c(C)c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531385016 OZKXNCCWPDPTDL-VFKGCLKRSA-N 434.543 6.180 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2sc(C)c(C)c2c1=O 2415275 KLFATNGMPQZPJO-UHFFFAOYSA-N 427.595 5.115 30 40 IKEB C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccccc3Cl)c2c1=O 2889179 HJIKWMHYPMYNGM-UHFFFAOYSA-N 446.022 6.022 30 40 IKEB CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 4048128 AHURIOZKCVUFMA-XRHLQHRESA-N 444.962 6.718 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 8396084 XYYLBIODGXJWHQ-BLEOTABNSA-N 426.585 7.235 30 40 IKEB O=C(/C=C/c1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 8430766 LVUSTTLJPLEOCA-RJRNSMGGSA-N 428.557 5.023 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(C(=O)O)cc2)N(C)C1=O 8454166 FGIRRACNEFJGLH-YCBMQGOFSA-N 432.501 5.171 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3[nH]2)c1 16525146 ARYPXBNQBZDURK-FOKLQQMPSA-N 426.701 6.102 30 40 IKEB CCCCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1nc2c(Cl)cccc2s1 16639065 IDRMWPKNUVIWBO-OKULMJQMSA-N 428.941 5.972 30 40 IKEB CC(C)(C)c1ccc([C@H]2C3=C(Sc4[nH]c(=O)sc42)C(=O)c2ccccc2C3=O)cc1 16778998 FFSDNYSWXLILFJ-INIZCTEOSA-N 433.554 5.305 30 40 IKEB CCOc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)cc1 17099622 ZMJPANBRTQPAAO-CCLHPLFOSA-N 435.527 5.851 30 40 IKEB CCN(CC)[C@H](C#Cc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 20052307 YBCOVPXPVIFYJE-AREMUKBSSA-N 432.589 5.230 30 40 IKEB COc1ccc(CN/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 20195776 RSCDVXWKWYXYAL-JFLMPSFJSA-N 440.927 5.069 30 40 IKEB COc1ccc(-c2csc(N/N=C3/C[C@@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 31994693 YVCXIROPPVUFHA-NNHPPCHPSA-N 441.556 6.467 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@H]2c1ccccc1Cl 44858731 BGHYQLSWPWJYOO-QFIPXVFZSA-N 446.938 5.447 30 40 IKEB C(=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1)\c1ccccc1OCc1ccccc1 59461382 GQZQAMIOMRPPDC-NRYSQFAASA-N 428.513 6.456 30 40 IKEB CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1 95862770 ICDMLAQPOAVWNH-ZUCPIXAKSA-N 431.661 6.449 30 40 IKEB CCCCCCCN(CCCCCCC)C[C@H](O)c1ccc2ccc3ccccc3c2c1 100690898 RAYKHTIOYFAODL-PMERELPUSA-N 433.680 8.269 30 40 IKEB CC(C)/C(Cl)=N\OC(NC(=O)Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F 101206259 HPVCXYRREWTUER-KIBLKLHPSA-N 440.171 5.507 30 40 IKEB C=CCOc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)cc1 408631180 CMYCLKURXMQONH-WQRHYEAKSA-N 444.896 5.181 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C(C)C)c(OC)cc1C 408839864 AZKQYGYQJXESTE-HSZRJFAPSA-N 431.532 5.259 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(Br)c1O 408907021 LAJKEFXSELAWSG-SLHJDRLVSA-N 447.354 5.176 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 408907104 LWWZOPDRFZPECR-TWZDJBIOSA-N 440.568 6.617 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)ccc1OC(C)C 408911115 IXEKCTRZBRMLOW-WRIATZMJSA-N 438.593 6.051 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccccc2I)o1 408963171 XPKBXBCWJGUEDR-NHDPSOOVSA-N 431.229 5.308 30 40 IKEB CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(C)C1=O 409056665 NHCDGLKUIHARRQ-HPJGCCTDSA-N 430.913 5.061 30 40 IKEB O=C(NC1CCCCC1)c1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCC2 409156023 SPYHAGGJUOXXHP-VULFUBBASA-N 432.536 6.041 30 40 IKEB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Cl)c1OC(C)C 409166295 CVTARCJICIOQGD-VXLYETTFSA-N 442.924 5.244 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 409198958 ALPFFTWUZYUJNG-YDZHTSKRSA-N 436.316 5.520 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1Br 409201474 NKPCRIUXQNRJSB-RGVLZGJSSA-N 427.136 5.760 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409214922 ZRAHKBSASOXIGZ-AFUMVMLFSA-N 428.757 6.995 30 40 IKEB COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1Cl 409379811 ZRRPWHYPAVZGRQ-RPPGKUMJSA-N 447.293 5.909 30 40 IKEB C=C(C)CSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@@](C)(CC)C4 2361056 XLUXNILKVIAAIB-FQEVSTJZSA-N 434.656 5.751 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3Cl)N=C2O)cc1 2590361 FNBOUBNCTYESDH-OQKWZONESA-N 443.012 7.811 30 40 IKEB O=C(NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 3138649 RQOGRVXZVYCKRQ-UHFFFAOYSA-N 430.270 5.368 30 40 IKEB COc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 4371412 PUPGKKCPLWYJLH-MUPYBJATSA-N 425.528 5.256 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)NC3CCCCC3)c2C#N)cc1 6246471 ZRLHJTKLXUUNNG-UHFFFAOYSA-N 441.600 6.137 30 40 IKEB C=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1 8873548 SSJUTLJNMPPDGD-UHFFFAOYSA-N 436.596 6.621 30 40 IKEB Cc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c(C)n1C 9323757 FWRFGOIJOMUYSH-IKMQVZDESA-N 445.544 5.144 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 11868137 XSJPPSIEMSOJIA-KGENOOAVSA-N 449.506 6.928 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3cccc(Oc4ccccc4)c3)C2=C(O)C1 13176518 RREADCRJTXDABK-VWLOTQADSA-N 441.571 7.292 30 40 IKEB Cc1cccc(N2C(=O)S[C@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)c1 13739576 RNPHZSIDLTYYAZ-NRFANRHFSA-N 433.558 6.054 30 40 IKEB aggregator COc1ccc(-c2c(-c3ccccc3)oc(/N=C/c3ccccc3)c2-c2ccccc2)cc1 17142838 IWXOJESVRTVDCD-NJZRLIGZSA-N 429.519 8.040 30 40 IKEB C=CCN1C(=O)/C(=C/c2cn(CCCOc3ccc(C)cc3)c3ccccc23)SC1=S 19799516 IRRXSMCJLXUQLK-KQWNVCNZSA-N 448.613 5.806 30 40 IKEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N(C1CCCCC1)C1CCCCC1 33686750 PGVMYKARINOPLB-HFTWOUSFSA-N 439.522 5.961 30 40 IKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611384 DVBGUJIQDKOKGR-GZIVZEMBSA-N 447.294 5.689 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)c1C 59104457 UVQLNQVTPOSERG-HAHDFKILSA-N 445.588 5.865 30 40 IKEB O=C1C(=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C(=O)c2ccccc21 59490095 KCCDTAPRRMHBGL-UHFFFAOYSA-N 444.493 5.818 30 40 IKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)cc1 102417431 WKKUAIKZLMRIAP-VULFUBBASA-N 433.895 7.105 30 40 IKEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccc(Cl)cc1 102502396 ROMUWBVABRQNOU-NHFXJNLRSA-N 442.273 5.759 30 40 IKEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2c1csc(-c2ccccc2)n1 118915684 DIDVQQHUMYJCEX-QNGJAGAISA-N 447.644 6.396 30 40 IKEB in-vitro CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)OC1(C)C 205206505 RPJJOOCYRZQOOQ-UHFFFAOYSA-N 434.348 5.777 30 40 IKEB CCCCCCCCOc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1OCC 408540005 LQLKXEGEBBYXBG-GHRIWEEISA-N 428.019 5.967 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c1 408587789 AFZDZMIPDNTTFA-YDZHTSKRSA-N 441.281 5.487 30 40 IKEB C=CCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408817458 VYXDKCBELKDAEV-ANQPRWKQSA-N 433.597 6.305 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408859367 STYRAWDOTIZYCS-MDUNFXFPSA-N 434.561 5.656 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 408863701 UJMQKLILDHWRFW-BRISHEGSSA-N 428.960 6.662 30 40 IKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1cccc(F)c1 408915785 YMERSAYUOORVLV-UHFFFAOYSA-N 436.866 5.919 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1sc2c(c1C#N)CCCC2 409070597 ZZQJNUKGXRVTIR-IPBVOBEMSA-N 443.498 5.766 30 40 IKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409385948 MRJXLOPFXGVOJD-DHRITJCHSA-N 435.549 5.442 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 8821081 MYQYGWNDLUFHFF-DEDYPNTBSA-N 435.461 5.145 30 40 IKEB N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 9124958 BYVGWPDSOQNNSW-UHFFFAOYSA-N 441.874 5.222 30 40 IKEB C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2sc(C)c(C)c2c1=O 9585839 PZSXOWOQURUUFS-UHFFFAOYSA-N 444.969 5.257 30 40 IKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-] 10212895 TVNZWNRVIUFECX-LSHDLFTRSA-N 437.308 5.870 30 40 IKEB CCOc1cc(/C=C/C(=O)Nc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 13075654 PZQHZNAREKGEGZ-NTUHNPAUSA-N 446.478 5.206 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c([N+](=O)[O-])c1 14408793 ZSJYEJWXIDJFSF-WYMPLXKRSA-N 449.854 5.605 30 40 IKEB COc1cc(C#Cc2cnc3ccccc3c2)c(OC)cc1C#Cc1cnc2ccccc2c1 16194743 YTKWBCLAQSTWNV-UHFFFAOYSA-N 440.502 5.600 30 40 IKEB CCOc1cc(/C=N/c2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 16689092 DNLPTJIKCJRVJP-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(Cl)ccc1C 17084968 SMPFGNYZGGTKIK-HZYJKNPPSA-N 441.984 5.412 30 40 IKEB Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(Cl)cc1C 19841855 UGSHPRYSNZEWFT-UHFFFAOYSA-N 431.967 6.239 30 40 IKEB N#CC1(c2ccccc2)C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 25424860 UQKCZQYCSDNAOB-NNFYUIBOSA-N 444.361 7.285 30 40 IKEB CCCCc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1 32984322 YVPJTMMOKMCAHS-UHFFFAOYSA-N 435.520 5.818 30 40 IKEB N=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[C@@H]1c1nccs1 33537242 XWEDTQDXFPCRRJ-JKHCLMFGSA-N 431.882 5.383 30 40 IKEB CCSc1nnc(C)n1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 36611394 FCZQLMAWZAAJLL-ODCIPOBUSA-N 445.759 5.713 30 40 IKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1OCc1ccccc1 59483069 VVHIDAWIFBDMNN-STZFKDTASA-N 433.891 5.662 30 40 IKEB CC[C@@](C#N)(CCC[C@@H](N)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 60249012 FXLNXOBHZFCAMR-RLWLMLJZSA-N 440.584 5.023 30 40 IKEB CCCCCCCOc1ccc(S(=O)(=O)c2ccc(OCCCCCCC)cc2)cc1 96022892 PAIMTIKEDXKGRS-UHFFFAOYSA-N 446.653 7.218 30 40 IKEB CCCCCCCCCCCCc1cc(CN(C)C)c(O)c(C(C)(C)CC(C)(C)C)c1 100692442 OWGNCEADHKHWAM-UHFFFAOYSA-N 431.749 8.631 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)c1O 102417459 RKWVZYUNCHIDHO-VULFUBBASA-N 445.475 6.165 30 40 IKEB FC(F)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531399 RBPJHPVAISEBAL-UHFFFAOYSA-N 446.100 6.531 30 40 IKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934391 GCRIWPLHBVKSPY-YILDYCAESA-N 444.612 5.265 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nc(C)cc(C)n3)c2C#N)C1 408582023 LDLVBKRLWZONIQ-OAHLLOKOSA-N 428.627 5.299 30 40 IKEB N#Cc1ccccc1COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408987738 GLOYDXXTCXGHCI-UHFFFAOYSA-N 441.556 6.174 30 40 IKEB C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 409014165 MKDOJSURVOPWPX-TURZUDJPSA-N 442.584 6.422 30 40 IKEB CCCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)SC1=Nc1ccccc1 409014858 QBMSCUNOWNHKBT-DMEHKQLVSA-N 435.980 6.453 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1cccc(C)c1 809687 FUIGBCCUVSGYPQ-UHFFFAOYSA-N 443.543 5.284 30 40 IKEB C=CCn1c(SCc2cccc(Br)c2)nc2sc3c(c2c1=O)CCCC3 2391738 IVJIBRJZSCEGOD-UHFFFAOYSA-N 447.423 5.578 30 40 IKEB C=CCn1c(S[C@@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 3220468 NIVQKFDCMPSBJF-LJQANCHMSA-N 429.570 5.538 30 40 IKEB O=C(/C=C/c1cccs1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 4118394 ARKMGMHJSPBTRC-CSKARUKUSA-N 439.341 5.719 30 40 IKEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3Cl)n2)cc1OC 6162827 FTLCILXEGGOYDI-UHFFFAOYSA-N 439.924 5.022 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 12605953 ZQGOIHPVFKKDCR-JLPGSUDCSA-N 444.556 5.864 30 40 IKEB N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(F)c1 13839298 CZYXZZFDWHXDAQ-UHFFFAOYSA-N 428.250 5.509 30 40 IKEB CCOC(=O)Nc1sc(N/N=C/c2ccc(O)c(OCC)c2)nc1-c1ccc(C)cc1 16751493 MIYJFOUQMSPWEF-YDZHTSKRSA-N 440.525 5.237 30 40 IKEB COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 19228589 IOGAFSFTYGVAMK-DEOSSOPVSA-N 431.532 5.043 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2C)cc1C 44859300 IQQYHGCCJXZQCS-XMMPIXPASA-N 426.520 5.083 30 40 IKEB CCCCCCCCCCCCCCCCSc1nc(CCCCCCCC)n[nH]1 97951991 WIKSVOWMRBEWPX-UHFFFAOYSA-N 437.782 9.281 30 40 IKEB CCCCCCCCCCCCCCCCNC[C@@H](CC)Oc1ccccc1[C@@H](C)CC 100023708 CLIFPJYOATWUDZ-WUFINQPMSA-N 445.776 9.428 30 40 IKEB O=C(/C=C/Nc1cccc([N+](=O)[O-])c1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 100482269 NTPXWDZNAVKBOK-MDZDMXLPSA-N 443.286 6.289 30 40 IKEB COc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1cc2ccccc2o1 102417224 UBRRZMIJUNROLO-AFUMVMLFSA-N 449.304 6.207 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 102533900 RGPZFPVPVVZFBS-MRJHHRETSA-N 448.862 5.183 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 102733516 GRWWAAGOCUTIDK-NHFXJNLRSA-N 446.553 5.547 30 40 IKEB O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]23)cc1 106336415 LRZMINYCHKGPFT-YREBHDEESA-N 443.503 5.829 30 40 IKEB Cc1cccc(NC(=O)Cn2cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c3ccccc32)c1 408592195 LPTJZVDXXKHYKJ-VULFUBBASA-N 442.475 5.047 30 40 IKEB COc1ccc2ccccc2c1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O 408783213 MGKBVXMPTMXDGF-WOJGMQOQSA-N 429.328 6.047 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1OC 408865454 ASYUCBFXRNCRTL-JJBLKGERSA-N 436.577 5.887 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc([N+](=O)[O-])c1O 408938676 RCBYDLLMIQRFFW-BGXAXVOZSA-N 441.487 5.886 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC 408943438 SEZAGBIDIJUIIV-PNLYLYDTSA-N 448.566 6.593 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1Cl 409012554 KFXHJSAUSCAKOR-YSOCZJRWSA-N 435.376 6.405 30 40 IKEB N#Cc1ccc(Cn2cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)cc1 409035159 OTTSOTGEKLOZSX-VYVUJPJFSA-N 442.338 5.275 30 40 IKEB Cc1ccc(COc2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2)cc1 409082415 PWYXIVDYLAXDFW-ZUXQIOPWSA-N 442.628 7.409 30 40 IKEB COc1ccccc1Oc1ccc(N/C(C)=C/C(=O)c2ccc(Br)cc2)cc1 409094294 DLVBRRJVDUKVCB-FOCLMDBBSA-N 438.321 6.449 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cccc(F)c2)o1 409280704 LWZGCGAXJRQGLS-UHFFFAOYSA-N 440.272 5.003 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3cccc(Cl)c3Cl)c2)cc1C 409381302 FWRSUOGGNOWXRE-ZMFRSBBQSA-N 427.331 6.378 30 40 IKEB N#Cc1ccc(Oc2ccccc2N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)cc1 725808 DATAOCYNVUVKBW-UHFFFAOYSA-N 444.446 5.382 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1OC 781128 AMBPRWLLGRGDJA-WTYVLRPYSA-N 440.543 5.992 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccs1)c1ccc(F)cc1 1413463 DEQPEHJGLWNOEA-JOCHJYFZSA-N 446.503 5.190 30 40 IKEB O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1Cl 1793194 IGBNYMXRBBOXEL-ZPKJPUMHSA-N 435.936 5.505 30 40 IKEB CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(C)c2)cc1 2454168 SMMLCMHGAKSLGY-UHFFFAOYSA-N 426.545 5.805 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3sccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1C 2745321 FIJWMXCSVRBIGI-MKRFAJQFSA-N 432.614 7.099 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S 2840137 HHBYSUIXVDXTBR-WQRHYEAKSA-N 436.385 5.960 30 40 IKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 3025744 STGFLQQPRKQMFK-JRUCXRJDSA-N 438.270 7.126 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2[C@H](C)CC)nc2sc(C)c(C)c2c1=O 3249954 IOUJUOAZZHJWNF-CQSZACIVSA-N 441.622 5.505 30 40 IKEB C=CCN/C(S)=N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 4136675 TWADNKXCZHJPEX-GQUZIAHASA-N 439.588 5.438 30 40 IKEB CC(C)(C)c1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 8739947 SEOOWLFRCFIBHY-OVVQPSECSA-N 437.551 6.102 30 40 IKEB N#Cc1ccc(-n2c(SCCCC(=O)c3cccs3)nc3ccccc3c2=O)cc1 9512111 IVVBXIDHIOKSDV-UHFFFAOYSA-N 431.542 5.074 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(C(=O)NC1CCCCC1)c1ccccc1N2 12652151 SQDBBVURPPOYFW-VWLOTQADSA-N 449.982 6.363 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(N(CC)CC)cc1 13306141 UNEJTHSEQQPIHS-ZMPCKTLKSA-N 438.622 5.527 30 40 IKEB COc1c(F)c(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(F)c1F 16194429 VQWKVFRZFDATDB-UHFFFAOYSA-N 436.327 5.123 30 40 IKEB Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N3)cc1 16807381 GDPKHQIRNMEXRX-NRFANRHFSA-N 443.572 5.244 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 19630395 VSKLXCJSVVBUIF-IQMFZBJNSA-N 439.602 5.657 30 40 IKEB Cc1cccc2c1Oc1nn(-c3ccccc3)c(/N=C/c3ccc(C(F)(F)F)cc3)c1C2 20849539 RUBBXXHQWUOKAU-WKULSOCRSA-N 433.433 6.647 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCCC2)cc1 33703578 LGCPWEPBLZUWIX-AQTBWJFISA-N 432.376 5.875 30 40 IKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)F)cc1 44088270 BGPNJDCZMPNWTC-UHFFFAOYSA-N 437.309 6.181 30 40 IKEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 59475138 XIPVNGIAEZMVFR-WGOQTCKBSA-N 432.980 6.643 30 40 IKEB CCCCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 97995853 PGQBRQVODLBIJE-UHFFFAOYSA-N 441.524 6.154 30 40 IKEB Cc1n[nH]c2c1C1=C(C(=O)[C@@H](C(C)(C)C)C[C@H]1C(C)(C)C)[C@@H](c1ccc(N(C)C)cc1)N2 100998595 JVUXTMQBVQQAIR-SELNLUPBSA-N 434.628 6.002 30 40 IKEB Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1OC(=O)c1ccccc1Br 102946595 KFGNSYBWPPZZME-YDZHTSKRSA-N 439.265 5.636 30 40 IKEB Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1cccc(Cl)c1 408755435 UVXYHLGSSYQALM-UUYOSTAYSA-N 434.708 6.103 30 40 IKEB Cc1c(Br)c(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccccc1 408848029 PABZNWAKSHQLKX-WSDLNYQXSA-N 432.159 6.370 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(C)C)c4ccccc34)C(=O)N2C)cc1 408911779 OHVTVEWKFCBHGU-BOSNEQTGSA-N 430.573 6.417 30 40 IKEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccc(C#N)cc1 409402425 FEDCNCQCFYRAKF-UHFFFAOYSA-N 443.510 5.225 30 40 IKEB O=C(c1cc(F)ccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2 2306125 AJJLZQJXFPNRAY-RPWUZVMVSA-N 440.854 5.247 30 40 IKEB N#Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCCC2 2316469 NBCRYYQWNYKOHB-UHFFFAOYSA-N 438.405 5.712 30 40 IKEB CC1=C/C(=N\N=C2\N=C(O)[C@H](CC(=O)Nc3cccc(Cl)c3C)S2)CC(C)(C)C1 8385285 BADZRKRDDRKKTO-YSGZUTGPSA-N 432.977 5.527 30 40 IKEB N#CC1(C#N)[C@H](c2cccc(F)c2)[C@@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@H]21 8926462 YBPJLLRZEYXKSF-GVAUOCQISA-N 437.449 5.249 30 40 IKEB O=C(O)c1ccc(N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 9281108 MSWUKLNQDGOVPX-JFLMPSFJSA-N 430.891 6.216 30 40 IKEB O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc(OC(F)F)cc1 9403304 UHYKVOREYGXTHA-UHFFFAOYSA-O 449.502 5.780 30 40 IKEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 13130206 XKRCRGNKNGLQLI-MDZDMXLPSA-N 442.346 5.220 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Br)cc1 13303861 ZQOYXVICUFAESV-HSHHTGOPSA-N 446.395 5.443 30 40 IKEB COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC3CCCCC3)c2C#N)cc1 13382094 LFBIPYJILSEZLR-UHFFFAOYSA-N 428.601 7.277 30 40 IKEB O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1C1CCCCC1)CCC3 13739548 LENOKWAEAAILME-ZMOGYAJESA-N 426.973 5.551 30 40 IKEB N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1Cl 15532690 PMMJFNTVQOBYMV-UHFFFAOYSA-N 432.730 5.279 30 40 IKEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@@H]1C 16040123 KXDYHZVEOJTNPL-MLESWTOWSA-N 441.656 6.539 30 40 IKEB biogenic Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)O2 18196542 TUENUWCCBNPJGB-QFIPXVFZSA-N 439.342 6.078 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NCc1ccccc1 21722000 BFLMFOCWSSBKTJ-SANMLTNESA-N 443.572 5.045 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)c2ccccc21 28182853 FKXGRIWUNAQTNC-YSMPRRRNSA-N 438.527 5.615 30 40 IKEB C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2cccc(Cl)c2Cl)c1=O 28537151 OKBCXKLZINWFNG-UHFFFAOYSA-N 449.363 5.176 30 40 IKEB CCCCCCCCOc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 97996984 DEISOKKYSDYOEK-AWSUPERCSA-N 443.675 8.644 30 40 IKEB FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 100037113 GGRHPDUABIVHSS-UHFFFAOYSA-N 436.517 5.895 30 40 IKEB in-vitro Cc1ccc(S(=O)(=O)/N=C2/C=C(SCc3ccccc3)C(=O)c3ccccc32)cc1 100222909 ADSZKAGKDYDNBC-LVWGJNHUSA-N 433.554 5.187 30 40 IKEB CC(C)COc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1Br 408600555 DEPNMUUVIROUCC-ZVBGSRNCSA-N 425.710 5.282 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 408738955 QLAMZSFSNFIOMV-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2c(OC)ccc3ccccc23)C1=O 409000570 YXJVITNJUBQARC-QNGOZBTKSA-N 431.513 5.392 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)N2CC)cc1 409021469 JKAAYMAQTKYMIL-HNYZTYFESA-N 433.533 5.206 30 40 IKEB COC(=O)c1cc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)ccc1Cl 409030302 FFSUMJLDQXZKLS-JRXWSOMVSA-N 446.706 5.101 30 40 IKEB COc1cccc(/C=N/c2ccc(Br)cc2)c1OCc1ccc(C(=O)O)cc1 409188423 ZAORDCUBMDUOAP-ZMOGYAJESA-N 440.293 5.486 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 409203186 VRCQLZLRQKDSMT-CVKSISIWSA-N 438.365 6.794 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(C)c1 409210927 LRVWSZLVGAAQRB-LQKURTRISA-N 444.372 7.549 30 40 IKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(I)c(C)c3)cc2)cc1 409246750 AYCHYAZTMIWIAU-UCQKPKSFSA-N 443.353 6.810 30 40 IKEB CCOc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(Cl)cc1OC 409282499 OVICCIXKTXVJOQ-UHFFFAOYSA-N 439.943 5.387 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1 826150 WSZYTWBVWQDSEK-UHFFFAOYSA-N 429.354 5.849 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 2055330 DJCKEZFRDIUEGL-HSZRJFAPSA-N 441.568 5.128 30 40 IKEB C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 2271075 ZYJRLIUIYRRYRO-GOSISDBHSA-N 438.662 6.477 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1OC 2354694 SJWUDQHFWCZAAV-UHFFFAOYSA-N 430.533 5.024 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)sc1C 9240905 ZSMVMWZZOMPXAK-SFHVURJKSA-N 442.899 5.335 30 40 IKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cc(Br)ccc1O 9308679 ZEBBKFBZIVZSOJ-BRJLIKDPSA-N 448.324 5.144 30 40 IKEB C=CCSc1nnc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 12402395 UFQDBJPXIVEBOS-ZDUSSCGKSA-N 431.608 5.041 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2ccccc2c1 16268505 HEJKRQGKQJHNKF-IWIPYMOSSA-N 441.531 6.278 30 40 IKEB COc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1 32984391 DGCOLZYYFUMWBI-UHFFFAOYSA-N 443.883 5.137 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1F 35152309 OADIPCDMIGAEJI-HAHDFKILSA-N 448.519 5.695 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 35362151 YHGDNXGCBQMBPJ-QFIPXVFZSA-N 434.609 5.500 30 40 IKEB C/N=C1/S/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C 59104978 SCAJNEYVTVEYFR-ZEGLZJJTSA-N 430.360 5.528 30 40 IKEB CCCCCCCCCCCCCCCCCC1=Nn2c(nc3cnc4ccccc4c32)C1 59662833 SOJJKRWIGKCLFX-UHFFFAOYSA-N 446.683 8.606 30 40 IKEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n(C2CCCCC2)c1C 72305315 GAQZUPXOIGNYKK-DQEYMECFSA-N 443.595 5.192 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc12 97952664 PRWNBFUWWKNCPB-UHFFFAOYSA-N 430.552 5.846 30 40 IKEB COc1ccc(C2=NN([C@H](C#N)c3ccc(Br)cc3)[C@H](c3ccccc3)C2)cc1 102960489 NJYDEZOSBWRDCZ-BJKOFHAPSA-N 446.348 5.874 30 40 IKEB C=CCC(C(=O)Nc1ccc(OC)c(C(F)(F)F)c1)(c1ccccc1)c1ccccc1 225956170 UOALXECKXGSZJR-UHFFFAOYSA-N 425.450 6.215 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1OC 409088123 DHQWUOQZMWUCGU-KPQXCZDLSA-N 427.526 5.447 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 409096545 KLYACAHTXUJZEJ-BPDROILWSA-N 445.825 5.899 30 40 IKEB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(C)cc2)nnc1-c1ccccc1 409189769 IKYOCFVPJGGASQ-PCLIKHOPSA-N 443.532 6.083 30 40 IKEB COc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 409209980 HLCVEJXKUSBAAK-WSDLNYQXSA-N 427.800 5.708 30 40 IKEB CC(C)c1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1 1081802696 OMHSTCAJNFYUBR-DUYDGHCJSA-N 426.468 5.573 30 40 IKEB CCCCCCCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C1O 1796402 MGOYZVKDBVPYIH-HAVVHWLPSA-N 443.547 5.326 30 40 IKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2237320 WIRILWPNQWSSRS-QQAHGDJHSA-N 441.439 5.497 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 2444632 BZTDJGSCAOITQX-UHFFFAOYSA-N 442.535 5.438 30 40 IKEB N#Cc1ccc(OCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1 6474916 RBLACBPJKWBFHK-UHFFFAOYSA-N 432.936 5.664 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)c2ccccc21 8993395 DQNPXMGSPSHECL-OFJVMFQISA-N 449.506 6.205 30 40 IKEB Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)no1 10201668 LCEKOKZRQRRBJG-SNVBAGLBSA-N 438.456 5.116 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1c(C)cccc1C 13842002 JXDUJVUNWVOHKA-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB COc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 15227112 FNPJMKFKRIOTNQ-ROTLSHHCSA-N 430.287 6.030 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3cccc([N+](=O)[O-])c3)cc2)cc1 16638603 IEOFNRNEJPLQCK-NLRVBDNBSA-N 432.476 6.134 30 40 IKEB COc1ccc(Br)cc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 17086107 ZHQIIGVQHJDOCH-PCLIKHOPSA-N 432.321 6.061 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2-c2ccccc2S1(=O)=O 33271889 RVCWKUFVEABQDS-UHFFFAOYSA-N 432.545 5.424 30 40 IKEB CO/C(=N\[C@H](NC(=S)N(C)c1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 102431526 GPXRQNCGLLFFLM-CXJVOSNZSA-N 444.815 5.095 30 40 IKEB Cc1ccc(NC2=C/C(=N/S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)cc1 102629432 ZLDXHGPVIOWJRQ-QLYXXIJNSA-N 436.920 5.019 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)C1=C(CC(c3ccccc3)=CC1=O)N2 102931311 DAZPGYPCGSSAIF-HHHXNRCGSA-N 447.513 6.188 30 40 IKEB O=C(NC1CCCCC1)c1c(/N=C/c2cccc(Cl)c2Cl)sc2c1CCCC2 103687447 XHJRXSMLTWHYRJ-DHRITJCHSA-N 435.420 6.747 30 40 IKEB COc1cc(/C=N\OCC(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1F 108130421 PSCURWIBFDJKMW-ZMFRSBBQSA-N 442.874 5.056 30 40 IKEB CC(C)(C)[C@@H]1C[C@H](C(C)(C)C)[C@]2(C(=O)OC3=C(C2=O)[C@H](C(C)(C)C)C[C@@H]3C(C)(C)C)C1=O 409066078 VMDSRARXVSWQPD-ZFQRMXFKSA-N 444.656 6.379 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C/c2ccc(N3CCCC3)cc2)sc2c1CCCC2 409082634 SYQRWDXPMJZYLD-JVWAILMASA-N 433.577 5.501 30 40 IKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)o1 409172376 GDKGUNZVVWRXSB-SRZZPIQSSA-N 445.456 5.271 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409199954 GBSLWNMHQBMLEX-FOKLQQMPSA-N 446.246 6.661 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)c2C#N)C1 409214086 XWBKAMHDXSCUSC-HKNSOBRKSA-N 446.370 6.192 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3ccc(Cl)cc3Cl)c(C#N)c2-c2ccc(C)cc2)cc1 409351008 WTQVJBKIGFLNEK-FJEPWZHXSA-N 445.349 8.160 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc3ccccc3c2)cc1Cl)Nc1ccccc1F 409383269 VQSXMRMKTOWIFP-MBTHVWNTSA-N 432.882 6.400 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Br)cc1 8384724 BHAXSCXMDQIWTO-LSHDLFTRSA-N 441.181 6.716 30 40 IKEB CC[C@@H]1CS/C(=N\c2ccc(C(=O)/C=C/c3ccc(Oc4ccccc4)cc3)cc2)N1 8687696 QFFSNQJKVMTZBJ-AKCCUMBPSA-N 428.557 6.478 30 40 IKEB aggregator O=C(/C=C/c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F)c1ccccc1 9075297 PGZPXOLVWIKSEO-ZHACJKMWSA-N 440.421 5.024 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 9546525 LDLXGEDURBQYLF-IQMFZBJNSA-N 431.948 6.167 30 40 IKEB CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2)cc1 9562920 CYYQSRLSXOIAOX-UHFFFAOYSA-O 446.379 5.731 30 40 IKEB Cc1ccc(-n2c(N/N=C/c3ccc(F)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 12650676 NBKMCDZEAYWOJO-VULFUBBASA-N 432.524 5.220 30 40 IKEB O=[N+]([O-])C(/C=N/c1ccc(Br)cc1)=C/Nc1ccc(Br)cc1 13635665 WHNDJOZUFLZCIU-MPGSNBGNSA-N 425.080 5.144 30 40 IKEB O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3c4c(cccc24)CC3)c1O 16450167 QGFPTXKQJJTOIN-RWPZCVJISA-N 442.902 6.547 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cc(Cl)cc(Cl)c2O)cc1 16920323 LAGMNEWJJIXYGR-FMCGGJTJSA-N 435.332 5.559 30 40 IKEB N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCc1ccccc1 32594056 FGNUKVQUNKLMTC-UHFFFAOYSA-N 429.907 6.100 30 40 IKEB Cc1ccc(OCc2nc(C#N)c(NC[C@@H](c3ccccc3)N3CCCCC3)o2)c(C)c1 35671554 IHMYCMCEVHEOIR-QHCPKHFHSA-N 430.552 5.381 30 40 IKEB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N(C)[C@@H](C)CC#N)c2c1C 78968152 CBAHUCMWDROIAQ-AWEZNQCLSA-N 440.594 5.207 30 40 IKEB COCCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 96803919 APARRRRJBVTTQW-GCXIQGEKSA-N 429.501 5.069 30 40 IKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Br)cc4)cc3o2)cc1 102417440 CMEGZBOVUCXIRX-CVKSISIWSA-N 433.349 7.305 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@H]3c3ccccc3)sc2c1 102932770 RLERMIWFBYDRCK-QOJBNDRUSA-N 430.485 5.132 30 40 IKEB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(C#N)cc2)c2ccccc12 111673094 ZCEWMICTVNZZKC-MYYYXRDXSA-N 448.551 5.166 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)cc([N+](=O)[O-])c4C)o3)S2)c(C)c1 408721056 JGKBFQUTQMAXLE-UUYOSTAYSA-N 447.516 5.980 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 408909085 GJPFGKZJKRXBPW-ZUTMNQQBSA-N 428.513 5.781 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409131713 XUFAVQFQGDWYJR-OEAKJJBVSA-N 432.545 5.754 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 2055496 MIGNWMISBXVCAV-HXUWFJFHSA-N 447.959 5.002 30 40 IKEB C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCCCC1 2126688 NRXSHTMQYCWAJB-GTFKBZATSA-N 441.656 6.540 30 40 IKEB O=C1Nc2ccc(Cl)cc2/C1=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 8426506 QNTRTJMGXWKNAD-OICHLTCNSA-N 431.904 5.471 30 40 IKEB C=CCN(C(=S)Oc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 8434842 JMKTWGKUZAVBOE-UHFFFAOYSA-N 433.489 5.203 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 8809787 JAHNEERZSBIKFN-MCIQNMBGSA-N 433.382 7.879 30 40 IKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCC(=O)Nc1cccc(Cl)c1 9307710 CMHAPEPZQVPPSM-UHFFFAOYSA-N 434.952 5.614 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 12194259 FJEKASOJDJPVBY-YIXXDRMTSA-N 442.515 5.511 30 40 IKEB CCCc1cc(SCC(=O)Nc2ccc(C)c(C)c2)n2c(nc3ccccc32)c1C#N 12689790 RUCHGZGQDTYGCP-UHFFFAOYSA-N 428.561 5.659 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1OC 13568525 SZVJJKBBXRRTCE-QUGAMOGWSA-N 430.504 5.585 30 40 IKEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](c2ccccc2)C3)[C@@H](C(=O)O)C1 17099068 BDGUZVIBYQBJJB-RLLQIKCJSA-N 434.561 5.278 30 40 IKEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 28182510 CRDSAOQBPKAMPV-MXAYSNPKSA-N 439.467 5.160 30 40 IKEB COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1OC 28541901 ZMEZWWGCUFZDNP-YVNNLAQVSA-N 449.528 5.042 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(OC)c(OC)c3)c(C)c2s1 72228735 AVOMUGOLOOSYIS-MXAYSNPKSA-N 426.542 5.380 30 40 IKEB CCCCCCCC(=O)c1ccc(CCc2ccc(C(=O)CCCCCCC)cc2)cc1 98002690 DTXAMOUIOZJWPB-UHFFFAOYSA-N 434.664 8.558 30 40 IKEB biogenic CCCCCCCC[n+]1ccc(/C=C/C=C2/Sc3ccccc3N2C)c2ccccc21 100397493 NOZCDWYVQSXEPA-UHFFFAOYSA-N 429.653 7.585 30 40 IKEB in-vitro CCCCCCCCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 101016014 BMJZRDCNJYOZLV-RELWKKBWSA-N 431.667 6.960 30 40 IKEB CCCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 101144478 MUPAGQNIADXBRY-JUIDXRIDSA-N 447.608 6.074 30 40 IKEB C=CCn1c(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nnc1-c1ccoc1C 101354527 DCUZIIYCKFHOLN-STZFKDTASA-N 434.565 5.005 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)SC1=Nc1ccccc1 260569416 QEOGBPFVBWYANU-WNOHRPASSA-N 431.605 6.332 30 40 IKEB Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408531321 PIHFKVIXKKDIJH-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(Br)cc3)c3ccccc32)c1 408542764 NTXWMYBESQTGFC-VULFUBBASA-N 447.332 5.989 30 40 IKEB O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)Nc1ccc(F)cc1 408808792 GBQWTSLAFJAHPJ-CFRMEGHHSA-N 427.273 5.356 30 40 IKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408855611 HBCRMKVULDQLRI-MRUKODCESA-N 445.306 5.938 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408915007 SYJIKFFZSPNQKW-UHFFFAOYSA-N 448.858 5.088 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1O 408963177 XQPNBHFHDPSQGG-RIYZIHGNSA-N 443.739 5.643 30 40 IKEB C=CCOc1cc(Br)c(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OCC 409010446 KNCSLMLPLDKARK-YXHQGMJNSA-N 440.359 5.247 30 40 IKEB Cc1sc(N/N=C/c2ccc(OC(=O)c3c(F)cccc3F)cc2)nc1-c1ccccc1 409018001 GZBKYFQIUVWBFX-MZJWZYIUSA-N 449.482 6.062 30 40 IKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 409066430 ORYNYSOWZHILBB-YSURURNPSA-N 433.342 5.326 30 40 IKEB CC[C@H](C)Oc1ccccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409295268 DNBPWQZKLJKRQO-SFHVURJKSA-N 437.499 5.869 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C 650592 RDMVENMIXQUDIF-VWLOTQADSA-N 446.547 5.089 30 40 IKEB Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)cc1 1792310 OUFNIISRHFLFPT-LGJNPRDNSA-N 440.906 6.051 30 40 IKEB O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1cccc2ccccc12 2245990 KQZPTMMEYMZIIN-HSZRJFAPSA-N 445.316 6.679 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 2423686 RKESSTGBNYZSFV-NSHDSACASA-N 434.380 5.279 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccccc1Cl 2449441 YNMHXZSKQDRXKU-UHFFFAOYSA-N 441.000 5.858 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2cccc(C(=O)O)c2)N(C)C1=O 9076064 MYOJNBBTEKBGAU-YCBMQGOFSA-N 432.501 5.171 30 40 IKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 12612052 XUCXOTNIKLAVIN-HSZRJFAPSA-N 431.511 5.529 30 40 IKEB C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C)CC/C=C(\C)CC[C@H]1OC1(C)C 28248827 KABSNIWLJXCBGG-LYINBSFCSA-N 442.728 9.027 30 40 IKEB COc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1Cl 32984178 VOHNPCLGMBEFBH-UHFFFAOYSA-N 439.920 5.307 30 40 IKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 36611456 UWDBWOSDYGRQCE-GZIVZEMBSA-N 447.294 5.689 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)c3)nc2c1 38180041 LTJXEVZOTRRJBI-HEOQCTJZSA-N 429.476 6.681 30 40 IKEB Cn1c(Oc2cccc(C(F)(F)F)c2)c(/C=N/c2ccc(Cl)cc2)c2ccccc21 100265814 ZOBPGPXJWNCDRF-CCVNUDIWSA-N 428.841 7.393 30 40 IKEB CCOc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102486492 UJMDAPKVKFTMSA-MRJHHRETSA-N 448.544 5.093 30 40 IKEB FC(F)(Br)C(F)(F)CCOCCC(F)(F)C(F)(F)Br 103538979 FCZVBJBZYKOBDT-UHFFFAOYSA-N 431.943 5.029 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc([N+](=O)[O-])cc1 104360105 IVESAFZAZDHUSD-YYADALCUSA-N 448.677 6.874 30 40 IKEB C=CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1OC 408631979 CADDOAMXFIEZSL-PDGQHHTCSA-N 444.896 5.181 30 40 IKEB CCn1c(N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2ccccc21 408692250 ILLHXHGJNPXAOU-VULFUBBASA-N 439.346 6.388 30 40 IKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409213177 SQUOTEJOZPGEKT-YDZHTSKRSA-N 425.282 5.995 30 40 IKEB C=CCN1C(=O)/C(=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 409386944 HUKQEPYXUSNRGA-VLNLLYCGSA-N 443.572 5.526 30 40 IKEB CC(C)(C)c1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409388359 UKQASSIJZMUQIG-MBTHVWNTSA-N 438.930 6.545 30 40 IKEB N#Cc1ccc(Oc2cccc(NC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)c2)cc1 521497418 JHVLKXIDWMPJMT-UHFFFAOYSA-N 441.487 5.033 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2ccc(F)cc2)cc1 1457560 SZKORZTXWSYTIG-XHCCPWGMSA-N 428.507 6.122 30 40 IKEB N#Cc1c(Nc2cccc(Cl)c2)sc(C(=O)c2cc3cc(Cl)ccc3o2)c1N 1568968 CVRPJXPKIWTRQT-UHFFFAOYSA-N 428.300 6.230 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2C)c1O 2067733 BTERVLSHRYNREA-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB Cc1ccc(S(=O)(=O)/N=C(\c2ccc(Cl)cc2)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 9090639 WEDSNXWNOUSWQX-WCLIKLPVSA-N 448.935 5.010 30 40 IKEB Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1ccccc1C#N 9197813 FKJUEENSKTYPFT-IPPBACCNSA-N 447.369 6.300 30 40 IKEB Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2ccccc2c1 9261293 HEJKRQGKQJHNKF-BUVRLJJBSA-N 441.531 6.278 30 40 IKEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(CCCCC)c(=O)c2ccccc12 9712082 DGBXNZWRXKNWKU-UHFFFAOYSA-N 429.973 5.130 30 40 IKEB CN(C/C(O)=N/c1nc(-c2ccc(F)cc2)cs1)Cc1ccc(Br)s1 13019446 SXEDIHCULOPGTI-UHFFFAOYSA-N 440.363 5.493 30 40 IKEB C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)\c1ccccc1 16450998 AJNCIWHBAOHXFQ-MWAVMZGNSA-N 426.523 6.924 30 40 IKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(F)c1 17099924 RHRHGYXRPKHYFQ-UHFFFAOYSA-N 436.240 5.520 30 40 IKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O)CC(C)C 20625328 AJCAPVNAIUJHEJ-YVNNLAQVSA-N 448.390 6.429 30 40 IKEB Cc1ccc(C)c(Nc2nc3nonc3nc2N/N=C/c2ccc(Cl)cc2Cl)c1 21965956 NPCXWTVVHRSWBE-LSFURLLWSA-N 428.283 5.126 30 40 IKEB CCCCCCCc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 100917919 HUNXAMJCNBVBKA-XMMPIXPASA-N 429.560 5.941 30 40 IKEB CN(C)c1ccc(/C=N\c2ccccc2Nc2cc(-c3ccccc3)nn2CCC#N)cc1 104972724 HQWQYSUFOSSGLE-BRPDVVIDSA-N 434.547 6.024 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)cc1 223552836 KOYKSSYXDDQXPG-NLKUQUHMSA-N 433.621 6.387 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 245242064 YGBQOUNQDOEMKJ-JMWKZEAVSA-N 445.430 6.880 30 40 IKEB CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 263605349 PPUSJZGJZQKJEP-OXINFASPSA-N 434.576 5.354 30 40 IKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408771902 LCDTWCIHTNNRCR-WYMPLXKRSA-N 445.744 6.047 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NCCc1ccccc1 408806583 FNNFQYYDXKVBCN-DICXZTSXSA-N 427.331 5.482 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2cn(C)c3ccccc23)C(=O)N1C1CCCCC1 408910518 GYSKKKUGSYDLHT-FUQOYWQNSA-N 443.616 6.677 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1cc(C)ccc1C 408910785 KVZQMQBOOHLBGR-QMSJJHEMSA-N 447.516 6.096 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cc(Br)ccc3O)C(=O)N2CC(C)C)cc1 408911558 KCCGPQYBHRHEPL-ZHUAHHRVSA-N 445.382 5.723 30 40 IKEB CC(C)Oc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 408970311 FSZFBQRPGQYOOS-MTDXEUNCSA-N 446.616 7.197 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC 409348988 TYROXOAXNAMNLV-WQRHYEAKSA-N 449.956 5.848 30 40 IKEB CCOc1ccc(/N=C2/S/C(=C\c3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1 1011938 XBISUPUJBROKNQ-AGSDWXNQSA-N 446.956 5.380 30 40 IKEB Sc1nnc(-c2ccccc2)n1/N=C/c1ccc(-c2ccc(Br)cc2)o1 1948184 JOVGUMFGBVGINY-CIAFOILYSA-N 425.311 5.139 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O 3066629 BKIXRPCZJJTDDV-PGGKNCGUSA-N 446.221 6.305 30 40 IKEB Cc1c(Cl)c(C)c(/C=N/c2cc(-c3ccccc3)ccc2O)c(O)c1Br 3068532 WLOHQRDRFSRNKE-BHGWPJFGSA-N 430.729 6.548 30 40 IKEB CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1 3419636 MWBYKHRHSIVOPB-GOSISDBHSA-N 442.997 5.734 30 40 IKEB Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)/C=C/c1ccc2c(c1)OCO2 5852862 HUWFWRBOYDPAPI-QHHAFSJGSA-N 433.316 6.127 30 40 IKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC1=NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 8830090 XGBYPXJUPDRINW-USXBGQAZSA-N 432.387 5.211 30 40 IKEB CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 8951397 UNEWJJCUZQOVOH-FVOVHSBVSA-N 441.003 5.097 30 40 IKEB N#CCCn1cc(/C=C/C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c2ccccc21 9711872 NWRWOYNTZGUVHM-ZVQQDINOSA-N 440.572 5.932 30 40 IKEB COc1ccc([S@@](=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 12952333 NULPBHCJUKOVDF-LJAQVGFWSA-N 445.327 5.293 30 40 IKEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 16737287 QDHOQDLLPRIKRU-HXUWFJFHSA-N 436.533 5.255 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 28182545 FOPXAJBARZWKLR-GATIEOLUSA-N 447.893 6.649 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 59104679 BSIVTOYBEQFZOB-WPWMEQJKSA-N 431.488 5.671 30 40 IKEB CC(=O)OC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 59428058 XOBSPUSJSCBDDR-NRFANRHFSA-N 442.471 5.112 30 40 IKEB CC(C)(C)c1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc(C(C)(C)C)c1O 408751847 CWNXEWFOYHDKJF-CPNJWEJPSA-N 443.012 6.532 30 40 IKEB Cc1cc(I)ccc1/N=C\c1cc(C)n(-c2ccc(F)cc2)c1C 408775978 LMZHMUJJYKZBOQ-FMCGGJTJSA-N 432.280 5.897 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(C2CCCCC2)c1C 408793292 DNNPJVWPULZBBC-HSZRJFAPSA-N 430.548 5.352 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3Br)c2C)c1 408967157 QDTIRBFJZQBILG-OYKKKHCWSA-N 425.326 5.784 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)S/C1=N/c1ccc(Cl)cc1 409078865 IOOQDTOFEPLWKR-SGXAETBLSA-N 440.012 6.263 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br 409199404 CLYHOODRUYOWEQ-XYPGZMMYSA-N 439.419 5.716 30 40 IKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1Cl 409217854 XPIGKGUKOZYWTH-RDRPBHBLSA-N 443.930 7.471 30 40 IKEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 2415848 HBAPEQCAOZZERL-IQDOGGMESA-N 432.859 5.740 30 40 IKEB CCCCN(CCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 3171405 ZUGIMUDIVDQNJJ-GOSISDBHSA-N 448.430 5.651 30 40 IKEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 3176632 AKIZFOBIXPHFNG-DSNGMDLFSA-N 435.914 5.624 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 4082976 ODDZZRWZCIJQFO-OOWIMERYSA-N 442.562 7.333 30 40 IKEB Cc1ccc(C(=O)O/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)cc1 8782139 XQDGDQVVTQISQW-VULFUBBASA-N 449.963 6.094 30 40 IKEB CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 9241462 TVYGVLXBISWPIF-LJQANCHMSA-N 436.508 5.363 30 40 IKEB O=C(Nc1ccccc1Cl)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12959259 BOZHKOACNZJEFC-GHOZOMOVSA-N 432.820 5.419 30 40 IKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)c(OC)c1 14083651 IZHIIJDVRLJQEE-UHFFFAOYSA-N 436.364 5.747 30 40 IKEB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 14183617 AEGNEWZDVWDISL-AWEZNQCLSA-N 438.578 5.366 30 40 IKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 14359021 GEEKBYBQYWOYQR-KBKYJPHKSA-N 448.901 6.822 30 40 IKEB Cc1ccc([C@H]2N/C(=N\c3nc4ccccc4s3)Nc3c2c(=O)[nH]c2ccccc32)cc1 17101514 QMLCRTSUGQQWFP-OAQYLSRUSA-N 437.528 5.238 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2noc(-c3ccccc3)c2c1 36636062 DHZZAXYIVJWVSC-SDNWHVSQSA-N 436.423 6.559 30 40 IKEB COc1ccc(OC)c(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 59463677 IZXKOJJHQIGXCA-MFKUBSTISA-N 445.500 6.153 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H]1CO1 95676655 NTCFPSIOLPOKNV-VKHMYHEASA-N 426.119 5.149 30 40 IKEB CCCCCCCCCCCCC/C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCC 98209415 APDLCSPGWPLYEQ-MMGYXDHVSA-N 425.698 6.442 30 40 IKEB in-vitro C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 226336409 YTRJMHBMNVPONQ-QPJJXVBHSA-N 427.711 5.977 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 253617572 WKXDFOKWTASGPK-PSVXQNMFSA-N 432.604 5.664 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(Br)c3)c3ccccc32)c1 408544001 RHHCOFMPULRTGD-VULFUBBASA-N 447.332 5.989 30 40 IKEB Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 408722412 IKIDJSPTNCCYDJ-FVDSYPCUSA-N 444.531 6.313 30 40 IKEB O=C1NC(=Nc2ccc(Br)c(Cl)c2)S/C1=C\c1ccc(O)c(Cl)c1 408768883 KVEYDOVGRXQBQN-NSIKDUERSA-N 444.137 5.353 30 40 IKEB Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)o2)c([N+](=O)[O-])c1 408887009 KXPPAYBVXAIFLD-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc2ccccc2c1 408913201 UCKKIVLSWFLQTF-UHFFFAOYSA-N 434.491 6.280 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(Br)s2)S/C1=N/c1ccccc1 408929286 UUAYVERQXDYRRH-CQMAYKHBSA-N 437.384 5.151 30 40 IKEB CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=Nc1ccc(Cl)cc1 409019456 ZDLVTVBDKXGDDL-GIFQUSADSA-N 430.957 5.760 30 40 IKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1Cl 409069409 XPACNBBIKXVPBI-CVKSISIWSA-N 436.895 6.315 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2cc(C)n(C3CC3)c2C)C1=O 409139429 NLXUBQIZQXDQRK-UNOMPAQXSA-N 442.968 5.637 30 40 IKEB Brc1ccc(N/N=C\c2cn(CCOc3ccccc3)c3ccccc23)cc1 409214507 XWGRWBIMIXJWNE-XYGWBWBKSA-N 434.337 5.929 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(C(=O)O)ccc1OCCCC 585263996 WNDPMJWDANZPBO-OFQSIMQFSA-N 442.983 7.043 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 2807285 VMWGBDZMGOXHLP-JXKYSLRESA-N 442.540 5.899 30 40 IKEB Cc1cc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)n1-c1ccc2c(c1)OCO2 3323904 UEGMGOPTKBCILK-UHFFFAOYSA-N 442.500 5.070 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 9380311 GKRCOIVEKBWVGT-OAQYLSRUSA-N 448.316 5.540 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(Cl)cc1 9478367 CKCHEFNBHAYCKP-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C#N)cc2)NC(=O)N1c1ccc(C)cc1 9516923 UBMGMVHAONPSAE-RUZDIDTESA-N 436.515 5.359 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cc4ccccc4o3)c2C#N)C1 17101604 PADFLBXZWFDJNL-CQSZACIVSA-N 437.590 5.644 30 40 IKEB CCCCc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 17207494 PBYWDJLGRIYTCW-UHFFFAOYSA-O 443.398 5.677 30 40 IKEB C1=C(Nc2ccccc2)/C(=N/c2ccccc2)C=C(Nc2ccccc2)/C1=N/c1ccccc1 18146091 IDDYUZBZSSUAGK-NUOLXNBNSA-N 440.550 7.537 30 40 IKEB Cc1sc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Cl)cc1 19841451 TWFLECLYFUYWKW-UHFFFAOYSA-N 437.996 6.464 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1cccc(F)c1 21722750 VPGWWVZGGHPBTM-RUZDIDTESA-N 447.535 5.506 30 40 IKEB Cc1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c(C)c1 84133245 ZLWITSBSHPGNHJ-LQKURTRISA-N 434.499 5.709 30 40 IKEB COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 100298090 YNYOPHJNYDOHFX-JWMLTMDESA-N 430.529 5.074 30 40 IKEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102580581 BIGUSMGZIZKJAE-ZHHPLPSFSA-N 431.919 6.090 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 102721274 DRSYIQCDSLXEDX-MRJHHRETSA-N 444.512 5.386 30 40 IKEB O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102926324 CEADUZPXBWGMOR-IBOXJLQUSA-N 431.300 5.076 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1 107620652 SMUGRLSEXUVCTI-YUMHPJSZSA-N 432.520 5.270 30 40 IKEB CCOc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCc1ccccc1 136030415 DVFRERMNILFVNZ-DZDFLSMNSA-N 436.558 5.539 30 40 IKEB C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)\c1ccccc1OCc1ccccc1 408737827 YDJDPTLYLNBUMS-MWAVMZGNSA-N 429.523 6.869 30 40 IKEB Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1C 408787168 SVQINVUUVKZSDG-OPEKNORGSA-N 444.318 5.209 30 40 IKEB COc1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)ccc1OCc1cccc(C(=O)O)c1 408850843 SCFAXTCEHQJRIV-ROTLSHHCSA-N 439.851 5.075 30 40 IKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C(=O)N1CC 408928339 ABPPITRCLXQVGH-JUAGQRJUSA-N 446.414 5.477 30 40 IKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc4ccccc4c3)N(C)C2=O)cc1 408955710 YQUXIAHAVRSGMA-SIFMURAYSA-N 439.540 5.873 30 40 IKEB Cc1cccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)c1C 409211693 OBILXWBFPKBDQY-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB Cc1cccc(COc2ccccc2/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 409217229 TYRCUQGMTZTADI-AILRPVNASA-N 442.628 7.409 30 40 IKEB COCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)SC1=Nc1ccccc1 409255272 YRCFHASCUQSOCI-UECNKTLHSA-N 446.576 5.130 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 504472490 RSYAEGYTIQGKTB-XORGQFKQSA-N 428.701 8.248 30 40 IKEB CC#CC(CC(=O)O)=C1C=C[C](OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)C=C1 1560406222 MPVIHJPSDDNUNX-UHFFFAOYSA-N 437.437 6.342 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(C)cc2)[C@H](C)O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)O 2037875385 QEJIFLSLWLJXHG-HZNUMKHLSA-N 432.919 6.077 30 40 IKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 1302901 UXKCHHHHPPYGOV-HSZRJFAPSA-N 433.508 5.394 30 40 IKEB Cc1cc(C)c2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 1884430 YPPRBAZKCCDRNP-KBKYJPHKSA-N 425.315 7.183 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)SC3 2280225 ACQMVYIAYUTQEN-UHFFFAOYSA-N 428.648 5.992 30 40 IKEB C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 2403117 JYEZQAIALKNHMA-OAQYLSRUSA-N 448.862 5.057 30 40 IKEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 6077349 LIRXJRWOKNJMBE-IQMFZBJNSA-N 447.585 5.205 30 40 IKEB N#Cc1c(/C=C/c2ccc(F)cc2)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2 8873206 GBXNYXZIJQGOTF-YRNVUSSQSA-N 446.437 5.870 30 40 IKEB CC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC(F)F)cc1 9373396 NSMRBIFQENEVOQ-FTPVDGMKSA-N 447.507 5.047 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC(C)C)cc1 9805262 DLMCFGIKAGDIIT-PBBNMVCDSA-N 438.571 6.762 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccs3)o2)n(C2CCCCC2)c1C 9994313 IRIBAKMAWYQIKP-UHFFFAOYSA-N 441.582 5.324 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@@]3(C)CC[C@@H]21 10272337 SDYMIDMUFXWPCF-WBXUZMBQSA-N 438.514 6.415 30 40 IKEB C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1ccc(Br)cc1 12603744 OAKJJKLYPDOIPE-KEUFMJMZSA-N 448.389 6.059 30 40 IKEB COc1cc(/C=C/c2cc(-c3ccc(C)cc3)n3c(nc4ccccc43)c2C#N)cc(OC)c1 13134259 AUAJLWJCAAMORX-JLHYYAGUSA-N 445.522 6.522 30 40 IKEB COc1ccc(/C=N\c2nc3c4ccccc4nc(/C=C/c4ccc(OC)cc4)n3n2)cc1 16215874 ZWHMREMTKWMYFD-NNHGJSDKSA-N 435.487 5.216 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C1=O 33313568 FSECSJONKAOSII-LDADJPATSA-N 430.323 5.250 30 40 IKEB COc1ccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C#N)cc3)N2)cc1 80324787 DOFKCSOVVDYOFQ-VWNXMTODSA-N 446.348 5.552 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1O 100507158 HGEKBKOYBBFYHE-BRJLIKDPSA-N 431.448 5.793 30 40 IKEB O=C(Oc1ccccc1/C=N/c1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100816330 NBFSSJCVZYMBBL-MFKUBSTISA-N 441.399 5.626 30 40 IKEB Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C1=O)S2 253505524 YMDSWPZYGHRYGY-VLJXVNROSA-N 438.702 8.016 30 40 IKEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C(=O)N1C 408852026 PWELQAVQAGYUAC-BBZGBGGVSA-N 449.551 5.344 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408934464 AXZLGUIZJPHXLA-PYYTVRKUSA-N 445.360 6.732 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCCCC2 408971415 ODVXUFQYUDPMJP-CVKSISIWSA-N 432.545 6.139 30 40 IKEB Oc1c(I)cc(Br)cc1/C=N\c1ccccc1Cl 409096425 JSJDJGVLIOLNOP-IDUWFGFVSA-N 436.474 5.163 30 40 IKEB O=C(Nc1cccnc1)c1c(/N=C/c2ccc(OC(F)F)cc2)sc2c1CCCC2 409155017 LEMCUPZDAHLGPQ-RPPGKUMJSA-N 427.476 5.626 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 409209950 JWQFSORPWNCWHB-WOJGMQOQSA-N 448.327 5.645 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c1 409210876 LIIOMSYKKWZXFB-VUTHCHCSSA-N 436.511 6.555 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 409212172 PUBANDWJBOQCDE-VULFUBBASA-N 442.328 6.489 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1OCc1ccc(F)cc1 409401090 CCIQVMISDZYUDI-UHFFFAOYSA-N 449.485 5.664 30 40 IKEB Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3ccc4ccccc4c3)CC2)n1 585295184 OYAFJSNHMOMURC-UHFFFAOYSA-N 434.547 5.328 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781255 LNQPVILKDZBTBG-KSFYIVLOSA-N 425.525 5.200 30 40 IKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc([C@H](C)CC)cc1 2360269 HBUDVDLJFRZUIY-MRXNPFEDSA-N 426.611 5.361 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 8384742 CYIIRMAPQJFOFV-AERZKKPOSA-N 433.147 6.575 30 40 IKEB O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1 8386613 CIHHNIOZHNJFRI-ULEDHRJNSA-N 440.724 6.472 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 8821190 ZXQUKNCZKGSWDN-YVLHZVERSA-N 438.858 5.815 30 40 IKEB Cc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 8857099 OCXRYRIXDALDHC-ZGMCHLIBSA-N 442.317 6.806 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(F)c3)sc2c1 8974038 VDWMHFYHGMWJQZ-FQEVSTJZSA-N 448.475 5.428 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 9123674 IPXNMDZBBAOBAZ-IBGZPJMESA-N 438.936 5.505 30 40 IKEB Clc1cc(Cl)c(N/N=C2\C(SCc3ccccc3)=Nc3ccccc32)c(Cl)c1 12960109 LKLZISKBWBHKLX-XHPQRKPJSA-N 446.790 7.440 30 40 IKEB CCOc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O 16689338 SRBMJRDAERVICJ-ZMOGYAJESA-N 437.293 6.112 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2C#N)C1 17100040 POKKOXYKBYYTQJ-GFCCVEGCSA-N 436.408 7.112 30 40 IKEB O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(O)nc(SCc3ccccc3)nc1N2 17189610 HYXHVBPDTHCYGJ-LJQANCHMSA-N 433.508 5.178 30 40 IKEB CCCCN(CCCC)Cc1c(O)cc(C)c2c1O/C(=C/c1cc3ccccc3o1)C2=O 20649852 RCYVTNDOESHAPC-LFVJCYFKSA-N 433.548 6.465 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO)NC(=O)CCCCCCC 85605904 APDLCSPGWPLYEQ-BKSWAVPISA-N 425.698 6.442 30 40 IKEB in-vitro Cc1ccc(C23C[C@@H]4C[C@@H](CC(C/N=C\c5cc(Br)ccc5O)(C4)C2)C3)cc1 100135212 GCVZMEBNERJKMV-AVVWDCPWSA-N 438.409 6.420 30 40 IKEB Cc1ccc(/C=N/N=C2/c3ccccc3C(=O)[C@H]2C(=O)C(c2ccccc2)c2ccccc2)o1 100562999 FKVYXZYTHRLFEK-HSKNAQPBSA-N 446.506 5.625 30 40 IKEB CCCCCCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC 408540425 RPTYOMUPAUKUCQ-UHFFFAOYSA-N 437.580 5.698 30 40 IKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 408560879 FKKCKPYXBYCTLP-UHFFFAOYSA-N 440.535 5.727 30 40 IKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1 408709188 PJDVDOHCZMRBBA-UHFFFAOYSA-N 425.411 5.733 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC(=O)c4ccc(C)cc4)c3)S2)cc1 408892789 CXKDPTIZSADPTE-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2ccc(OC)cc2)cc1OCC 409200931 KLWKQEZIRLTPMG-FYJGNVAPSA-N 437.277 5.014 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 409210588 LEPVPZXPTUMPFW-CVKSISIWSA-N 438.365 6.794 30 40 IKEB CCCCc1ccc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 585294746 JADLJFPTRLNCAD-NRFANRHFSA-N 437.638 6.285 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)nc3)n2)cc1 664154 IJOMLHPFSDBLTA-UHFFFAOYSA-N 435.858 5.988 30 40 IKEB O/C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)=N\c1ccccc1Cl 6552182 YDVBSBXXEWWMDK-UHFFFAOYSA-N 425.901 5.015 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC/C=C/c4ccccc4)ccc3C1=O)cn2C 9422279 OENFZVOFWPXJOD-FBLKOXEQSA-N 437.495 5.895 30 40 IKEB CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C(C)=N/c1ccc(C(=O)OCC)cc1 9659299 HGXDURJPDXWHMU-MFKUBSTISA-N 448.548 5.458 30 40 IKEB N#C[C@H](C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1 13148084 NOZFJVJCQZHKGF-FQEVSTJZSA-N 434.540 5.558 30 40 IKEB O=[N+]([O-])c1cc2c(cc1C/C(=N/Nc1ccccc1)c1ccccc1)n1n(-c3ccccc3)n21 13402262 KTTBWFUEGNXKQG-NFFVHWSESA-N 448.486 5.388 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccc(Br)cc1 13880418 MFSNZNWQDYIEIF-ZHZULCJRSA-N 434.289 5.373 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)Sc1ccccc1N2 14671929 MVHNPWLMMBPGMX-VWLOTQADSA-N 427.525 6.172 30 40 IKEB COc1cc2c(cc1OC)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2 18197158 IJBQHCMRVOKICQ-AREMUKBSSA-N 427.500 6.061 30 40 IKEB N#Cc1cc2c(N)c(C(=O)Nc3ccccc3SCc3ccc(F)cc3)sc2nc1N 20080979 ZIOHSOUIIVMWJZ-UHFFFAOYSA-N 449.536 5.016 30 40 IKEB COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 30770039 IJBHQMFLZRYIRY-HAHDFKILSA-N 430.479 5.110 30 40 IKEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCCC3)/C2=N\c2c(C)cc(C)cc2C)cc1 33435818 MHQBTGSCKXEFFD-MMZFVREHSA-N 443.635 6.412 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc(Br)c(N4CCCC4)o3)cc2)cc1 59248252 BJKMJRVZKGWLPZ-BUVRLJJBSA-N 441.325 6.194 30 40 IKEB COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccc(C(F)(F)F)c2)cc1OC 97831950 QJAGHBOYBSOUKL-XAYXJRQQSA-N 440.421 5.330 30 40 IKEB C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCc1ccc(C)cc1 108975706 YBYUFJUHPFFGOF-UHFFFAOYSA-N 447.391 5.302 30 40 IKEB CCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC 408540277 PMMIBGVTNVJRTI-UHFFFAOYSA-N 437.580 5.745 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(F)c(Cl)c1 408608029 MAQKPVLCQWKMMW-UHFFFAOYSA-N 449.545 6.181 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)S2)cc1 408785828 ZTKJCBNECLQCMN-BWAHOGKJSA-N 449.579 6.653 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2I)c1C 408854486 GOPNIGAYMVYEBI-OYKKKHCWSA-N 442.344 6.320 30 40 IKEB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1 409016166 DKDBMVBLPPJPIP-HMAPJEAMSA-N 430.485 5.242 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc(N3CCCC3)cc2)sc2c1CCCC2 409058375 OEAPIUSAJQXJSB-OVVQPSECSA-N 429.589 6.230 30 40 IKEB COc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl 409234198 NEEXQRJZRNRPQO-OVCLIPMQSA-N 427.740 5.855 30 40 IKEB CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC(C)C 409402784 JJSVNFPDMUSDTI-UHFFFAOYSA-N 427.504 5.132 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)ccc1Cl 3085021 QHZMOMXXRNOQRI-VULFUBBASA-N 427.847 6.960 30 40 IKEB C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 3282272 XZAXXHAISRZBFW-UHFFFAOYSA-N 435.593 5.932 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4061681 SEXTWCBGUMZWDP-XMMPIXPASA-N 437.580 5.565 30 40 IKEB Clc1ccc(/C=N/n2cc(-c3ccccc3)n3cc(-c4ccccc4)nc23)c(Cl)c1 8437369 VFVSXPCJCHEBLZ-MZJWZYIUSA-N 431.326 6.659 30 40 IKEB COc1cccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccc(OC)cc24)C3=O)c1 8993463 WZAIHFAOJMPCHQ-RPPGKUMJSA-N 441.483 5.391 30 40 IKEB CC1(C)Nc2ccccc2-c2c1ss/c2=[S+]\C(=O)C12CC3CC(CC(C3)C1)C2 9245784 VCJOTSKAOOWOPJ-UHFFFAOYSA-N 428.668 6.495 30 40 IKEB CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 9972251 FYCTYEMAPAOEEF-UZTOHYMASA-N 427.523 5.871 30 40 IKEB O=C(Nc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1)c1ccco1 16430188 ZVWBBLQHMVGUSE-DHRITJCHSA-N 425.271 6.849 30 40 IKEB O=c1c(/C=N/Cc2ccccc2Cl)c(NCc2ccccc2Cl)nc2ccccn12 16734006 KDEACMWERYGTRD-CVKSISIWSA-N 437.330 5.233 30 40 IKEB COc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl 17101225 OWBIPGXQQPCSSD-GFCCVEGCSA-N 437.392 6.338 30 40 IKEB O=C1N[C@@](c2ccccc2)(C(F)(F)F)S/C(=N\C2CCCCC2)N1C1CCCCC1 17178370 QXPCMONMGSTKOM-MLQDUXEUSA-N 439.547 6.182 30 40 IKEB COc1ccc(CN/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1OC 20196585 UZSAPVXLISAODK-RDRPBHBLSA-N 426.516 5.560 30 40 IKEB COc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 60083868 BRTVSWJQDFKVEW-UHFFFAOYSA-N 437.839 5.197 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 100856768 CTJRALVEOGVEIZ-NKFKGCMQSA-N 439.646 7.140 30 40 IKEB C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCc1ccc(Cl)c(Cl)c1 107597876 MLUATNKCUYVYAH-UHFFFAOYSA-N 447.391 5.302 30 40 IKEB CC(C)(C)OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 169795782 SMXXKASMDRIIPY-UHFFFAOYSA-N 432.201 5.380 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 224374900 OPMIKEJGPCCFMX-UHFFFAOYSA-N 448.588 5.752 30 40 IKEB C=CCOC(=O)c1cc(Br)c(OCc2cccc3ccccc23)c(OCC)c1 226325239 BVIHBEHPDJRDNY-UHFFFAOYSA-N 441.321 5.923 30 40 IKEB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 253505255 FHIHDASURXFVSB-JQTRSZAISA-N 444.585 7.913 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408781390 CTXNPKAQYIOQGU-DUBROFONSA-N 430.957 5.075 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)S1 408782559 KDHWVWHCEMHUCP-MTJSOVHGSA-N 432.505 5.202 30 40 IKEB COc1cccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1OC 408928111 ZNYINRCHEUUXNZ-YUMHPJSZSA-N 434.561 5.325 30 40 IKEB Cc1ccccc1NC(=O)COc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 409011267 GTYIHFUOBQHFGB-ZTKZIYFRSA-N 435.527 6.185 30 40 IKEB C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccccc1OCc1cccc2ccccc12 409213305 UDCUKYFDKYRXQI-NJZRLIGZSA-N 429.519 7.962 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CCC(=O)O)ccc1OCC 585263885 BMDCJHITICNRKM-OQGNEYSTSA-N 442.983 6.582 30 40 IKEB COc1cccc(CC/N=C2/NCCCCCCOc3ccccc3Oc3ncccc32)c1 643588756 KKVNFDJJYJOBOR-UHFFFAOYSA-N 445.563 5.414 30 40 IKEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 688884 LKOYHHDDYIPSGE-VWLOTQADSA-N 432.564 5.884 30 40 IKEB N#C[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 1389524 FGFBGJULTWVNAN-GFCCVEGCSA-N 426.276 5.231 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(C)cc2)cc1 4048245 FPATUPQCSJXTIT-SLJQUXCSSA-N 443.597 6.482 30 40 IKEB CN1/C(=C2/S/C(=N\Cc3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 4105639 RFEVNYPIKBENJP-NPGCFZLRSA-N 447.560 5.873 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O 8424517 RNUUUNQDFWLRLC-WBUAKJRLSA-N 436.920 5.863 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nccs2)cc1 8740615 YLLYBCVDOLFYLA-HXUWFJFHSA-N 434.517 5.022 30 40 IKEB CC(=O)[C@@H](/C=N/OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 8781450 TXCHEWSILUXDLK-VKKHMPROSA-N 448.133 5.647 30 40 IKEB C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nc2sc(C)c(C)c2c1=O 8944320 VWSRGZRCAOMKMN-UHFFFAOYSA-N 444.969 5.257 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1S[C@H](C(=O)O)c1ccccc1 9008784 OLBXYKKAKRFEBJ-QFIPXVFZSA-N 428.538 6.267 30 40 IKEB C=CCn1c(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc21 9609741 NAMDDMJRMHHDQM-QGZVFWFLSA-N 448.617 5.330 30 40 IKEB Cc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccccc1 12559561 QXLIVKPDAHNTSA-MOHJPFBDSA-N 434.564 7.127 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c1 13567799 FTDNNXYVSHQFCT-KRWDZBQOSA-N 439.939 5.521 30 40 IKEB COc1ccc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc1 15219416 RUPLGVSGZVWVJE-STBIYBPSSA-N 438.483 6.262 30 40 IKEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)CCCC3 15225756 QWEHCEDDJCDYNU-BHGWPJFGSA-N 441.965 5.617 30 40 IKEB CC(=O)/C(=N\Nc1ccccc1Cl)Sc1nnc(-c2ccccc2)n1-c1ccccc1 15986310 LZUWGRSHFSSZJL-HPNDGRJYSA-N 447.951 5.694 30 40 IKEB CCCCCCCCCNc1c2c(nc3ccc(Br)cc13)CC(C)(C)CC2=O 53319471 AXIKBAJZCMGMSL-UHFFFAOYSA-N 445.445 7.315 30 40 IKEB O=S(=O)(/N=C(/N=C(\Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 96653046 KSAJPVALNWFCIF-HBOGUZBZSA-N 440.524 5.348 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 98085670 JJKRMBINZRBIBL-VUTHCHCSSA-N 431.495 5.525 30 40 IKEB CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)S/C1=N/c1ccc(C(=O)O)cc1 100937107 MFPBQMSYTNYJED-XJJUFAKPSA-N 437.304 5.021 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1Cl 102623805 BINWNJFDVAGUQV-MRJHHRETSA-N 448.862 5.183 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 104086762 NXUKRGQBLOKKPD-MRJHHRETSA-N 448.316 5.384 30 40 IKEB FC(F)(F)C1(C(F)(F)F)O/C(=N\Cc2ccccc2)C(C(F)(F)F)(C(F)(F)F)O1 169803080 IOMYJXZLWMRNFZ-PZOKPFNQSA-N 449.191 5.316 30 40 IKEB CCCCOc1ccc(Br)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 408532779 OYEAIFRWDUJWNE-UHFFFAOYSA-N 444.369 5.329 30 40 IKEB C#CCOc1c(CC=C)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC 408766180 PNMCMILEBZVKJV-QJOMJCCJSA-N 446.572 5.280 30 40 IKEB COc1cc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1Br 408908276 RANLQJKRJZQESD-HFYOLELGSA-N 447.354 5.009 30 40 IKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)ccc1OC 408938305 PZYCHQHCNDJMLI-QFNSRWMKSA-N 438.571 6.979 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3cccc4cccnc34)o2)S1 408989984 JPZPHUXTGQYZDC-ZHZULCJRSA-N 443.553 6.179 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccccc1F 409110143 SIWSYTHEDRBTMH-UHFFFAOYSA-N 439.958 7.106 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(N=C3C(=O)Nc4ccc(Br)cc43)c2C#N)C1 409134382 PAYDQAIBIRNDCS-LLVKDONJSA-N 442.382 5.606 30 40 IKEB COC(=O)c1ccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)cc1 409161148 YVTHDANOLJKQIS-LSRULMOLSA-N 433.533 5.243 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CC(=O)O)ccc1OCCC 2037854335 RYJBKCCWHBCCHV-LIYOMKHYSA-N 442.983 6.582 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cc2ccccc2o1 1105589 WZFNAKXTOBHBJE-UHFFFAOYSA-N 432.549 5.533 30 40 IKEB CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1713506 MKNJWAXSYGAMGJ-UHFFFAOYSA-N 448.645 8.780 30 40 IKEB in-vitro CC/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCCCC1 2051361 HSUVZLRXKILBAM-LRWZUSMTSA-N 442.412 5.365 30 40 IKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c5ccccc5cc5ccccc45)c3)oc2c1 2071782 PDTYYXNUJLDUBR-FDAWAROLSA-N 426.519 8.169 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 3098420 IOUHODBDRMQFMG-NRFANRHFSA-N 448.390 6.083 30 40 IKEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)cc1 4793485 DLZUCPMONZJFMT-HXUWFJFHSA-N 447.535 5.074 30 40 IKEB Cc1cc(C(F)(F)F)nc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1C#N 8430486 NAMLXOBGISPGOC-JHMRYYBSSA-N 437.531 5.094 30 40 IKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)cc2)cc1 8820757 JVZIUOHVRIPTAI-IWIPYMOSSA-N 428.557 6.082 30 40 IKEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc(Br)cc1 8821167 ICPCJTZRLJELSE-ZROIWOOFSA-N 438.144 5.103 30 40 IKEB O=C(C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 9849826 RTQUVIKQMWQVQF-FXFSXJFASA-N 435.936 5.505 30 40 IKEB CC1=C(C)C[C@H](C(=O)Nc2sc(C)c(-c3ccc(C(C)C)cc3)c2C#N)[C@@H](C(=O)O)C1 13989220 CKSASDPGDWBESL-PMACEKPBSA-N 436.577 6.104 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1)c1cc2ccccc2o1 16806160 AWACMYWSLBVEDN-QFIPXVFZSA-N 429.497 5.315 30 40 IKEB C=CCn1c(SCc2ccccc2C)nnc1-c1csc(C)c1-c1ccc(C)cc1 17097696 VUMQAXCVMKNJJE-UHFFFAOYSA-N 431.630 7.077 30 40 IKEB Cc1ccc(-n2c(N/N=C/c3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 36077383 JVVBGAUUMSLVNP-VULFUBBASA-N 444.560 5.053 30 40 IKEB CCOC(=O)N1C=C[C@@H]2C=C[C@H]1[C@@]1(C)C(=O)C(C)=C(c3ccccc3)[C@]21c1ccccc1 45069564 ZLEIAUDTJAGXJQ-GOUQPXDXSA-N 425.528 5.528 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 51366985 WLVVQLIZCFBEMH-MLKPGFSBSA-N 445.588 5.873 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 100856196 NZBVUBDPWGGZOS-PYCFMQQDSA-N 425.619 6.832 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1OC 104348843 PZGJHGVAFWYJJA-QYQHSDTDSA-N 433.706 6.975 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)SC1=Nc1ccccc1 260565709 JQIGWLKZZUCQEL-VYYDMKJGSA-N 445.632 6.721 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(C)cc3)S2)cc1 408900825 XTPAGEFDHSKGGW-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(CC)C2=O)cc1Cl 409013122 SUYVZEYOFOSYTF-IXJADQOWSA-N 449.403 6.795 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc4c(cc3Br)OCO4)c2C#N)C1 409081276 KGDONHZMGVZKNB-VRVUXBDFSA-N 445.382 6.013 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(C)c1 409105189 JPXBNAVYSDPBNT-XODNFHPESA-N 429.442 5.833 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 409199031 BAFXLGLAQSVBEN-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB C(=N/c1ccc(Oc2ccccc2)cc1)\c1c(OCc2ccccc2)ccc2ccccc12 409214263 WTUHDOXWGYUASG-NJZRLIGZSA-N 429.519 7.962 30 40 IKEB Cc1cc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c(C)n1C(C)C 409281122 COZKILLSOHZMDH-UHFFFAOYSA-N 443.389 5.338 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(-c2ccc(F)cc2)o1 409304419 JYUIXQQHNHGQAN-UHFFFAOYSA-N 449.441 6.091 30 40 IKEB COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NC3CCCC3)n2)cc1 662332 SAZSAFCWQHBNKT-UHFFFAOYSA-N 449.601 5.508 30 40 IKEB N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 865635 DBSYBNNTKIBHEC-JKSUJKDBSA-N 445.832 5.321 30 40 IKEB CCCCCCNC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc12 2248052 BLRZSJNFXKOPLZ-RWPZCVJISA-N 448.958 5.012 30 40 IKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 2444650 SZRDGFJAHOUEQX-UHFFFAOYSA-N 432.420 7.028 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)cc1 3146381 BSKNHUYOLRAHTQ-XMMPIXPASA-N 439.596 5.813 30 40 IKEB CCCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1ccc(OC)cc1 3324444 BNEQDWCHNPCVRI-QUUARBKMSA-N 445.382 5.862 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9373997 UXTPZGVLHFSGCQ-HXUWFJFHSA-N 442.273 5.915 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c2ccccc21 9422732 ZGINXNMAINJUFH-MFKUBSTISA-N 437.495 6.113 30 40 IKEB C=CCNC(=S)N/N=C/c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 9553634 QWTWPCQXMXSMLY-MTDXEUNCSA-N 448.636 5.310 30 40 IKEB N#Cc1ccc(OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c(Cl)c1 12794743 XYJNGJYSIGEWFF-IBGZPJMESA-N 445.862 5.308 30 40 IKEB C=CCn1c(S[C@H](C)C(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 12819693 WGDMCVSGBWVNKH-MRXNPFEDSA-N 438.984 5.245 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc2ccccc12 14133284 VVRUEIAONZCXGB-UHFFFAOYSA-N 444.560 5.236 30 40 IKEB COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 16407681 HRJLIQNJSLIURR-ZRDIBKRKSA-N 434.488 5.196 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 16449847 DTGOSLVVQYMMSV-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1ccccc1OCc1ccccc1 16480745 FHIZGPPMNQEYQC-VYVUJPJFSA-N 442.334 6.287 30 40 IKEB CC(C)(C)c1ccc(-c2nnc(S)n2/N=C/C(Br)=C\c2ccccc2)cc1 17161634 TYPNHNNGNDVJIU-NXUONHHFSA-N 441.398 5.801 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@@H]3c2ccccc2Cl)cc1OC 18199313 FGWIEEWJNLXGFK-WNSKOXEYSA-N 449.938 5.347 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N\c3cccc4ccccc34)cc2)cc1 19118351 JFHZPJRQSGWFOV-OFWBYEQRSA-N 437.539 7.379 30 40 IKEB C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl 32193765 RAGZYOLCJBYHIK-UHFFFAOYSA-N 437.967 5.325 30 40 IKEB O=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 33338160 QDEOGOZAGMTWLH-WCTVFOPTSA-N 443.978 5.720 30 40 IKEB CN(C)c1ccc(/C=C/C2=CC(=C3C(=O)c4ccccc4C3=O)C=C(c3ccccc3)O2)cc1 57478264 JTIXVXBDINYAGE-SAPNQHFASA-N 445.518 6.097 30 40 IKEB CCN(CC)c1ccc(/C=N/c2ccc(NC(C)=C3C(=O)c4ccccc4C3=O)cc2)cc1 100698319 NZTXDOAQZXUUES-RDRPBHBLSA-N 437.543 6.049 30 40 IKEB CCCCCCCCCCOc1ccc(-c2ncc(OCCCCCCCC)cn2)cc1 101039375 XYGUNTNTTDQAGL-UHFFFAOYSA-N 440.672 8.402 30 40 IKEB O=C1c2ccccc2/C(=N\N=C\c2ccncc2)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 101455214 YJCVZBBPFJNCMB-ZWIWMWKMSA-N 443.506 5.119 30 40 IKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCCSCCOC(C)=O 104137710 IUZMMIWMHAGIMN-KHPPLWFESA-N 428.679 6.863 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408595726 MPRVZEQCVMKLSL-FOKLQQMPSA-N 447.741 6.269 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408893055 DXACTARJWHMKDG-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC 408899982 WRNSPZRJGLUCJQ-UHFFFAOYSA-N 441.955 5.347 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 409211432 NEEJACIIGLMHHN-MZJWZYIUSA-N 441.358 6.632 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2Cl)cc1Cl 409214850 ZIIAQRRWOYHODJ-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)c1 409342732 GGDIWCJKSUNIQC-PXLXIMEGSA-N 444.512 5.080 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2271825 PVWPLLUVQBTQJO-UHFFFAOYSA-N 428.601 5.995 30 40 IKEB CCOc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OCC)cc4)cc3)cc2)cc1 2854222 OFNDXGZORJDPCN-RWRHWQIFSA-N 448.566 7.652 30 40 IKEB Cc1ccc(C(=O)C2=C3NC(=O)c4c(-c5ccccc5)csc4N3Cc3ccccc32)cc1 3267988 VDFGSLCIWGCNIZ-UHFFFAOYSA-N 448.547 6.039 30 40 IKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-n1nc(-c2ccccc2)cc1-c1ccccc1 8952393 ZILPEANVOJDMRV-UHFFFAOYSA-N 436.330 6.782 30 40 IKEB CCCC1=NN(c2nc3ccccc3s2)C(=O)[C@H]1/C(C)=N/c1ccc(C(=O)OCC)cc1 9232989 FWMNUXWEMLYVRS-XAOCGEIJSA-N 448.548 5.385 30 40 IKEB CN(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1Cl 9671360 MLFUAZVAMCTZFI-OAQYLSRUSA-N 435.980 5.396 30 40 IKEB CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3cccc(Cl)c3)nn21 9731834 KVOXDXHSFITRLK-JOCHJYFZSA-N 448.954 5.655 30 40 IKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCc1ccccc1 12660257 ZISVYIIZULIHFK-MXECZNPBSA-N 449.635 6.454 30 40 IKEB biogenic C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 14088258 FWDHVXJHEUTLJM-UHFFFAOYSA-N 440.783 6.296 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/n2c(=S)n(/C=N/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 16545135 CBYKMAXZPOUOPT-MSKUYSOUSA-N 446.448 5.405 30 40 IKEB CCOC(=O)N1C=C[C@H]2C=C[C@@H]1[C@@]1(C)C(=O)C(C)=C(c3ccccc3)[C@]21c1ccccc1 45069561 ZLEIAUDTJAGXJQ-IJEQNIMCSA-N 425.528 5.528 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59301976 KBHFXRIFBFJHDK-LSHDLFTRSA-N 441.177 7.559 30 40 IKEB CCOC(=O)c1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 408996889 FJIHJGKGRAJRHR-YSMPRRRNSA-N 436.895 5.285 30 40 IKEB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1ccccc1C#N 409020055 LQSWOJJOBGNCKL-QPNANDPSSA-N 436.533 5.371 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(C)cc1 409098579 QSMKOMCXTCRHBN-IPBVOBEMSA-N 449.860 6.096 30 40 IKEB Cc1ccc(Sc2ccc(/C=N\c3cccc(Br)c3)cc2[N+](=O)[O-])cc1 409116362 IVSINWIFUARKOS-XKZIYDEJSA-N 427.323 6.568 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)c1 409173133 KPAGNRRDULCRQK-ZMOGYAJESA-N 441.556 5.819 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)S/C1=N/c1ccc(OC)cc1 409228823 FRIHRZQOMQGPEA-VBJFXANNSA-N 432.549 5.122 30 40 IKEB CCCN1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)C1=O 409242379 RMQSOQVNNPLJAM-OEAKJJBVSA-N 428.513 5.737 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 864454 XLTUYEOKLDGWRD-OXQOHEQNSA-N 446.330 5.059 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCCC3 2194021 BFLLQELHRUBNFY-UHFFFAOYSA-N 437.417 6.122 30 40 IKEB Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccccc2)cc1 2428657 MYPMKLZNDNABPC-NRFANRHFSA-N 436.515 5.267 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 2438140 QFATXRXRKQXJBL-UHFFFAOYSA-N 430.552 5.651 30 40 IKEB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1F)C1=C(N2)c2ccccc2C1=O 3257876 RTHZACLUPASDJR-JOCHJYFZSA-N 425.438 5.624 30 40 IKEB N#Cc1ccc(CSc2nnc(NC(=O)Cc3ccc(-c4ccccc4)cc3)s2)cc1 3355524 POZPYTLYIWRSLK-UHFFFAOYSA-N 442.569 5.550 30 40 IKEB O=c1oc2ccc(Br)cc2cc1-c1cnc(N/N=C/c2ccccc2)s1 12577064 YHIAYBPVLNTNHD-LSHDLFTRSA-N 426.295 5.125 30 40 IKEB COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1OC 12804275 JXMJTDSRDIOZLS-ZHACJKMWSA-N 436.533 5.358 30 40 IKEB O=C(/C=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(-n2ccnc2)cc1 13640483 ALFIDNJDZJZYFH-BQYQJAHWSA-N 442.368 5.497 30 40 IKEB C=CCn1c(COc2ccc(F)cc2)nnc1SCc1cc(-c2cccs2)on1 14069734 LWXQIFXASVFJQZ-UHFFFAOYSA-N 428.514 5.191 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc4ccccc4c3)c2C#N)C1 14271536 RTJHLBXKOFPWHS-GOSISDBHSA-N 447.629 6.051 30 40 IKEB Cc1c(/C=N/c2ccc(Cl)c(C(=O)OC(C)C)c2)c(O)n2c(nc3ccccc32)c1C#N 16249467 GEPNSGHKQYHWSZ-KKMKTNMSSA-N 446.894 5.342 30 40 IKEB Cc1cc(COc2ccc(Cl)cc2C)c(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)c1 23380997 NZFMVSZYIUDGEN-UHFFFAOYSA-N 445.994 6.629 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3ccc(F)c(F)c3)c3ccccc3S2(=O)=O)cc1 32984314 IUKQRVHDSGRLSV-UHFFFAOYSA-N 441.455 5.013 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOCC2)cc1 48262726 IESRTXRJDRIXBD-PKNBQFBNSA-N 438.321 5.442 30 40 IKEB CCCCCCCCCCCCCCCC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12 100023389 BBPGIOUAIMWZKI-UHFFFAOYSA-N 429.601 7.227 30 40 IKEB CCN1/C(=C2/S/C(=N\c3ccccc3)N(c3ccc(C)cc3)C2=O)Sc2ccccc21 100201965 KFFIOYGIJRAKFE-SLJQUXCSSA-N 443.597 6.564 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@@H]3c3cccs3)sc2c1 102803347 SMGNDBIWXRKMJC-GHNGSUTGSA-N 436.514 5.140 30 40 IKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 146072974 LAWTXQNBKGBRDH-WPWMEQJKSA-N 435.593 5.540 30 40 IKEB COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc(C)c([N+](=O)[O-])cc3C)o2)S1 408721706 XGOMGGPNFMUWNU-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB C[C@@H](NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 408816336 YHSFYSSKRDOSPR-JAYSCUBMSA-N 427.331 6.000 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1O 408909093 CAFBXKOTOAPLAK-UINIZAEWSA-N 444.556 5.556 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccccc1 408911248 MLIXTWCSRZJTRJ-NVZLDUMVSA-N 433.489 5.869 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(Sc2cccc3cccnc23)o1 408989581 IOIUVRLVXLPITM-UYRXBGFRSA-N 447.516 6.010 30 40 IKEB CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 409215532 AQYXYZZTONLSRS-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB CC1CCN(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)o2)CC1 409273824 LRCFZPXPZOIGNC-WPWMEQJKSA-N 447.604 6.459 30 40 IKEB C/C(C=Nn1c(-c2cc3cc(Cl)ccc3o2)nc2ccccc2c1=O)=C\c1ccco1 409296418 HXNFEURDAWKETL-JDSBJFIHSA-N 429.863 5.994 30 40 IKEB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 751970 YFZFDLMPFJTDOG-RUZDIDTESA-N 430.529 5.127 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 815916 JNAAZPVXVYVNER-SLIIYKDFSA-N 431.319 5.224 30 40 IKEB OC1(CC#CC[N+]2(Cc3ccccc3Cl)CCCCC2)c2ccccc2-c2ccccc21 2296415 ZKUVPSMPRCAVFB-UHFFFAOYSA-N 443.010 6.151 30 40 IKEB C[C@H](O/N=C/c1ccccc1OC(F)F)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3327464 XWEUAZVKUAQIIA-FZXGFWIVSA-N 437.657 5.626 30 40 IKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC1CCCCC1 4029060 UOIHMGVGVVIAEA-VUTHXJGOSA-N 441.656 6.586 30 40 IKEB biogenic C(=C\c1ccccc1)\C=N/c1ccc(CCc2ccc(/N=C\C=C/c3ccccc3)cc2)cc1 5124701 VYZDRRDDEMEWKP-HIYOQMGYSA-N 440.590 8.303 30 40 IKEB Clc1ccccc1CN/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 8811319 MGXKAMBHAAAPIU-ZMOGYAJESA-N 429.745 5.805 30 40 IKEB C=CCSc1nnc(N2C(=O)C[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 12402396 UFQDBJPXIVEBOS-CYBMUJFWSA-N 431.608 5.041 30 40 IKEB O=C(O)COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1 13942054 MRYAVTGIDHXNGI-PSYZWBJOSA-N 436.533 5.087 30 40 IKEB CCOc1ccccc1/C=N/C(/N=C/c1ccccc1OCC)c1ccccc1OCC 15079610 BBKUJNYJOGPTRZ-JUWMQZRYSA-N 430.548 6.120 30 40 IKEB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 32908457 HWNXSCQBEOVONJ-UHFFFAOYSA-N 439.540 5.631 30 40 IKEB O=C(O)c1cccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59249591 NKEAQRPIRPOQGN-UFFVCSGVSA-N 436.714 6.296 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)NC2=O)c(Br)cc1O 96803931 PIIJOFBVKLSILU-ZDLGFXPLSA-N 447.354 5.007 30 40 IKEB CCCCCCCCCCCCCCOc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 104134620 YQNXWVXCWPWDSJ-UHFFFAOYSA-N 443.653 8.826 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 118919130 UOCUEIOMIAYZNI-KHSKDSKMSA-N 428.613 5.468 30 40 IKEB Cc1cc(C)c(NC(=O)COc2ccccc2C=C2C(=O)c3ccccc3C2=O)c(C)c1 408574719 CDMZJAMARVLBOZ-UHFFFAOYSA-N 425.484 5.092 30 40 IKEB C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OC)c1OCc1ccc(C)cc1 408596709 TUMNLGJWOGQRSJ-STBIYBPSSA-N 426.516 5.734 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(C)cc4)N(C)C3=O)o2)cc1 408909328 CNAAEYSGNGZGKV-MDIFQPDJSA-N 432.501 5.275 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccc(Br)cc1 409085252 OAFRLKLVELNMOY-ODLFYWEKSA-N 442.309 5.081 30 40 IKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409086439 ZPMQTQXDALDHOL-YNCTYVJUSA-N 446.572 6.788 30 40 IKEB Cc1ccc(COc2ccccc2/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409096120 JIDMBAJWRJPXCW-LGJNPRDNSA-N 429.398 5.947 30 40 IKEB COc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccccc4Cl)NC3=O)c2C)cc1 409208093 AUHYKYCZMYKUHQ-FYJGNVAPSA-N 437.952 5.648 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 409218971 ZCZVTAVJFVPYIB-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3ccc(Br)c(C)c3)o2)c(Br)c1 409223289 YSWIMWSUWXUBMK-SSDVNMTOSA-N 433.143 6.839 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 409332510 PSTIHZKBQHIPRC-UHFFFAOYSA-N 434.952 5.669 30 40 IKEB Cc1cccc(COc2cccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2)c1 1531383568 LQXGUIFTMNWKFA-NDZAJKAJSA-N 445.522 5.833 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1F 1531385218 SBZYOGKHDPKYPN-UXHLAJHPSA-N 449.485 5.664 30 40 IKEB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)s1 2752310 XBCZYCUXFAHKBL-AWEZNQCLSA-N 443.597 6.582 30 40 IKEB Brc1cccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c1 3211265 HXEDMFBBAYGINC-CVKSISIWSA-N 443.300 7.268 30 40 IKEB Cc1cccc(Nc2nc(N/N=C/c3ccc(Cl)cc3)nc(N3CCC(C)CC3)n2)c1C 4044955 IJQHFJJIZKTLLF-CVKSISIWSA-N 449.990 5.568 30 40 IKEB Cn1cc(/C=C2/S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)c2ccccc21 8821713 NIXAJSMBDLWKEZ-CAOOACKPSA-N 435.858 5.742 30 40 IKEB N#Cc1ccc(-c2nc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccccc3)[nH]2)cc1 9354933 ULSOAIKMJVGHAH-UHFFFAOYSA-N 443.481 6.652 30 40 IKEB CCOC(=O)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2C[C@H]1C 12524552 RBZDMPNHKBUYND-SNILEUMVSA-N 425.838 5.099 30 40 IKEB CN1/C(=C/C2=C(O)/C(=C/C3=[N+](C)c4ccccc4C3(C)C)C2=O)C(C)(C)c2ccccc21 16927306 YOYCQJDHFJMODW-UHFFFAOYSA-O 425.552 5.325 30 40 IKEB Cc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 19647412 IKLBZVHMXYKIIN-ZBLYBZFDSA-N 448.526 5.795 30 40 IKEB CCc1ccccc1N/C=C1\C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O 20558820 IBPARMHKZPYYRG-LFVJCYFKSA-N 432.545 5.044 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1 32984431 XJBPCTMWOFJVFV-UHFFFAOYSA-N 441.911 5.746 30 40 IKEB C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccco1 33655116 DDXWKOFPDLGSSN-UHFFFAOYSA-N 428.602 5.310 30 40 IKEB CCOc1cc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)ccc1OC 59516392 LAVRRTWGZSMSSV-SRZZPIQSSA-N 432.343 5.426 30 40 IKEB CCCCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21 100070958 GVRVHDUHAVNFOW-UHFFFAOYSA-N 437.219 7.680 30 40 IKEB in-vitro C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc2ccccc12 100499547 ZNJYXOZMNQCFHW-SLJQUXCSSA-N 443.597 6.390 30 40 IKEB C=CC/N=C(\c1ccc(C)cc1)n1c(=S)nc(-c2ccc(C)cc2)n(CC=C)c1=S 100862437 HNNMJZBHAKLUEC-NJNXFGOHSA-N 432.618 6.094 30 40 IKEB S=C1/C(=N/c2ccccc2)N(c2ccccc2)/C(=N/c2ccccn2)N1c1ccccc1 104311643 NTFQVQVCZMCMMY-PBIXCBGVSA-N 433.540 6.154 30 40 IKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3I)c2C)cc1 408692270 IWTULQZKGQJISY-OUKQBFOZSA-N 441.312 5.903 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)cc1 408770749 BWMLMIIAHZRVGJ-MTDXEUNCSA-N 446.547 5.978 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)NC1CCCCC1 408806444 NDJQWLVIAJELHH-WKIKZPBSSA-N 438.877 5.937 30 40 IKEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1cccc(Cl)c1 408936446 GLCNFOKGDIWACL-VIZOYTHASA-N 436.689 5.006 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)c([N+](=O)[O-])c1 408940520 OCIUUFLGPJZAFI-KSEXSDGBSA-N 444.806 5.321 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N/N(c3ccccc3)c3ccccc3)c2)cc1C 409010456 FBFCKBNXQDDTMT-TWKHWXDSSA-N 449.554 6.493 30 40 IKEB C(=N/Nc1nc(-c2ccccc2)cs1)\c1cccc(OCc2cccc3ccccc23)c1 409176084 GWFYSOYMWDLBOS-OGLMXYFKSA-N 435.552 6.988 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 2296420 JTHWGRIUIOBJKG-UHFFFAOYSA-N 428.623 6.007 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc12 2349038 XAZRMXZBDHGZMH-UHFFFAOYSA-N 443.551 5.059 30 40 IKEB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 8832414 MQMICQYAOOFZOZ-PKNBQFBNSA-N 440.908 5.670 30 40 IKEB C[C@H](Sc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N)c1ccccc1 9161334 WVUHYZSQFIYXGI-AWEZNQCLSA-N 442.462 6.264 30 40 IKEB Cc1c(Cc2ccccc2Cl)c(NCCCN(C)C)n2c(nc3ccccc32)c1C#N 9210931 KBURIOQBGHRTGP-UHFFFAOYSA-N 431.971 5.275 30 40 IKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(C(C)(C)C)cc1 9497403 WXFODMADCUMPFR-UHFFFAOYSA-N 441.600 6.557 30 40 IKEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 13879732 JXSTXWQEPSITPV-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB Clc1ccc(/N=C/C=C(/Nc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)cc1 16401975 MEDBKPAFNMCXLE-KCWIKEJLSA-N 436.169 8.156 30 40 IKEB CC[C@H]1CN=C(Nc2ccc(C(=O)/C=C/c3cc(Br)ccc3F)cc2)S1 18065404 FBAMVIKJFDGUEB-HQWZXOHUSA-N 433.346 5.778 30 40 IKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc(Nc2cccc(OC)c2)c1=O 28527607 ZBSMYZJAXNNSJB-UHFFFAOYSA-N 436.581 5.166 30 40 IKEB C=CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 39556273 HMHHNXXHVZBQFC-UDWIEESQSA-N 440.330 5.384 30 40 IKEB CCN(CC)c1ccc(/C=C/C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 58268775 GTRFNHUQKVSITM-XDJHFCHBSA-N 434.583 7.261 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3cccc(Br)c3)sc2-c2ccccc2)cc1 59463810 XJFLKQLMVSZOOC-MFKUBSTISA-N 433.374 7.299 30 40 IKEB CCC(CC)(NCc1cn(CCC#N)nc1-c1ccc(OC)cc1)c1ccc(Cl)cc1 78823071 OKYLVHVVIJPULL-UHFFFAOYSA-N 436.987 5.931 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 97952673 PHBKZLOCETYLJM-UHFFFAOYSA-N 433.600 5.757 30 40 IKEB CCCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 97952976 MUUVYRSJUZVUTP-DEOSSOPVSA-N 445.651 7.396 30 40 IKEB CCCCCCCCCCCCCCCCCCn1c(CCCCC)nc2ccccc21 97985319 GJQTYMXZYRFNJT-UHFFFAOYSA-N 440.760 10.031 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cc(Cl)ccc1OC 102148825 RTLBKWYUAOTTRV-QUOYTPRUSA-N 445.997 5.733 30 40 IKEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccc(Cl)cc1Cl 408753444 PYXWAGLBMNTWBR-LHHJGKSTSA-N 428.684 5.447 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 408949553 BKEHCBAKSJOWMK-BUVRLJJBSA-N 445.588 6.001 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 409105183 HEVJQIBJTDXRKL-LDADJPATSA-N 430.323 5.250 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 409199103 BKYCMDNVDWCTMR-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Br)cc1 409203070 UNBLHDCFZJMKBX-DHRITJCHSA-N 444.756 6.749 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(OCC)c1OCC 409343113 DKODPHYGUWZFPZ-QNGOZBTKSA-N 439.602 5.927 30 40 IKEB CCCOc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409375552 MKAWHJLWUGHIJH-STBIYBPSSA-N 436.467 7.364 30 40 IKEB Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1 1446276 OEYYIIQKGKVDPR-ILBGXUMGSA-N 441.512 5.694 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2cc(OC)ccc21 9421960 LQDBMUVTXLKXQX-UVHMKAGCSA-N 439.511 6.173 30 40 IKEB COc1ccc(C2=NN([C@@H](C#N)c3ccc(Br)cc3)[C@H](c3ccccc3)C2)cc1 9933306 NJYDEZOSBWRDCZ-ZEQRLZLVSA-N 446.348 5.874 30 40 IKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 10324103 AMXHCELLPXOGKH-UHFFFAOYSA-N 439.393 5.154 30 40 IKEB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 13112948 KWOGSQGJSISVJT-UHFFFAOYSA-N 429.570 5.732 30 40 IKEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccc(Cl)c(Cl)c1 17249234 JHMQSHFRFOKVIV-UHFFFAOYSA-N 441.165 5.885 30 40 IKEB CCc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3ccc(F)cc3S2(=O)=O)cc1 32950868 GMRXDLCFEYFLMK-UHFFFAOYSA-N 425.456 5.177 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 59484239 AEWCZIQRHXWGLF-DHRITJCHSA-N 440.355 6.936 30 40 IKEB Cc1ccc(C23C[C@H]4C[C@@H](CC(C/N=C/c5cc(Br)ccc5O)(C4)C2)C3)cc1 100328475 GCVZMEBNERJKMV-YZVAGNCASA-N 438.409 6.420 30 40 IKEB Cc1ccc(Cl)cc1NC1=C/C(=N/S(=O)(=O)c2cccs2)c2ccccc2C1=O 100822326 BGOWMRGDUSUEFJ-MOHJPFBDSA-N 442.949 5.080 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1 102728712 YQYVRQNEOWQWCO-AYWGPLOBSA-N 442.471 5.479 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCCC2)CC1 257320802 VYSSOCKNBSROJZ-UHFFFAOYSA-N 448.582 5.136 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)nc1 408748469 ARPBPLVRHOFXTC-MRUKODCESA-N 440.290 5.746 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OCC)c(OCC)cc3Cl)S2)cc1 408950495 FOGNENBZNNBDIB-UDWIEESQSA-N 446.956 5.428 30 40 IKEB COc1ccc(-c2oc(/N=C/c3cc(C)ccc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 409223730 IINDPWPBKCVKBJ-MUFRIFMGSA-N 438.483 6.267 30 40 IKEB CC(C)[N+](C)(CC#C[C@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 1804884 XMLJZMMZIZSGTD-DUHDXAHJSA-N 432.628 6.143 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 2183461 YAMQBWHQAPQMQQ-SFHVURJKSA-N 438.662 6.326 30 40 IKEB C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3cccc4ccccc34)nc21 2779943 AFLOTTAZXLHWBC-UHFFFAOYSA-N 425.517 5.050 30 40 IKEB CC(C)N=C1/C(=C/c2ccc(C(C)(C)C)cc2)COC/C1=C/c1ccc(C(C)(C)C)cc1 8295276 RQWWQPUHZZORSE-AMSRHJAZSA-N 429.648 7.628 30 40 IKEB CC(=O)Nc1ccc(N2C(=S)N/C(=N\c3ccc(Cl)cc3)C23CCCCC3)cc1 8695571 SIVPLDBDHPGEHH-UHFFFAOYSA-N 426.973 5.426 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 9242713 ZBQOOGVMABWGQS-OSPHWJPCSA-N 426.907 5.500 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c2cc(OC)ccc21 9422681 ZKVXYXAKWUZXCJ-FOKLQQMPSA-N 429.428 5.098 30 40 IKEB Cc1[nH]c2ccccc2c1C(=O)c1oc2ccccc2c1-c1cc(C#N)c(=O)n(C2CC2)c1 9494249 VQKDXVAAOSTPRY-UHFFFAOYSA-N 433.467 5.489 30 40 IKEB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N/N=C/c2ccc(Cl)cc2Cl)n1 13810529 ZAPIHSXMNPLXBY-YCPBAFNGSA-N 445.659 6.569 30 40 IKEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 13940973 UKHMSCAXIQKJQL-MYYYXRDXSA-N 446.532 5.086 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(Cl)cc1 14069628 LOORGJAMCFBQNJ-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 14087942 NZHLLODOSFMAAN-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB COc1c(Br)cc(Cl)cc1/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O 15015945 JNNFIDMOJUQCPP-AUWJEWJLSA-N 441.709 5.142 30 40 IKEB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2 17180850 OWJNNMGFSZEVIL-APTRMMRNSA-N 444.039 5.826 30 40 IKEB Cc1cccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1C 21722674 YVLTZMSDPDMRNI-MHZLTWQESA-N 441.531 5.515 30 40 IKEB COc1cccc(/C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccc(Cl)cc1Cl 33733128 QEIDQYPNOXDRFG-GATIEOLUSA-N 442.302 5.501 30 40 IKEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](c2ccccc2)C3)[C@H](C(=O)O)C1 35897871 BDGUZVIBYQBJJB-MISYRCLQSA-N 434.561 5.278 30 40 IKEB COc1ccc(/C(O)=C2\Oc3ccccc3\C2=N/C(=O)COc2c(C)cccc2C)cc1 102861993 WPFSWIYUIWYJLL-FBQPMGKKSA-N 429.472 5.026 30 40 IKEB CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)S/C1=N/c1cccc(C)c1 105756985 ZZUAWELTWPZCLM-RSTPCFTMSA-N 445.972 5.027 30 40 IKEB CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 118917793 AHBKIEXBQNRDNL-UPHGVFKWSA-N 448.603 5.744 30 40 IKEB Cc1c(/C=N/Nc2nc3ccccc3n2C)c2ccccc2n1Cc1ccccc1Cl 408659687 PAMDGDFKJSTHJQ-JFLMPSFJSA-N 427.939 5.984 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(I)cc3C)c2C)c1 408752916 DJMBMZGMSLEZFI-QRVIBDJDSA-N 428.317 6.066 30 40 IKEB C[C@H](NC(=O)COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 408819078 YBSXWIMOHKIKRP-NXZPZOCRSA-N 426.438 5.712 30 40 IKEB CC(C)N1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N\c1ccccc1 408906661 CXPGEHXROPZZHS-DOGKOTLKSA-N 446.547 6.417 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C(C)C)cc1 408913257 PQMQGIJFIKYMAO-FUQOYWQNSA-N 442.584 6.586 30 40 IKEB CCOc1cc(Cl)c(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC 409066762 PLIHUZVVFHTSHM-AUEPDCJTSA-N 431.798 5.510 30 40 IKEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccccc2)cc1 409093909 BONKPSLGYJNFMR-JVWAILMASA-N 441.491 5.422 30 40 IKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1F 409209938 IOFPAXPKVGUDRP-NDZAJKAJSA-N 441.502 7.346 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)[nH]c2ccccc12 1531343006 ZVOASXQEVCZZEI-ZGUVFNMESA-N 437.341 5.344 30 40 IKEB COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(C)cc3)nc3c2CCC3)cc1 1017314 IICDMQRKYHGZPW-UHFFFAOYSA-N 429.545 5.157 30 40 IKEB CCCCCCCCCn1c(O)c(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21 2291039 NNWVHLCMCRBGMT-UHFFFAOYSA-N 434.580 6.327 30 40 IKEB O=[N+]([O-])C(=C\Nc1ccccc1Br)/C=N/c1ccccc1Br 2326574 PSBJOUHXDMNKSU-KFPJKESOSA-N 425.080 5.144 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(C)c1 2447668 LBXSJSCFRBUDBZ-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB CC(=O)Oc1c(Br)cc(/C=N/c2cccc3ccccc23)cc1Br 3079998 JCKZSWACUXIVRU-SSDVNMTOSA-N 447.126 6.041 30 40 IKEB O=C(/C=C/c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2)C(F)(F)F 3183408 RHFHGBLEWWKYRX-CCEZHUSRSA-N 434.461 6.556 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccccc1C#N 4195832 DYPXCFODRQPUQN-CVKSISIWSA-N 428.517 5.592 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 8821134 NHFCOYDGRJCCOD-NVNXTCNLSA-N 440.830 5.037 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 8826551 RBLYLLGALKWHHU-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB O=C(O)c1ccc(N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 9013173 NDHVTIJUOYHTLK-WYMPLXKRSA-N 429.259 5.357 30 40 IKEB CN(/N=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 9347656 XUAWUCOMIRHWER-MFKUBSTISA-N 436.005 7.085 30 40 IKEB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 13039349 AEIRAFWOWIMNBA-GFCCVEGCSA-N 438.578 5.289 30 40 IKEB C=CCOc1ccc([C@@H]2C3=C(CCCC3=O)Oc3c2c(C)nn3Cc2ccccc2)cc1 18196904 VVZJJOOVIGABQJ-VWLOTQADSA-N 426.516 5.336 30 40 IKEB Cc1ccc(/N=C2/S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2CCc2ccccc2)cc1 32114559 PURNNGBZHLCNJK-LOQZQNIZSA-N 441.600 5.908 30 40 IKEB CC(C)N(CCC#N)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S 62580702 AVPZGJAMKXABCB-UHFFFAOYSA-N 425.989 5.364 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C 102401955 CAGWHKOMOXFQJN-WOOAAIBNSA-N 438.574 5.571 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C 102799351 OGZVJXQLZSJEIL-GHNGSUTGSA-N 442.899 5.179 30 40 IKEB C=CCN(c1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 260561250 AYVJRINFZPOBAN-OAQYLSRUSA-N 448.588 5.176 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408672497 NIEAWFKIXQABRJ-LDTXMFMOSA-N 438.612 6.082 30 40 IKEB C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)OCC)CCCC2 408814664 GHWJMSXBFJYYPQ-YDZHTSKRSA-N 446.366 5.329 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)c1 408851443 KAJQHROXTHIYJK-BOPFTXTBSA-N 446.370 5.151 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)c(Cl)c1 409318066 URQZAIMBQOAKSW-LBPRGKRZSA-N 448.748 5.217 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(C)C)O[C@@H]1c1cc(CC(=O)O)ccc1OC 585263904 DQQWVYDUBZFUEZ-SYUUKGODSA-N 442.983 6.438 30 40 IKEB COc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)c1OC(C)C 1531382875 QULISXJXZQBKRD-JFLMPSFJSA-N 447.922 5.395 30 40 IKEB CC[C@@H](C)Oc1cc(N(C)C)ccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385106 SVIBLUKUGAXGPR-AZFHEMCLSA-N 440.547 5.189 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1c(C)cccc1C 992347 TVEUZCVLQJDPAK-VGTHCDORSA-N 435.593 5.573 30 40 IKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)c1 1840479 SQCRRVCVKFHNGC-HNNXBMFYSA-N 425.623 5.514 30 40 IKEB C=CCSc1nnc2n(Cc3ccccc3)c(=O)c3c(n12)-c1ccccc1C[C@@]3(C)CC 2375515 QYMZBLJVEQHERN-AREMUKBSSA-N 442.588 5.108 30 40 IKEB C[C@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1)N1CCCCC1 9125600 DRMHMHGWBDFNDR-QGZVFWFLSA-N 438.000 5.632 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 9191633 QZJAJWSFAMOGSR-DNOBIOAJSA-N 442.515 5.599 30 40 IKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 9420258 JWJKFFLWSJNNSQ-JAIQZWGSSA-N 448.830 5.002 30 40 IKEB CCOc1ccc(NC(=O)c2c(/N=C/c3ccc(OC)cc3)sc3c2CC[C@@H](C)C3)cc1 9907657 CYZPROLUPJYXBY-AKBIMGJMSA-N 448.588 6.283 30 40 IKEB C=CCn1c(SCC(=O)NC[C@@H](CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 10240199 MZLNVSXRVNLUKL-QGZVFWFLSA-N 441.000 5.187 30 40 IKEB Cc1ccc(C(=O)Nc2ccccc2Nc2cc(-c3ccccc3)nn2CCC#N)cc1C 12651185 ITEKVDMCTALISN-UHFFFAOYSA-N 435.531 6.077 30 40 IKEB CC[C@@H](Sc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccc(F)cc1 13003444 AGVIQJBWPPPGDB-OAQYLSRUSA-N 448.523 5.163 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)n(C2CCCCC2)c1C 13116884 CNOOHCKNLJLFTL-UHFFFAOYSA-N 438.601 5.016 30 40 IKEB O=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 14361479 SLURNRRXOQAJAI-KNTRCKAVSA-N 443.468 8.071 30 40 IKEB Cc1nn(-c2ccccc2)c(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1C#N 19010324 VRGQMSAEMQXWAQ-UHFFFAOYSA-N 448.861 5.060 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)OC)s/c1=N\c1cccc(Cl)c1Cl 27024725 JNKJPJGCLNNFJX-NMWGTECJSA-N 434.348 6.120 30 40 IKEB Cc1ccc(SCC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 30823025 SXGNEADKCWLFAE-AREMUKBSSA-N 444.556 5.887 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 32916755 UXLQBWYTNXBIJY-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB CCCCCCCc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 97994902 DTFHOGGFOHRBSO-QFIPXVFZSA-N 448.563 5.227 30 40 IKEB Oc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 100456573 PROUWCLBNVMEDQ-AJBULDERSA-N 448.953 7.921 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/c1ccc(Cl)cc1 100499525 BAANWNOMPLSDIT-WDIQAHRZSA-N 445.997 5.733 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 102535852 LHBNCNIDBBNVIY-JBCNATCCSA-N 448.862 5.183 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@H]2CC=CCC2)CC1 257221357 DOSCAXOGRCVEFS-VWLOTQADSA-N 442.603 5.163 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)c1 408589684 FKVSMYYZQPDNFZ-ZMOGYAJESA-N 430.420 5.057 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)ccc1Br 408595392 WMPUHAJYVAERCN-FSJBWODESA-N 442.313 5.624 30 40 IKEB Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1ccc(I)cc1 408767847 PYBYOGMIBQHXLZ-XKZIYDEJSA-N 430.289 5.249 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 408819812 RYTHKDIJGOMQJT-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 408918345 JKZJXQVRJJFXFG-JFLMPSFJSA-N 427.847 6.797 30 40 IKEB CC/N=C1/S/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)C(=O)N1CC 408929913 POOOSRNTCAHMRL-PHSRYYMBSA-N 446.572 5.740 30 40 IKEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1C#N 409008607 YOVGXNDQVPEHHV-KBKYJPHKSA-N 442.350 5.568 30 40 IKEB CC(C)Oc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409089994 NYWQDDRDTKXWNY-MQRLXVCBSA-N 430.617 7.462 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 409091321 PKWUTYZTIMEBKT-SRZZPIQSSA-N 442.771 5.608 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O 409105215 JWUJSRDYJXDCOO-LFVJCYFKSA-N 445.540 6.040 30 40 IKEB O=S(=O)(Oc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl)c1ccc(Cl)cc1 409211681 MQKOUPPIUOTJHZ-FSJBWODESA-N 440.735 6.165 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C/c1cn(CCOc2ccccc2)c2ccccc12 409218616 WGZNCKQLRIJKID-JJIBRWJFSA-N 439.540 5.612 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)S/C1=N/c1ccc(OC)cc1 409241675 LLAJHNMCQOKONO-UMUYUUQJSA-N 432.549 5.122 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3ccc(Sc4ccc(C)cc4)cc3)cc2)cc1 409244970 LLRJQGPMKQFHFX-TURZUDJPSA-N 425.553 7.698 30 40 IKEB C/C=C/[C@@H]1C(C(=O)c2c(O)ncc(-c3ccc(O)cc3)c2O)=CC(C)=C2CC[C@@H](C)C[C@H]21 514287866 FCQPLAILVSLWDT-SQRFFALSSA-N 431.532 5.933 30 40 IKEB biogenic,in-vitro COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 681883 FZOQITOWFUELIN-KPURRNSFSA-N 438.571 6.798 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)OCc1ccccc1 2028176 IDQORKWCGQHRQS-UHFFFAOYSA-N 436.536 6.123 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O 8935278 KCEXIVWNDDRQJQ-AFUMVMLFSA-N 446.463 5.324 30 40 IKEB CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccccc2)cc1 9546507 ACPGPSJEZKUOPU-DFHRPNOPSA-N 433.555 6.575 30 40 IKEB C/C(=N\Nc1ncc(-c2cc3ccccc3oc2=O)s1)c1ccc(Br)cc1 13897737 BMVQXHUVNNIEMB-FSJBWODESA-N 440.322 5.515 30 40 IKEB Cc1c(OCc2ccccc2Cl)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182540 HXVWUDLZLWNPCN-CFRMEGHHSA-N 429.903 6.335 30 40 IKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1 59194455 AYDOEDYCJWLNIF-WGOQTCKBSA-N 429.545 6.259 30 40 IKEB COc1ccc(-c2nc3cc(/N=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 103616472 XQHBVMCHFFVEAB-CVKSISIWSA-N 439.427 6.422 30 40 IKEB CCCCCCCCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 104129052 ALXZRDVGMQRJMC-UHFFFAOYSA-N 445.625 6.118 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 408907103 LWWZOPDRFZPECR-SOISBHENSA-N 440.568 6.617 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1CC 408910963 IFBKWHHLJCNTJO-GEZLPURSSA-N 436.580 7.179 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OC(C)C)c(Br)c2)C(=O)N1C(C)C 409201233 KSHAVGGRQKYRLA-CTUJGTAOSA-N 425.392 5.325 30 40 IKEB Cc1cccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c1C 409215763 FBTOOGDFKYJEEI-WKULSOCRSA-N 434.366 8.093 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)S/C1=N/c1ccc(F)cc1 409235863 CSLBDVPKCSZSAL-XVUPJRCWSA-N 437.515 5.996 30 40 IKEB CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C#N)o3)SC2=S)cc1 409329903 IOVMMYFWQXAOCV-FYJGNVAPSA-N 432.526 5.623 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1779968 PZUSPQBDJAMQJW-UHFFFAOYSA-N 442.628 6.455 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)c1 2305819 LTXNXMNFENGWCH-XKZIYDEJSA-N 435.980 6.256 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)c3ccccc3C2=O)cc1OC 3256466 UHYKNEBXZYGBSZ-UHFFFAOYSA-N 436.467 5.019 30 40 IKEB CCOC(=O)[C@@H](CC)Sc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N 6134578 JJVQOPITPCPTBY-HSZRJFAPSA-N 432.545 5.730 30 40 IKEB O=C(Nc1cnc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 8427484 CDQVRAGVPQHMQF-UHFFFAOYSA-N 440.212 5.277 30 40 IKEB C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccoc1C 8935786 RBQMLVGRQUTPSZ-UHFFFAOYSA-N 427.555 5.307 30 40 IKEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2cc(Cl)ccc2o1 9306097 ULIVRNIYKZZGTF-UHFFFAOYSA-N 430.961 5.072 30 40 IKEB O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccccc1)c1cccc([N+](=O)[O-])c1 9441306 PVWFMXQJMYHOAI-UHFFFAOYSA-O 428.493 5.086 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)c1C 12542091 AQQAZXFQQYWAEM-UHFFFAOYSA-N 429.589 5.858 30 40 IKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)Nc1ccccc1S2 12572796 VKCNGOXURGZGFD-KKMKTNMSSA-N 433.886 7.403 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 13567795 IJWHQPUTPTUBHP-KRWDZBQOSA-N 439.939 5.521 30 40 IKEB C=CCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)N(C(C)=O)c1ccccc1-2 15016048 PMQUCLBJRMCWRZ-FQEVSTJZSA-N 442.903 5.053 30 40 IKEB Cc1cc(Cl)c(S(=O)(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c(Cl)c1 33352643 TZWGFLJJIXSACP-CFRMEGHHSA-N 449.359 5.193 30 40 IKEB CC(C)c1ccc(OCc2ccc(/C=C/C(=O)c3ccc(Cc4ccccc4)s3)o2)cc1 36611175 KKQTWSYDITWKDE-JQIJEIRASA-N 442.580 7.530 30 40 IKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 59224280 SSXQREPWLZFKFT-UCQKPKSFSA-N 428.944 6.846 30 40 IKEB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 97983966 MGSIGEHLSLXRAT-AWEZNQCLSA-N 431.254 5.830 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H]1OC(O)=C(O)C1=O 100028653 NRHBEGWPKVFGRH-XXBNENTESA-N 442.593 5.405 30 40 IKEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(OCc3ccccc3Cl)cc2)c1C 108990486 YLAHXGDPASEJAV-VULFUBBASA-N 441.000 5.144 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C#Cc2ccccc2)C1 118915128 AXNNSHMUJUSTKY-XFVRFSQZSA-N 434.620 5.744 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)(C)C)cc1 170414893 AOGCZIZFXAISFD-OAQYLSRUSA-N 441.593 5.439 30 40 IKEB Cc1cc(/C=N\c2cccc(I)c2)c(C)n1-c1cccc(Cl)c1 408753524 NDQREHGWRUQXDV-UUYOSTAYSA-N 434.708 6.103 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1OCC 408914078 SKLSCNLPJGZRAB-OBUXZSPNSA-N 438.593 6.060 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC(C)C 409098610 QUZMDLXNPVQLAN-NUGSKGIGSA-N 431.798 5.509 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)c(Cl)c2)S/C1=N/c1ccc(F)cc1 409239430 MSDPGLCGJOMWNI-ZXOKNOEDSA-N 439.943 6.202 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(Sc3ccccc3)cc2)S1 409243179 ZOHCBTWPPFDJQU-KGENOOAVSA-N 436.989 6.691 30 40 IKEB Cc1ccnc(Sc2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)n1 409274569 PRXGPZLXSBOTIU-PBEVGHANSA-N 436.606 6.364 30 40 IKEB C=CCc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(OC)c1OC 409298128 NOBGGYJHETWCFQ-UHFFFAOYSA-N 431.536 5.072 30 40 IKEB C=C(C)[C@H]1C[C@H](c2cccc(C)c2)[C@H](C)O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)O 2037875000 HNKBECPVTRZPAC-HZNUMKHLSA-N 432.919 6.077 30 40 IKEB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1 3290855 KDPQQYZPAZNJML-MRXNPFEDSA-N 447.560 5.114 30 40 IKEB O=C(Nc1ccccc1Cl)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8857168 BOZHKOACNZJEFC-UAHGDZPKSA-N 432.820 5.419 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 9067571 GGXZFQFEPIKPTM-PIIWDFAUSA-N 440.518 6.136 30 40 IKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 9601528 OHUXDFROVCRHAM-STZFKDTASA-N 433.891 5.662 30 40 IKEB N#CCCn1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c2ccccc21 9672548 MATDPNLJRZGZBN-UHFFFAOYSA-N 433.562 5.185 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN=C1c2ccccc2-c2ccccc21 12601152 FPOGTZVZNXREAT-UHFFFAOYSA-N 428.326 5.367 30 40 IKEB C=C(C)CSc1nnc(SCc2csc(N(C(C)=O)c3ccccc3)n2)s1 13008922 JTMRUVYKWPYMIL-UHFFFAOYSA-N 434.637 5.640 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Cl)cc1 13841985 BOFADEMTAMVRSI-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB COc1ccc(OC)c(-c2cs/c(=N\c3ccc(F)cc3F)n2/N=C/c2ccco2)c1 15910462 RKJOQONABXHHDM-DMVPFBPMSA-N 441.459 5.220 30 40 IKEB CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 22001437 ZXQYGBMAQZUVMI-KNLKZWPMSA-N 449.856 6.544 30 40 IKEB in-vitro CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 35045103 NUQWAZNEIRYHJJ-BRJLIKDPSA-N 432.376 5.544 30 40 IKEB O=C1/C(=N\c2cccc(Cl)c2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 57264244 ZZPGKIUZHMCSCO-WCTVFOPTSA-N 443.978 5.720 30 40 IKEB COc1cc(/C=N/c2cccc(Br)c2)ccc1OCc1cccc(C(=O)O)c1 59249830 LQYDYIGSRBILRW-ZMOGYAJESA-N 440.293 5.486 30 40 IKEB C=CCn1c(S[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)nnc1-c1ccco1 79024316 OEMJGDSLVVRWDI-HXUWFJFHSA-N 441.516 5.656 30 40 IKEB CCCCCCCCCCCCCCCCCc1cc(=O)oc2c(F)c(O)c(F)cc12 95696906 NPAXHBPKJZIWIO-UHFFFAOYSA-N 436.583 8.191 30 40 IKEB CCCCCCCCCCCCCCCCNC[C@@H](CC)Oc1ccccc1[C@H](C)CC 100023710 CLIFPJYOATWUDZ-VSGBNLITSA-N 445.776 9.428 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 102709957 CIASECJJAFKZNO-JBCNATCCSA-N 436.895 5.386 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC(=O)[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 118927606 VOPZSPZAIPUPAF-KKOKDFSDSA-N 444.637 5.681 30 40 IKEB COc1ccc2ccccc2c1/C=C1/SC(=Nc2cccc(Br)c2)NC1=O 408741679 NDCHBGLZDAHRRQ-XDHOZWIPSA-N 439.334 5.503 30 40 IKEB Cc1cc(N=C2NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc(C)c1Br 408766627 VZKVEOSKLDDTMV-NVNXTCNLSA-N 439.737 5.750 30 40 IKEB Oc1cc(Cl)ccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408849088 UMDNDFQXEHVVJO-NKVSQWTQSA-N 443.149 6.956 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OC)c3ccccc23)C1=O 409003892 VTHWSJLVRZRVJI-QNGOZBTKSA-N 431.513 5.392 30 40 IKEB CC(C)CSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409046326 JYONCTABLYSLRM-WMDMUMDLSA-N 426.401 6.302 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)nc1 409098562 QKGBSPKXKDUESC-YPXUMCKCSA-N 440.252 6.432 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409126122 GXILIXSNLGPWBM-HKOYGPOVSA-N 427.525 5.521 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 409303365 ILRVQSQGTHPVPO-UHFFFAOYSA-N 442.475 5.495 30 40 IKEB Cc1nc2sc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(N)c2c(-c2cccs2)c1C#N 663265 QEOAAIVJKSHDHS-UHFFFAOYSA-N 446.601 6.337 30 40 IKEB COc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl 3357464 SWXNINOWKRVFCJ-CQSZACIVSA-N 426.973 5.898 30 40 IKEB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 6245226 CDNPMRKMPGZIGC-FQEVSTJZSA-N 449.579 6.715 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 8816877 KRKPXPKHYCRIDG-QHCPKHFHSA-N 426.516 5.470 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccc(F)cc1 9043059 OKTCCZOTRGHVAI-FQEVSTJZSA-N 448.450 5.357 30 40 IKEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 9380692 DQABYKGBWCPQHX-LJQANCHMSA-N 428.326 5.136 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@H]3c2ccc(Cl)cc2)cc1 10035301 XUAGXEOBLFQHEV-QYBDOPJKSA-N 447.987 7.008 30 40 IKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1 13881567 KZIINDMBOKQGRM-UNOMPAQXSA-N 446.557 5.816 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 14126770 TXUXPHRWNKYFEC-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 16736344 KXLSWFREAWKRQB-DEOSSOPVSA-N 438.483 5.119 30 40 IKEB CCC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccccc1 20436136 CVNSDCUVIPKMIJ-UHFFFAOYSA-N 432.408 5.817 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cccc(F)c1 20503320 YQQHZCIANJHEGK-RUZDIDTESA-N 431.467 5.038 30 40 IKEB CSc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c1 32984233 GNIZRTIJGCUEOU-UHFFFAOYSA-N 441.961 5.712 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3cc(F)ccc3S2(=O)=O)c(C)c1 32984430 FEVXEROXWAKSRC-UHFFFAOYSA-N 425.456 5.231 30 40 IKEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(Br)cc1 35647593 OTQCFRUDMPJSCN-VGOFMYFVSA-N 428.138 5.648 30 40 IKEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 104101301 RMIMPNSDTLFUQX-JBCNATCCSA-N 437.854 5.114 30 40 IKEB Cc1sc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c(C#N)c1C 144402709 WXNBPFAOQWOMKH-JAIQZWGSSA-N 433.558 5.885 30 40 IKEB COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c(OC)c1 408727629 VBARRSWPOSHLPQ-PNTLFUMMSA-N 444.556 5.377 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 408759651 ISYLPAHGMAYUBS-IWIPYMOSSA-N 439.540 5.591 30 40 IKEB Cc1c(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc2n1C 408852906 OICLOAQIMOWTNU-FUQOYWQNSA-N 437.568 6.291 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 408924744 OCCARRVMMKGRHN-FSJBWODESA-N 436.364 5.022 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c([N+](=O)[O-])c1 408935225 CHPDKGPVHNNIDG-KSEXSDGBSA-N 444.806 5.321 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC 408944766 VASXXQAHMWZQSS-JDVLXGQCSA-N 444.962 6.934 30 40 IKEB C=CCc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(OCC)c1OCC 408965656 WXPLVGUUMLGBKO-RCCKNPSSSA-N 438.549 5.113 30 40 IKEB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(C)cc2)nnc1-c1ccco1 409188627 IHCNMNPZOYTWBE-OEAKJJBVSA-N 433.493 5.676 30 40 IKEB CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1Br 409210630 KKVFOPYPBYGTGJ-AWQFTUOYSA-N 431.555 6.323 30 40 IKEB CCc1nn(-c2cc(Oc3ccc(Cl)cc3C)nc(-c3ccccc3)n2)c(N)c1C#N 644452 BUXWVXDQDRUQDO-UHFFFAOYSA-N 430.899 5.100 30 40 IKEB COC1=C(C(C2=C(OC)CC(C)(C)CC2=O)c2ccc3c(c2)OCO3)C(=O)CC(C)(C)C1 1585706 IHYGPCJSHAOBRX-UHFFFAOYSA-N 440.536 5.078 30 40 IKEB CCOC(=O)c1c(/N=C/c2ccccc2O)sc(C)c1-c1ccc2cc(OC)ccc2c1 8386538 FEHPCASFCOIWHD-JFLMPSFJSA-N 445.540 6.518 30 40 IKEB COc1cccc(CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)c1 8451021 ADQKWBBPUSXLGT-UHFFFAOYSA-N 432.545 6.789 30 40 IKEB C=CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(CCC=C(C)C)C[C@@H]1C)Nc1ccccc1-2 8452654 VFNQPQLDBNDLTA-MFSJNOQSSA-N 448.636 6.666 30 40 IKEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccccc3C)ccc2C1=O 8917918 OMJUPSSJNPSREE-ROTLSHHCSA-N 432.472 5.216 30 40 IKEB biogenic C=CCN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C 8934548 FWFBMORQGDLJPJ-GOSISDBHSA-N 449.338 5.449 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C 9482475 YBSFSPPJDDCCAC-RUZDIDTESA-N 434.584 5.452 30 40 IKEB O=C1/C(=C/c2ccccc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 13653673 RXODHIGWJAQSBO-ITYLOYPMSA-N 433.463 6.640 30 40 IKEB CCOc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)cc1 17099621 ZMJPANBRTQPAAO-HRFSGMKKSA-N 435.527 5.851 30 40 IKEB O=C1/C(=N/c2ccc3ccccc3c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1 20064288 HCPLFFKKJFDTIF-SJCQXOIGSA-N 446.554 5.087 30 40 IKEB CCCCCNc1nc(NCc2ccccc2)c2c(c1C#N)CCN(Cc1ccccc1)C2 20764016 NOLJLYNFHBFATP-UHFFFAOYSA-N 439.607 5.726 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2C)cc1 33772672 AZUJGRDAPIGVRQ-RDRPBHBLSA-N 432.527 5.662 30 40 IKEB CC/N=C1\S/C(=C\c2c(OCc3cccc(C)c3)ccc3ccccc23)C(=O)N1CC 59104659 PJYUYHKWGJNTLN-LMTJQJACSA-N 430.573 6.039 30 40 IKEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 102368965 UJHPSZJFOCZCPG-MOBKVPTQSA-N 448.906 5.149 30 40 IKEB S=C(N/N=C\c1ccc2ccc3cccc4ccc1c2c34)NC12CC3CC(CC(C3)C1)C2 104103353 UREXYVWUIZJQRI-MWLSYYOVSA-N 437.612 6.351 30 40 IKEB CC1(C)OB([C@@H]2C=CC=C[C@@]2(/C=C/c2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 220012085 JIVNRTMPQKZINX-ZKKZRPEASA-N 434.194 6.121 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2c(C)cccc2CC)cc1)S(=O)(=O)c1ccccc1 224472225 NBXXLHBJPHLMEL-UHFFFAOYSA-N 448.588 5.187 30 40 IKEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224624267 FNYAKBMWAHISBW-UHFFFAOYSA-N 436.744 5.045 30 40 IKEB C=CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(C)c1 408595289 LXBVCTGHVJNTPH-UHFFFAOYSA-N 444.560 5.236 30 40 IKEB CCOC(=O)c1cc(-c2ccc(/C=N/Nc3nc4ccccc4n3CC)o2)ccc1Cl 408692750 UINDHJUOTHSEAV-AFUMVMLFSA-N 436.899 5.592 30 40 IKEB N#Cc1ccccc1COc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Cl 408749571 HQKOHTCIIUJSRI-MRUKODCESA-N 442.262 5.193 30 40 IKEB COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(Cl)c1O 408803141 LQJZTJBZWHJNOY-MXAYSNPKSA-N 447.000 5.808 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(Br)cc1O[C@H](C)CC 408914251 XMOKSIADRXLTAG-MUBJSKCLSA-N 436.306 5.379 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3ccc4c(c3)OCO4)S/C2=N/c2ccccc2)cc1 408916268 ARXOGJCAQYRVAA-JWLCOBFGSA-N 444.512 5.228 30 40 IKEB O=C1/C(=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)Sc2ccccc21 408991122 MVPNGRUVXUAMLF-NDENLUEZSA-N 448.550 6.685 30 40 IKEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 409101608 PTVIQDHDOQJFFQ-JVWAILMASA-N 442.475 5.567 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OCC)cc1 409199365 CMRPVJKPHPPWGX-CIAFOILYSA-N 441.163 6.150 30 40 IKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 409202244 QRQSWNCNGGJZHH-WNIMSWJZSA-N 437.653 6.481 30 40 IKEB CCN1C(=O)/C(=C/c2ccccc2Sc2ccccc2)S/C1=N/c1ccc(OC)cc1 409249777 VNYMKHWZYWAYKQ-CGINZGNNSA-N 446.597 6.470 30 40 IKEB N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1 585295083 ZKAMLLNXPPJZCI-XMMPIXPASA-N 440.551 5.145 30 40 IKEB CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Br)cc2)c1C#N 874820 HUXJCJGYPXSVPW-UHFFFAOYSA-N 438.350 5.665 30 40 IKEB COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 1409137 JQTIPGOKXZTPEI-DWXRJYCRSA-N 430.935 6.328 30 40 IKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@H]2c1ccc([N+](=O)[O-])cc1 2057057 UDSFBCNQXCPMGT-DEOSSOPVSA-N 446.547 6.407 30 40 IKEB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1 2181380 MACBUBYXLZAEDI-LGJNPRDNSA-N 449.576 6.534 30 40 IKEB CCCCCCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2416482 FUNKOUYYKOPHGF-UHFFFAOYSA-N 442.610 5.422 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F 2727246 MYDTUXQZYKGFBP-CRICUBBOSA-N 449.522 5.149 30 40 IKEB Oc1ccc(/N=C/C=C/c2ccc(Cl)cc2Cl)cc1-c1nc2ccccc2s1 2756857 FSCVJISZUKFERC-UMKNWRDPSA-N 425.340 7.391 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)C1=C(N2)c2ccccc2C1=O 3257387 LIJJATIVOPBHET-QHCPKHFHSA-N 433.467 5.074 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 4081752 MHAVMNJPXLZEIG-CNRMHUMKSA-N 438.696 7.412 30 40 IKEB biogenic CN(C)c1ccc(/C=C/C(=O)c2ccc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)cc1 6135772 XGEPQUCZSUSWEA-QGOAFFKASA-N 446.506 5.603 30 40 IKEB N#Cc1c(-c2ccc(Br)cc2)cc(C2CC2)nc1SCC(=O)c1ccccc1 8397658 BVAYJGWWHFBXLR-UHFFFAOYSA-N 449.373 6.235 30 40 IKEB Cc1cc(C)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 8966205 YQRVXKVREOLRIN-QGZVFWFLSA-N 438.603 5.163 30 40 IKEB Clc1cccc(Cl)c1CN/N=C/c1ccc(OCc2cccc3ccccc23)cc1 9195135 BWAJKOLTFMMOIV-RWPZCVJISA-N 435.354 6.849 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OC)c1OCc1ccccc1C#N 9260932 PVCJOXXOGQHQPR-LPYMAVHISA-N 448.544 5.319 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccc(C)c1 9261014 NPYDWDODNYNBBU-UHFFFAOYSA-N 432.471 5.189 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(F)(F)F)cc2)cc1 15303968 LLNRKJFJWZESND-BCHFMIIMSA-N 448.488 6.993 30 40 IKEB Cc1ccc(N/C=C2\C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1Cl 20558888 KRSDRIUFJHUQCL-HYARGMPZSA-N 438.936 5.135 30 40 IKEB COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3c(C)cccc3C)n1)C2=O 24980823 QMLKSVOOSAMSHZ-UNOMPAQXSA-N 432.545 5.666 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)c2C)cc1 59105977 LRMAQOOORHMVFP-HMAPJEAMSA-N 435.524 5.524 30 40 IKEB CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C 97978872 LXTVAOWDMLOIBO-NRFANRHFSA-N 441.653 6.159 30 40 IKEB in-vitro CCOc1ccccc1NC(=O)c1c(/N=C/c2sccc2C)sc2c1CCCCC2 101185166 BRUXYNJBJZBKEK-MFKUBSTISA-N 438.618 6.789 30 40 IKEB COc1cc(/C=C/C(=O)c2c(-c3ccccc3)c3ccc(C)cc3[nH]c2=O)cc(OC)c1 226818147 RBEACFXJSNCDIZ-ZRDIBKRKSA-N 425.484 5.417 30 40 IKEB N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 408751288 YVQCPWWIYXNHMP-UHFFFAOYSA-N 435.961 6.366 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 408783246 MXRZCBPDMXTLPT-FSJBWODESA-N 448.735 6.411 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409085558 SMZZOGSRZWDKIV-JZNDDVEWSA-N 447.560 6.998 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl 409092726 WAVXKRWPFGOZRN-ACWMPWAISA-N 448.975 6.937 30 40 IKEB F/C(=C/CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330448 NCWBPFFZXQDEHX-HNQUOIGGSA-N 446.100 6.531 30 40 IKEB C=CCn1c(SCc2cc(=O)oc3cc(C)c(Cl)cc23)nnc1C1CCCCC1 3297302 QOLZCTFFCMSWFS-UHFFFAOYSA-N 429.973 5.872 30 40 IKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)[C@@H](O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 4293646 UUQHSDXEXFGEPZ-FPOWXWDUSA-N 430.717 7.380 30 40 IKEB CC1=C/C(=N\Nc2ccccc2)[C@H](C(O)(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 5065304 PCAIZXFSAQUOMS-JUCPORTRSA-N 427.269 5.841 30 40 IKEB O=C(/C=C/c1cc2ccccc2o1)c1cc(Br)ccc1OCc1ccccc1 6148129 DHFSLMMZWIQXHD-VAWYXSNFSA-N 433.301 6.670 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)c3ccccc3)c2C#N)cc1 6157141 LVBZHRPXDVMHNQ-UHFFFAOYSA-N 436.536 6.271 30 40 IKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC3CCCCC3)n2)cc1 6246046 QFVBJTLITRBXPO-UHFFFAOYSA-N 433.020 7.922 30 40 IKEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(C)s1 9494405 BDWARKGJTKUSIN-KRWDZBQOSA-N 429.611 5.233 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1cccs1 12564699 VNZPCJPEJWDQNC-VAWYXSNFSA-N 435.346 6.259 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC 13567798 AAXBNBRRJJHSHZ-MRXNPFEDSA-N 439.939 5.521 30 40 IKEB CC1(C)CC(=O)C2=C(c3cccc(Oc4ccccc4)c3)Nc3ccc4ccccc4c3[C@@H]2C1 15277289 UZZZQEDXUCOLRS-VWLOTQADSA-N 445.562 7.942 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccncc2)cc1 16741315 NOJQMHIZVDVQQG-NRFANRHFSA-N 441.512 5.091 30 40 IKEB C=C(C/C=C(\C)CCC=C(C)C)C(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 20111722 XHSRFCRGSWRBSP-KYRPUADMSA-N 425.569 5.551 30 40 IKEB biogenic Cc1c(Cl)cccc1N/C=C1\C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 20558890 VJCKBXYFXHEXNL-HYARGMPZSA-N 438.936 5.135 30 40 IKEB CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 35973800 RUCSBLGADDDLHI-HIIGZGGBSA-N 445.559 5.399 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccc(C)cc2)cc1 44858801 UQXLGNYKULKNHM-XMMPIXPASA-N 440.547 5.410 30 40 IKEB CC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 59500703 OLUWXTSJSOAPNH-VULFUBBASA-N 433.916 6.727 30 40 IKEB CC(=O)Nc1ccc(/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 59520212 VBUHCWOTNCVATP-QYQHSDTDSA-N 438.314 5.619 30 40 IKEB Cc1c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 95671329 VJCYBERFEMQMFL-MDZDMXLPSA-N 427.413 5.222 30 40 IKEB COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C 100319180 QEKANXFTDOFSFP-LMTJQJACSA-N 434.605 6.674 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 223562564 YDKSGRIYQSCCOL-DDBXXPGKSA-N 442.603 7.739 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccc(C)cc4)NC3=O)cc2[C@@H](C)CC1(C)C 223578931 BWCDNDUKFMYREE-PVFDWLMNSA-N 433.621 6.307 30 40 IKEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224628347 NDXVKIGZVDGAES-UHFFFAOYSA-N 441.163 5.690 30 40 IKEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 408561039 WEMYEJCSTIPJII-UHFFFAOYSA-N 441.626 5.278 30 40 IKEB C[C@H](NC(=O)COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 408813441 NGPCOVIQRIKJBB-IMVGLAPISA-N 427.331 6.000 30 40 IKEB COc1cccc2c(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c(-c3ccccc3)[nH]c12 408826587 HIBVGUWJBNALME-PXLXIMEGSA-N 439.540 6.044 30 40 IKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC 408943931 SSTSGKJPRNWSDI-BRGLFVENSA-N 438.571 7.061 30 40 IKEB CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408944955 VPHKNZNFVYJJBP-GDLADBNMSA-N 444.578 7.816 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(OCc2ccccc2Cl)cc1 409045838 IUPOIYWRXJVREE-WMDMUMDLSA-N 428.735 5.633 30 40 IKEB C=CCc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OCC)c1OCC 409068076 FPEFTHVWDOITKC-DHRITJCHSA-N 437.418 5.586 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409071580 KIJFMRPLKIIPKL-GIDUJCDVSA-N 425.249 5.384 30 40 IKEB Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1C 409212385 QXTXCALGNPHNDK-FSJBWODESA-N 425.828 6.316 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc2ccccc12 409214501 VMWOIFCKVNQWIE-MUFRIFMGSA-N 429.947 7.448 30 40 IKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4ccc(F)cc4Cl)nc3c1)OCO2 1435202 ZYGUDOOMVKWSOX-PGGKNCGUSA-N 439.786 5.675 30 40 IKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 2062827 JVJGWWMUPHFAJO-UHFFFAOYSA-N 448.346 6.311 30 40 IKEB N#Cc1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2 2746033 GRYABEUGUGJAEO-QHCPKHFHSA-N 432.614 6.751 30 40 IKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)cc3)oc2c1 3112973 NPQPNYDLWPWHJT-FSJBWODESA-N 436.265 6.225 30 40 IKEB CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 4062256 RPJYQERFYOCLIV-WINIVTDRSA-N 444.962 6.718 30 40 IKEB CCOc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(Cc3ccco3)C1=O)OCO2 8451842 ROUYAPDUUUROKS-BZTNSOLFSA-N 448.500 5.211 30 40 IKEB CCc1ccc(C(/C=C/c2ccc(F)cc2)=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 13300894 IKZXOSWMKYTPPV-WNJHINTHSA-N 434.427 5.734 30 40 IKEB COc1ccc(OC)c([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c1 13838859 MQMQMQMTYBPBLG-DEOSSOPVSA-N 425.488 5.334 30 40 IKEB CC(C)(C)c1ccc(Oc2ccc(/C=C/C(=O)c3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1 16035540 IXEFSCWAUIVULW-MKMNVTDBSA-N 426.472 6.452 30 40 IKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccc(Cl)cc1Cl 17101974 AMIUUJYTQBRGGW-ZLOXQWCVSA-N 438.358 6.433 30 40 IKEB Oc1cc2ccccc2cc1-c1nc2cc(/N=C/c3c(O)ccc4ccccc34)ccc2o1 21965887 DCTPHCSLBKWZNS-MUFRIFMGSA-N 430.463 6.963 30 40 IKEB N#C[C@@H](c1nc2ccccc2nc1SC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 32828885 ZJWAXMIGRLHSRL-IBGZPJMESA-N 443.981 5.356 30 40 IKEB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 41660938 PXOKXSYHPPLXLI-DICXZTSXSA-N 446.506 5.717 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 83299344 OISDJJMMUZORAP-OYKKKHCWSA-N 425.872 5.672 30 40 IKEB F/C(=C\CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531206 NCWBPFFZXQDEHX-IWQZZHSRSA-N 446.100 6.531 30 40 IKEB CCCCCCCCCC[C@@H](C(=O)OCCCC)P(=O)(OCCCC)OCCCC 104332861 LDUMVHJBGPZORD-QHCPKHFHSA-N 448.625 8.056 30 40 IKEB CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/c1ccc(Cl)cc1 105757714 SJSZQPZVWZZHQE-QAYQYMSWSA-N 433.936 5.095 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@@]21C 118924540 HVEXIRSOIACQFA-OKEIMNDESA-N 430.677 7.378 30 40 IKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2[C@H](C)CC1(C)C 198095935 SCCXCGAKZJHCDS-RJACIUSSSA-N 428.576 7.350 30 40 IKEB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3)c2-c2ccccc2)cc1 408741839 LKWKRNSGIDZMQC-AWSUPERCSA-N 442.562 7.961 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2c1 408774438 XAZOVUBFCQPCAD-HAHDFKILSA-N 432.545 5.837 30 40 IKEB CC[C@H](C)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408858482 SLEOORSLLMMQIG-KIQCMGJBSA-N 448.813 8.111 30 40 IKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 408915078 WYNRUVGDRQMQSI-AJGXWLHTSA-N 438.552 5.811 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@H](C)CC)c(Cl)c3)S2)cc1 408949527 BIFQSSLJMRADIZ-GNUZOCDUSA-N 430.957 5.808 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl 409035197 JEPBRZUPJSJCEU-ZHZULCJRSA-N 429.925 5.329 30 40 IKEB Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(Br)c1 409064570 PYPPXAYHEHIFTH-MXAYSNPKSA-N 438.394 6.419 30 40 IKEB Clc1ccc(Sc2ccc(/C=N/c3ccc(Br)c(Cl)c3)cc2)cc1 409075274 QIPGQVQETVOASJ-FSJBWODESA-N 437.189 7.658 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1ccc(OC)cc1 409237380 WIMYDOARKYDXMO-WRKLRJIISA-N 449.488 5.487 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 1240190 WKJQIQLVPKQTTD-UHFFFAOYSA-N 432.589 5.978 30 40 IKEB biogenic C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3 2252228 JCQFDSHQQLOBFC-GOSISDBHSA-N 426.607 5.521 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 2354222 WLVVQLIZCFBEMH-UVQVWFEYSA-N 445.588 5.873 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1OC 2424204 LXMGYQGRPKVZJN-KSEXSDGBSA-N 440.854 5.692 30 40 IKEB Clc1ccc(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1Cl 3248064 IDMNDYAUJUKNBW-UXHLAJHPSA-N 441.361 8.355 30 40 IKEB N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2ccc(Cl)cc2)c1 8762203 OQBRYNGDPBBFPE-UHFFFAOYSA-N 433.747 6.922 30 40 IKEB CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 8771144 CWOVYILZBWGNOO-QFIPXVFZSA-N 442.563 5.039 30 40 IKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 9046298 QQLVHETVPXWTBX-NRFANRHFSA-N 444.487 5.527 30 40 IKEB C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 9548939 XCMFLYGVLPHBDZ-JOCHJYFZSA-N 444.535 5.742 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(OC(C)C)cc4)Oc4ccccc4[C@H]3C2)cc1 12194212 GWNCCVGLRPMTRM-IAPPQJPRSA-N 440.543 6.281 30 40 IKEB C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc2ccccc2c1=O 12624411 DOLVGDAVMRQYMG-UHFFFAOYSA-N 439.625 5.169 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 14118779 LVWQJOWAUDWHKE-UHFFFAOYSA-N 439.540 5.870 30 40 IKEB N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccccc1)CC/C2=C/c1ccccc1 31934156 ULUYMMFZEHEIJN-MOHJPFBDSA-N 430.576 7.399 30 40 IKEB COc1ccc(Nc2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)cc1 33027058 BFLDMQRQPJVNNT-UHFFFAOYSA-N 437.455 6.291 30 40 IKEB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O 59498704 LNOVHERIIMJMDG-XZXLULOTSA-N 440.668 7.522 30 40 IKEB investigational Cc1[nH]nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1Cl 95707845 UYHGKRUZKUKMBZ-UHFFFAOYSA-N 434.583 5.567 30 40 IKEB CCCCCCCC/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 97983916 IDWFOMRWRJQNSK-ZNDZNQEKSA-N 437.631 7.822 30 40 IKEB CCCCCCCCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2CCCCCCCC)cc1 100023033 NWIFRDQEAOJOGK-ZCYQVOJMSA-N 428.661 7.102 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 101069915 XPVJOZGNWYXKME-JBCNATCCSA-N 448.316 5.384 30 40 IKEB CCCCCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(C)cc1 102136845 JRWHJVBJPMAUGZ-JOCHJYFZSA-N 437.565 5.326 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N/CCCN5CCCC5)[C@@]4(C)CC[C@@H]32)C1 118935618 GHSYWLKHFMASTM-SBKHMNHESA-N 440.672 5.808 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 252448863 FHIHDASURXFVSB-OMSPMETCSA-N 444.585 7.913 30 40 IKEB COc1cc(/C=N/Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 408568446 UMLLGCCRMDIBQF-ZMOGYAJESA-N 445.744 6.136 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)c([N+](=O)[O-])c1 408720763 YUUDNQYPYVFKBG-DHRITJCHSA-N 449.488 5.594 30 40 IKEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OCc1c(Cl)cccc1Cl 408887148 OJJLYFKERIHMFQ-YSURURNPSA-N 447.278 5.330 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C2CCCCC2)cc1 408908957 BDUSVKTUAOIMOG-LISDSOCTSA-N 426.969 6.291 30 40 IKEB CCCCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccc(C)cc1 408911424 JLUWSEGZZONNPA-DNLCFCFBSA-N 445.382 5.867 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OCC 409054255 IMIZAWUIVJJSJB-UYRXBGFRSA-N 445.924 5.553 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3c(-c4ccccc4)[nH]c4ccccc34)c2C#N)C1 409077208 DKYFSTVWMRRKPT-ZXAKHJNPSA-N 437.612 7.670 30 40 IKEB Brc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 409211309 LLMJGBORFULUTH-YDZHTSKRSA-N 445.154 6.541 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)c(Cl)c1 409318065 URQZAIMBQOAKSW-GFCCVEGCSA-N 448.748 5.217 30 40 IKEB CN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(OC(C)(C)C)c1 409407257 SWHPEMDXXUYCEV-UHFFFAOYSA-N 440.547 5.189 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC(C)C)cc1 1531275251 LHEAMLZWTCHMSQ-GMJSKMFWSA-N 442.357 5.342 30 40 IKEB Cc1ccc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)c3ccccc3n2)cc1 3219559 OYRWOKIYOXMQOI-UHFFFAOYSA-N 449.510 5.314 30 40 IKEB CCOC(=O)/C(C)=C1\N=C(c2ccccc2)O/C(=N\C2CCCCC2)N1C1CCCCC1 5496383 OKIBUTSBBORVHP-VLRXCLQYSA-N 437.584 5.581 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)O)c3)[C@H]2c2ccc(Cl)cc2)cc1 8902671 KXVGCKQUNYHQRK-NRFANRHFSA-N 447.874 5.130 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1C1CCCCC1 9963785 ZBSWVTUDCICRJJ-UHFFFAOYSA-N 435.391 5.005 30 40 IKEB COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 12951700 NSHLIMBWNHJGRP-RFTNNARTSA-N 441.861 5.992 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(OCC)c2)S/C1=N\c1ccccc1 15010506 YQYIDYWBMUZUQE-JTUXUYRKSA-N 438.593 6.134 30 40 IKEB C=CCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 16740080 AGDCPSYPQOWPNG-OLFWJLLRSA-N 436.502 7.321 30 40 IKEB Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N3)cc1 16807380 GDPKHQIRNMEXRX-OAQYLSRUSA-N 443.572 5.244 30 40 IKEB N#Cc1nc(Cc2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 20437679 WNWYQUYHRMXFOC-UHFFFAOYSA-N 434.543 5.049 30 40 IKEB COc1cc(/C=N\Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl 31854373 IZMGLWCEYKMBCG-WGARJPEWSA-N 449.963 6.497 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)c1 32916750 LTXNXMNFENGWCH-LPYMAVHISA-N 435.980 6.256 30 40 IKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 36611342 LDMKLQKWAINFKF-GZIVZEMBSA-N 430.839 5.174 30 40 IKEB Brc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)oc1N1CCOCC1 59678249 QNHSMYYPQSDORP-HZHRSRAPSA-N 426.314 5.373 30 40 IKEB COc1cccc(/C=C/C(=O)c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)c1OC 95946211 WFNWXDFWRFIQJO-NTCAYCPXSA-N 445.902 5.762 30 40 IKEB CCCCOc1ccc(/C=N\c2ccc(/N=C/c3ccc(OCCCC)cc3)cc2)cc1 100178853 JGPJVRJLTHAEQE-DWVPNOFWSA-N 428.576 7.546 30 40 IKEB CCCCCCCCCCCC1=C(O)C(=O)C=C(Nc2c(Cl)cccc2Cl)C1=O 100392807 GQEATNVCYDMOEM-UHFFFAOYSA-N 438.395 7.174 30 40 IKEB biogenic,in-vitro C=CCN(c1ccc(C(=O)N[C@H](CC)c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 260565492 OTHRMXHJXVUULY-RUZDIDTESA-N 448.588 5.257 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)oc(-c2ccccc2)c1-c1ccccc1 408918391 JWZDISKOQCTCIY-FDAWAROLSA-N 448.909 8.149 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 409214018 WTHFDWNNNTZOBG-VULFUBBASA-N 442.328 6.625 30 40 IKEB O=C(COc1ccc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 409220411 YXNGYONVJDCKIX-WYMPLXKRSA-N 444.274 5.670 30 40 IKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(CC3CCCCC3)C2=O)c(C)c1 1031937 DWKRQECERAXCQG-WOLPYFHWSA-N 449.620 5.844 30 40 IKEB CCC1=C(CC)[C@H](CC)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O 1108192 BQIGNKOHMRZTIZ-KOSHJBKYSA-N 425.594 5.744 30 40 IKEB N#C[C@@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@](O)(c2ccccc2)C1 1675871 APFZSRPPJUQXLR-DNQXCXABSA-N 431.333 5.498 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 3028564 CIOJSEUNDAJRGQ-WYMPLXKRSA-N 447.343 6.912 30 40 IKEB CCOC(=O)c1ccc(NC(=O)c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1 3146899 MDYXCDXEBPOVKY-OGLMXYFKSA-N 438.483 5.725 30 40 IKEB CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 4047867 UXBLMKHKNIFXDS-XHCCPWGMSA-N 443.978 6.386 30 40 IKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SC/C=C/c1ccccc1 8443092 IDFYAPSUCOWTBB-XBXARRHUSA-N 428.557 7.293 30 40 IKEB CCn1c2ccccc2c2cc(/C=N\N=C\c3ccc4c(c3)c3ccccc3n4CC)ccc21 8659479 KCJZDFJMCCVCNA-QXLZFTBOSA-N 442.566 7.395 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(F)cc1 12574261 JQBLNSVBPHSPCQ-XNTDXEJSSA-N 447.307 6.337 30 40 IKEB O=C1C(c2ccccc2)=C(c2ccccc2)[C@H]2c3cccc4cccc(c34)[C@@]12N1CCCC1 19923685 LIFGSDXTAOHPPE-VEEOACQBSA-N 427.547 6.422 30 40 IKEB COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1O 22612082 KNHCKVQFMMQSOT-RPPGKUMJSA-N 437.952 5.296 30 40 IKEB Cc1cc(C)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(=O)O)cc2)cc1C 58356354 VBSXITQEIJLLPV-NRFANRHFSA-N 447.512 5.154 30 40 IKEB COc1c2c(cc3c1[C@@H](CC(=O)/C(C)=C/[C@@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 95344622 SSFGQCRZUFDDEM-QJLCOAGJSA-N 425.569 5.241 30 40 IKEB biogenic CCCCCCCCSCC(=O)NCCNC(=O)CSCCCCCCCC 100934653 AQNKZSLUUNKELF-UHFFFAOYSA-N 432.740 5.406 30 40 IKEB C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225066709 LYTLNWIQHNLRDU-UHFFFAOYSA-N 429.925 5.051 30 40 IKEB Cn1c(N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)nc2ccccc21 408669929 XPGOCFASVPFIKZ-DHRITJCHSA-N 425.319 5.905 30 40 IKEB Ic1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)cc1 408733177 FRDRHJISVHLDII-JAIQZWGSSA-N 445.285 5.607 30 40 IKEB CCn1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 408890379 SCNORWAXEUPUQM-UHFFFAOYSA-N 430.592 5.977 30 40 IKEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OCc1ccc(C)cc1 408913471 VBDDIJFNSGAQKU-WGARJPEWSA-N 432.480 5.060 30 40 IKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(N(C)C)cc3)sc1C2 409055455 IQQNUHFTFLCSTJ-SSDVNMTOSA-N 428.355 5.302 30 40 IKEB N#Cc1c(/N=C/c2cc(Br)c(Sc3ncccn3)o2)sc2c1CCCC2 409099017 PLPXLNVEXLFPSL-AUEPDCJTSA-N 445.367 5.546 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409199978 GEUSPLNOXJILSD-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cccc(Cl)c2C)c1 409210015 JDOQSHBERRDZOL-MUFRIFMGSA-N 442.946 6.878 30 40 IKEB CCc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 409210649 GBQNWHJZINTBGY-MZJWZYIUSA-N 444.409 6.728 30 40 IKEB CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC(C)(C)C 1531382701 HOKMOYBOKJJAMG-MTDXEUNCSA-N 441.531 5.522 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2F)c1 1531384230 XICFWOAOIZUGHU-UXHLAJHPSA-N 449.485 5.664 30 40 IKEB C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 2362725 XTVKCSWGBRAPIZ-STZFKDTASA-N 447.585 5.244 30 40 IKEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(-c2ccccc2)cc1 2446756 BOESGQXQAXTDCE-UHFFFAOYSA-N 441.556 5.685 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1cccc(OC)c1 2452435 VNJFRBRIGISRRW-KRWDZBQOSA-N 436.581 5.384 30 40 IKEB O=C(Nc1ccc(SC(F)F)cc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 3171742 BFRMQKHJWLXAAO-AWEZNQCLSA-N 445.331 6.126 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1 8386260 NTAYZZVHWJFUFS-UHFFFAOYSA-N 426.557 6.257 30 40 IKEB O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1ccccc1OC1CCCC1 8398375 WGTKSOJNPQSDIT-UYRXBGFRSA-N 432.467 5.918 30 40 IKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 9271588 YBYAGDZELJVOKD-OAQYLSRUSA-N 426.497 5.388 30 40 IKEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 9731769 PADYTMQKGGZNIK-HSZRJFAPSA-N 444.535 5.011 30 40 IKEB CCN1C/C(=C/c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 12604472 PNRCZERKCUVEHU-BSHIDLADSA-N 441.185 6.672 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccccc3Cl)n2)cc1OC 13305388 SJJYZRSVTRTQME-JVWAILMASA-N 444.922 5.927 30 40 IKEB COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1O)C[C@H](CC=C(C)C)C(C)(C)O2 13416226 JJMWPCIGAITBBF-YRYLYKBFSA-N 438.520 5.394 30 40 IKEB biogenic,in-vitro C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(C)c2)SC1=S 13898160 CWURBLNKVQJTKZ-PGMHBOJBSA-N 425.575 5.230 30 40 IKEB Brc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccccc1 14408430 OUWAGWDEDUGJFM-YDZHTSKRSA-N 438.350 6.084 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1 15980615 UPOMMTKKTGMQLV-GIJQJNRQSA-N 433.573 5.989 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 16638955 PCGROMWVFISURP-YZSQISJMSA-N 432.476 5.599 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3)nc2c1 38180036 BPQSEHOYMGGIIB-NXYZXBHKSA-N 429.476 6.681 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59250054 BMMWHWFQIYLFSX-LSHDLFTRSA-N 441.177 7.559 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 83316245 GTTVBTMZHRGZEK-MSXFZWOLSA-N 446.290 5.935 30 40 IKEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 101029331 RJKXINZOVBYZOZ-ISSOZRQYSA-N 429.501 5.442 30 40 IKEB CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)[C@@H]1CCC2=C(Sc3ccccc3N2)C1=O 102958848 HCOPFRMPZDCQJQ-GOSISDBHSA-N 448.588 5.850 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 253617042 CMCWTYNIVZMUIH-NFTYERRWSA-N 430.554 7.701 30 40 IKEB C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(C(=O)OCC)cc1 254288323 GUHHKQDFXNHGSZ-UHFFFAOYSA-N 433.360 6.119 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1C[C@H]1CCCO1 408959706 DOIHWKCCKXMBMI-AHSHBFANSA-N 447.604 5.460 30 40 IKEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 409075302 QODZAJDTIYADGO-BHGWPJFGSA-N 447.278 5.330 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409113538 GTCVBQOMYSIEGN-WQRHYEAKSA-N 442.353 5.566 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3c[nH]c4ccc(Br)cc34)c2C#N)C1 409214541 VUQUYZRGESFYEA-SVLFYUKMSA-N 440.410 6.765 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409216728 KVKRNJFPNUFSHK-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S/C1=N/c1ccc(F)cc1 409234922 ASTKZPOHELEAHA-FVGZADTASA-N 447.579 6.474 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CC(=O)O)ccc1OCC 585263924 HFOTYZGGZGXSRN-PPUAZLSFSA-N 428.956 6.192 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](c2ccccc2)O[C@@H]1c1cccc(F)c1OCC(=O)O 585268191 WVJRFBPAGFTRDN-JUIYCPNDSA-N 446.518 6.468 30 40 IKEB COc1ccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 7061109 AQPFSFCGGSNKDH-UHFFFAOYSA-N 443.572 5.282 30 40 IKEB biogenic O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)CCCC3 8711339 FPDDNVARDUICGI-KIBLKLHPSA-N 444.343 5.786 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 9380175 WCTKBMBMMXFNNY-AXLPEMCNSA-N 435.980 6.127 30 40 IKEB C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1cccc(Cl)c1 9729930 BAPBVPGTUDMTPW-AWEZNQCLSA-N 431.920 5.199 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)c(Cl)c1)c1c([nH]n(-c3ccccc3)c1=O)N2 18196063 OAQLJFMJSUJXHE-SFHVURJKSA-N 426.303 5.037 30 40 IKEB N#Cc1c(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)sc2c1CCCC2 27742722 AMZCYSJNZHNRET-UHFFFAOYSA-N 440.981 5.487 30 40 IKEB N#Cc1ccc(NC(=O)CSCc2csc(-c3cccc(Br)c3)n2)cc1 32779065 CKVHMTFSQUUZPS-UHFFFAOYSA-N 444.379 5.316 30 40 IKEB Clc1ccc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3Cl)C23CO3)c(Cl)c1 51330043 DMTMKPWKVSZUIE-BVXMOGEKSA-N 426.170 7.720 30 40 IKEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59484260 LEADPKJGYXLZLW-OEAKJJBVSA-N 445.460 5.740 30 40 IKEB C=CCOc1c(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cccc1OC 408528442 GEJATLPXFFRXQI-RGEXLXHISA-N 427.547 5.065 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc(Cl)c1O 408913729 RJVBHBQISOHMSJ-XFKFKZEQSA-N 430.957 5.631 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1C1CCCCC1 408914117 TUTSXWUSFLXDJE-AJGXWLHTSA-N 448.632 6.973 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 409052147 GFGQPJYZUJNDIN-UNOMPAQXSA-N 443.977 5.070 30 40 IKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)cc1 409083883 URVJIJSVLIZTMK-WALIPBEOSA-N 430.617 7.210 30 40 IKEB O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)Sc2ccccc21 409323710 PHBFSGYNIKCPSY-CIAFOILYSA-N 441.321 6.497 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OC(C)C 1531275458 NYAVNEKOCHHLDE-ZVHZXABRSA-N 442.357 5.171 30 40 IKEB COC(=O)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC 924069 JOYACLAZUNGSGP-VWLOTQADSA-N 442.515 5.340 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1Cl 1440306 QHMFYWIYOIEYAZ-UHFFFAOYSA-N 426.973 5.441 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O 2174465 YASOULSQRVOPLY-WRANEOQNSA-N 430.957 5.704 30 40 IKEB CN(C)c1ccc(/C=N/Nc2nc3sc4c(c3c(=O)n2C2CCCCC2)CCCC4)cc1 8431515 IGNIFCVXTVNJLV-WGOQTCKBSA-N 449.624 5.354 30 40 IKEB Cc1nc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n(C[C@H]2CCCO2)c1C 12520127 HFMWTEOTWVTYJJ-VOLNOZNDSA-N 439.625 5.040 30 40 IKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(I)cc1 32100458 MPDYIQRNHXIEKV-ZHACJKMWSA-N 442.094 5.252 30 40 IKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3Br)nc2cc1C 34791528 PVVUDSCUOVYWRJ-UHFFFAOYSA-N 426.339 5.217 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccc(Cl)cc3)cnn1[C@H]2c1ccccc1 44858820 PBBYXVNTLFBFJX-QFIPXVFZSA-N 446.938 5.447 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCc1ccccc1 118079449 WOEXFQLMZRTFLD-UHFFFAOYSA-N 432.645 7.535 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1)S(C)(=O)=O 218388737 WAECHAJRSUNSTI-UHFFFAOYSA-N 447.560 5.019 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1OC 408906067 HAHVXENPRPMLJP-UINIZAEWSA-N 444.556 5.898 30 40 IKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Br 408945934 XSLBOQDZPZXFRQ-BGXAXVOZSA-N 445.360 6.732 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 408960697 NYMHXBKXPIQTNN-OZJHTRJKSA-N 435.593 5.317 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)S2)cc1 408962939 WDDXRGDSIYDWMY-CPNJWEJPSA-N 427.451 5.696 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1Cl 409211245 MTHRTCUDEUQMQP-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)CC)cc1 1531276678 ONKGWXMOAAGMEY-BGHCKBSUSA-N 442.357 5.171 30 40 IKEB C#CCOc1ccc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 2745099 ZEIPSOYTXCIMJG-QHCPKHFHSA-N 447.332 5.541 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl 2795856 CGOHDXAYDRPWCW-FQEVSTJZSA-N 436.379 5.941 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc(/N=C/c2c(OC)ccc3ccccc23)cc1 2842420 HHYXHLZMJNQUBY-GKTLAHRSSA-N 444.534 7.511 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1OC 8993438 HFGZHXCGDUXQMR-UHFFFAOYSA-N 448.441 6.088 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 9191631 QZJAJWSFAMOGSR-XRHLQHRESA-N 442.515 5.599 30 40 IKEB N#Cc1cccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)c1 9197756 MZVGZONURLBRMQ-XODNFHPESA-N 433.342 5.992 30 40 IKEB COc1cccc(/C(C)=N/Nc2ccc(C(=O)c3c(C)cc4ccccn34)cc2[N+](=O)[O-])c1 12563266 LTHURSJWEAWVLK-YZSQISJMSA-N 442.475 5.232 30 40 IKEB COc1ccc(/C=N/n2cc(-c3ccccc3)nc2SCC(=O)c2ccccc2)cc1 12624727 XCHLBJBOPATIPE-WGOQTCKBSA-N 427.529 5.416 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=N\c3ccc(O)c(-c4nc5ccccc5o4)c3)o2)cc1 16194225 ZLTJOFHBQOAPIS-DICXZTSXSA-N 438.439 5.998 30 40 IKEB CCCCCc1ccc(/C(C)=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19626193 BOZPRLZVGHUVLP-QCKNELIISA-N 439.647 6.551 30 40 IKEB N#CC1(C#N)[C@@H](c2ccc(F)cc2F)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 20792750 DTKWICPHYBOMGE-GSLIJJQTSA-N 437.449 5.375 30 40 IKEB CCN1C/C(=C/c2cccc(Cl)c2Cl)C(=O)/C(=C/c2cccc(Cl)c2Cl)C1 25157596 WCOCFSZLWNCZDP-CKOAPEAFSA-N 441.185 6.672 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1c2ccccc2cc2ccccc12 33663586 ZGNCSGJQZIVMRU-NDZAJKAJSA-N 425.491 6.252 30 40 IKEB C=CCN(CCc1ccccc1)C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 60302713 PNLPUOPXGGMLEP-UHFFFAOYSA-N 429.351 5.007 30 40 IKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 65165011 VVIRSLMAFQMSQF-JOCHJYFZSA-N 446.576 5.237 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccc(Br)c3)c(C)c2s1 72228603 IYDBUDXGJSIYJM-MSXFZWOLSA-N 445.386 6.126 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102601609 PGFHTKZSXLUQRR-AYWGPLOBSA-N 431.919 5.313 30 40 IKEB C[C@@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118917365 BHUDKWOFZIXCDR-KPQZGTGUSA-N 426.597 5.101 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)cc2)cc1 223562412 NUDLUESWUABMKE-TZDDYMTFSA-N 426.604 8.039 30 40 IKEB COc1cccc(C=Nc2cccc(NC(=O)c3ccccc3Br)c2)c1O 257346721 GYLHPQPEGLITIQ-UHFFFAOYSA-N 425.282 5.166 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1O 408851105 IHQLRXOYZKWIFC-MZURAFEFSA-N 426.513 5.477 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408858778 LTNDOKMIJCTGRW-ZDLGFXPLSA-N 442.855 5.329 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OCC 409210408 JPRJQTPYEFWIKL-SRZZPIQSSA-N 443.712 5.801 30 40 IKEB CCCCCCCCCCCO[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 618071538 FDSHRKSLRYVLJE-QJFVUISJSA-N 428.701 8.044 30 40 IKEB CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1077209 RBQJCXIQDJZMJG-DCFHFQCYSA-N 426.585 6.696 30 40 IKEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1cccc2ccccc12 8385144 SIDJDATZBYQNHC-YMVPSHTBSA-N 431.561 5.437 30 40 IKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]3c1cccc(Cl)c1Cl 8846657 WJEPMVOKOODBNE-QFIPXVFZSA-N 437.370 7.051 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1cccs1 9046548 MESAEETYMXDSTI-SFHVURJKSA-N 436.489 5.280 30 40 IKEB Cc1ccc2nc(Cl)c(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)cc2c1 9344914 HQBLLKDCQVQDDC-LUOAPIJWSA-N 429.936 6.314 30 40 IKEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 9390533 NHMGWNBGLQRNAC-UHFFFAOYSA-N 435.528 5.192 30 40 IKEB C/C(=N\N=c1/scc(-c2ccc(Cl)cc2)n1Cc1ccccc1)c1ccc(F)cc1 16711531 BCNJCAZXQHJYCQ-YACXLVKKSA-N 435.955 6.382 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C#N)C1 17097418 QROSFKTVJKDZTL-NSHDSACASA-N 431.344 6.564 30 40 IKEB CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc23)C[C@@H](c2ccccc2)CC1=O 100140140 WVLDWJLUIFFIDW-HXUWFJFHSA-N 444.575 5.387 30 40 IKEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc(I)cc1 408775075 YNPOOEFQRYPGMG-WSDLNYQXSA-N 444.272 5.148 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 408844913 JCUALCWFQCFLGI-DSRUXAPKSA-N 445.415 7.176 30 40 IKEB CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1CC 408854003 VJIVFKLXZTZGBN-VHEDRBLESA-N 435.376 5.885 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c2ccccc12 408915061 WURPOZOGLLHTJZ-PIINERKHSA-N 444.600 6.807 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccc(N(C)C)o3)c(C#N)c2-c2ccc(OC)cc2)cc1 408919386 XELPCXYYJHZWRW-LQKURTRISA-N 441.487 5.912 30 40 IKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 409136390 UGKKARZXKZIIRQ-UHFFFAOYSA-N 437.967 6.667 30 40 IKEB C=CCOc1c(Br)cc(-c2nc3ccccc3s2)cc1Br 409195812 WCHZGTBQDRSAOM-UHFFFAOYSA-N 425.145 6.053 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12 409200755 JABVJXKQXYBJRU-RWPZCVJISA-N 429.903 6.829 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c(C)c1 409201585 MTUVEPURYWLWNH-DHRITJCHSA-N 428.757 7.049 30 40 IKEB F/C(=C/CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 575330484 PVZVOMUQXLHQJU-HNQUOIGGSA-N 446.100 6.531 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1OC 709643 MTEXHNHGKQLPMQ-CLYVBNDRSA-N 442.515 5.389 30 40 IKEB Cc1ccccc1C(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F 2300596 FYXUEULASVHMRB-UHFFFAOYSA-N 428.735 5.450 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccccc2OC(F)F)cc1OC 3233635 YUMAPTIMRPLUDP-RWPZCVJISA-N 449.457 5.909 30 40 IKEB N#CCCSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1 3330379 HBXUQERWHOYMLO-UHFFFAOYSA-N 443.281 6.266 30 40 IKEB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CO/N=C/c4ccccc4Cl)nc3c12 8993207 XZQKBCKJWBUOHW-LUOAPIJWSA-N 448.889 5.028 30 40 IKEB Cc1ccc2c(Cl)cc(Cl)c(OC/C(=N/c3ccccc3)Nc3ccccc3)c2n1 13524563 DVFIYRYYIFQQHX-UHFFFAOYSA-N 436.342 7.071 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccc(F)cc2)cc1 13551467 FNUUFYIDPPKJOL-UKILVPOCSA-N 445.450 5.541 30 40 IKEB C=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C1\CCCCc2ccccc21 15980974 ZJPYTESVQOHINF-VABRKFJVSA-N 439.531 5.884 30 40 IKEB N#Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCN(Cc1ccccc1)C2 23153762 MQOKWMQUHBJIHM-UHFFFAOYSA-N 441.478 5.449 30 40 IKEB Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(NCc4cccnc4)o3)cccc2c1=O 36359877 YUHSYLPRQXPYTE-UHFFFAOYSA-N 434.455 5.302 30 40 IKEB Cc1ccc(/C(Cl)=C(\C=N/Nc2ccccc2)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 85408894 HINHWLVSYWRIKX-KOWMRQHOSA-N 441.878 5.852 30 40 IKEB FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F 95681657 WPAUSINXKWMLSW-UHFFFAOYSA-N 438.052 6.333 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 100852783 HYOUVEWJVPDQFE-YKRMCXMESA-N 449.638 5.736 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)o1 408632401 FNQLKAYOXPWJHL-ODLFYWEKSA-N 449.875 5.739 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408913348 QBYXIXJLFCBHBY-WHMJDIIHSA-N 441.509 5.020 30 40 IKEB O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=Nc2ccccc2)N1Cc1ccco1 409013298 MTZPLWUVPISYRG-YOIRLTMBSA-N 444.487 6.483 30 40 IKEB CC(C)(C)[C@@H]1C[C@@H](C(C)(C)C)[C@]2(C(=O)OC3=C(C2=O)[C@H](C(C)(C)C)C[C@@H]3C(C)(C)C)C1=O 409066072 VMDSRARXVSWQPD-XAEZOJFNSA-N 444.656 6.379 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccccc1F 409121556 XWXIKQBREGTADD-UHFFFAOYSA-N 439.958 7.106 30 40 IKEB Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 409167872 OWZUDNRNLRONGW-ZVHZXABRSA-N 440.524 5.682 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC(=O)O 409209589 GQVVAMQJHFBFSR-NCQSQGRDSA-N 440.565 5.383 30 40 IKEB N#Cc1c(/N=C\c2ccc(-c3ccccc3C(F)(F)F)o2)sc2c1C1CCN2CC1 409214498 XVEOUCBTSOXFQM-PPDIBHTLSA-N 427.451 6.347 30 40 IKEB N#CCn1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)c2ccccc21 409385208 GSEYEBUYYSASJY-VCOIRPETSA-N 449.539 5.364 30 40 IKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409385963 OYYPDFHPXMINSA-BRJLIKDPSA-N 442.968 6.145 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 2442033 XOHICBOFFLQNLQ-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB Cc1ccc2nc(-c3ccc(/N=C/c4c(C)c(Cl)c(C)c([N+](=O)[O-])c4O)cc3)oc2c1 3083476 BITUXZRIUWVXTP-OPEKNORGSA-N 435.867 6.438 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)nnc1-c1ccncc1 3304403 LUCGZBIRQNFUMC-UHFFFAOYSA-N 447.539 5.048 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)o2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4576313 YEWBUPCTTJGMFX-QMHKHESXSA-N 425.550 5.210 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 9264145 YFWSVQLVBLNGDU-AREMUKBSSA-N 449.381 7.174 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccccc1Cl 9313317 YLBHACCMDZAHFA-MHZLTWQESA-N 442.990 7.157 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4Cl)ccc3C1=O)cn2C 9421964 RKJRSYUEALDFKR-OPEKNORGSA-N 445.902 6.036 30 40 IKEB N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12540977 DUYUORAYVVRXKK-UHFFFAOYSA-N 430.558 5.372 30 40 IKEB CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC 14735625 GNMZSOCBCXXLHD-OAHLLOKOSA-N 430.460 5.271 30 40 IKEB CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3Cl)n2)cc1 16729037 UGEZGKGHFXYRKP-UHFFFAOYSA-N 448.897 6.983 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3cccc(Br)c3)C2=C(O)C1 25075837 XHRDLOUUSUROGU-LJQANCHMSA-N 428.370 6.263 30 40 IKEB CCOc1cc(C(=O)N2CCCS/C2=N\c2ccccc2)cc(OCC)c1OCC 33688860 BDZDJCNBXCZTMG-VHXPQNKSSA-N 428.554 5.150 30 40 IKEB CCCCCCCOc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 70698690 GZOLCLJYUZVNFN-NUKVQWKISA-N 446.635 6.371 30 40 IKEB biogenic CCCCCCCOC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc12 97952679 HPWNPMMWRNIURG-UHFFFAOYSA-N 430.552 5.846 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2Cl)/C1=C(\O)c1ccccc1 102861246 KTVQIUIZLKMUFG-NHFXJNLRSA-N 439.298 5.010 30 40 IKEB C#CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br 408556223 IKUDVELRTDWQJM-UHFFFAOYSA-N 429.539 5.489 30 40 IKEB Cc1c(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1C 408863438 RTGAXBLSSKVTED-YCVUHLAASA-N 443.616 6.669 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 408962228 RCSDZKOVFMXQNV-OEAKJJBVSA-N 431.561 5.611 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409020895 VJBNHHMWHNBWPL-FYHAJLKWSA-N 440.952 7.327 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409089719 JOSYUSAGNQSJKZ-YVLHZVERSA-N 442.273 6.056 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccc(Br)c1 409104920 LEJQWELBRSLCAP-KIBLKLHPSA-N 437.263 5.716 30 40 IKEB CCc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 409202316 RLPWHAIVYKDEJZ-OVVQPSECSA-N 429.541 6.229 30 40 IKEB C=CCn1cc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c2ccccc21 409284645 UGDJOPXVXAJHQA-UHFFFAOYSA-N 449.352 5.305 30 40 IKEB O=C(Oc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3)c1cccc(Cl)c1 1826540 YASOFPVHIKEZKM-LQKURTRISA-N 429.903 6.935 30 40 IKEB C#CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 2239960 AEGANYGNGZWYMP-LJQANCHMSA-N 434.605 5.134 30 40 IKEB biogenic N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCCN1CCCCCC1 2262197 CZWHBCNOCSJMCV-UHFFFAOYSA-N 448.035 6.909 30 40 IKEB Cc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccccc1 2413262 LLAAQIOQSCJUBY-OAQYLSRUSA-N 436.515 5.267 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 2424269 WMPAKOAVWWWSTJ-UHFFFAOYSA-N 439.563 5.622 30 40 IKEB C=C(C)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OCC)cc1 3298077 KYJULACEZMKUHU-UHFFFAOYSA-N 430.371 5.764 30 40 IKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3OCc3ccccc3Cl)cc2)cc1 3376113 GXADJVSKBHSDEY-UHFFFAOYSA-N 439.898 6.677 30 40 IKEB C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 9199500 QFOAKMHXJAKBRU-INIZCTEOSA-N 436.606 5.253 30 40 IKEB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccc(Cl)cc2)cc1 10119141 GIFQSKREYHWGKW-LQKURTRISA-N 445.906 6.104 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 12428789 RKAOJRQMZTWADG-YPXUMCKCSA-N 444.211 7.400 30 40 IKEB O=[N+]([O-])c1ccc(NN=C2CCCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12637066 DOXSEAGNLBJADR-UHFFFAOYSA-N 436.921 5.171 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c(OC)c1 13567879 JWFFSTHYICHSPV-INIZCTEOSA-N 445.437 5.250 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@]1(O)CCCc2ccccc21 13591451 NEWODRLGXDGQST-GDLZYMKVSA-N 448.591 6.603 30 40 IKEB COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 19535994 CYJHZDKJBSGMPD-DEOSSOPVSA-N 431.532 5.043 30 40 IKEB Cc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O 32114586 JMCHWXHMNFMQQX-XODNFHPESA-N 447.321 7.719 30 40 IKEB CCCCCCCC1=NN2C(=N)/C(=C\c3cc(Br)ccc3O)C(=O)N=C2S1 97958848 DRUBGDOYKQFQPZ-ZNNJIDPUSA-N 449.374 5.134 30 40 IKEB CCCCc1ccc(NC2=C/C(=N/S(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 100822128 JKFBAZQYICBKLL-COOPMVRXSA-N 444.556 5.400 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 408593447 POXLZZZSGPDOHF-KKMKTNMSSA-N 429.278 6.134 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(Cl)ccc4C)NC3=O)c2C)c1 408763773 UTHBUNKDFQUAHH-UUYOSTAYSA-N 435.980 6.256 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)S2)cc1 408782015 GHFGYNQKPHFZIQ-JLPGSUDCSA-N 443.616 6.592 30 40 IKEB COc1cccc(Oc2ccc(/N=C/c3ccc(Sc4ccc(Cl)cc4)cc3)cc2)c1 409070858 PDHWJLMKBYSRQA-MTDXEUNCSA-N 445.971 8.043 30 40 IKEB CCOC(=O)c1c(/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)sc2c1CCCC2 409092659 VMRVYTNNVJBYQF-ZMOGYAJESA-N 445.993 6.952 30 40 IKEB CCOc1ccccc1C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 409280947 CGRIALRXYWEPDA-UHFFFAOYSA-N 437.421 5.363 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OCC 409338609 MWUSERYDSZUMTK-UYRXBGFRSA-N 445.993 5.705 30 40 IKEB COc1cc(/C=N/c2ccc(Br)c(C)c2)ccc1OCc1ccc(C(=O)O)o1 409386348 SLAGGOVEGGKTDI-FOKLQQMPSA-N 444.281 5.387 30 40 IKEB CC[C@H](C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409404299 PEADCZMUSJXJIQ-KRWDZBQOSA-N 431.923 5.776 30 40 IKEB C=C(C)Cn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2252924 FGZZJNGRXDXLLI-UHFFFAOYSA-N 442.628 6.455 30 40 IKEB O=C1C[C@H](c2ccccc2)CC(Sc2ccccc2)=C1CS(=O)(=O)c1ccccc1 3048690 LATLKJNZKMSGOO-FQEVSTJZSA-N 434.582 5.653 30 40 IKEB Clc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1Cl 3113849 OFARFWZYKOJIGL-KIBLKLHPSA-N 436.125 7.859 30 40 IKEB Cc1ccc(-c2oc(NC(=O)[C@@H](C)Oc3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1 3307072 IWECEVKYRJSXQW-HXUWFJFHSA-N 436.511 6.508 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 3353610 IIPUGRXWMHIORJ-QGZVFWFLSA-N 444.556 5.058 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 5481207 UOCUEIOMIAYZNI-SWYXJYPRSA-N 428.613 5.468 30 40 IKEB biogenic,in-vitro CCC/N=C1\S/C(=N\N=C\c2ccccc2O)N(c2ccc(F)cc2)\C1=N\CCC 8399241 IKJDNYYQMRVVCM-FDRJWJLXSA-N 425.533 5.092 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 8838305 POIBZPPLXLSUFL-JOCHJYFZSA-N 440.524 5.696 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 9042855 BVALXJPFVYPUFN-JOCHJYFZSA-N 446.572 5.975 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)S2)cc1 9720923 YHMVZBXKXHSXDK-STZFKDTASA-N 432.549 5.088 30 40 IKEB COC(=O)[C@H](CP(C)(C)=O)C(/N=C(\C)C(F)(F)F)(c1ccccc1)c1ccccc1 18178440 AXKGADSQHBNSTG-JHKMYFMNSA-N 439.414 5.365 30 40 IKEB COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1ccco1 18219499 WAPNHCQFZGTYRX-LMKMVOKYSA-N 428.488 5.355 30 40 IKEB COc1ccc(CN/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC 20196413 NYVIOKCEEACFRB-JFLMPSFJSA-N 440.927 5.069 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 43721503 FVWJYYTZTCVBKE-PYKACDHASA-N 442.728 6.997 30 40 IKEB in-man CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N\c1ccccc1 101438408 ORBYSQOCJBEZHN-PIDRKRQWSA-N 446.547 6.419 30 40 IKEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCc1ccc(F)cc1 136048286 QRJBCIDGWWQNKY-YEWWOHFJSA-N 440.521 5.288 30 40 IKEB C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl 408571274 ODTPOOHWAUPZAY-LJQANCHMSA-N 448.907 5.043 30 40 IKEB Cc1cccc(COc2c(Cl)cc(/C=N/OCc3ccccc3C#N)cc2Cl)c1 408590153 GIDIKFUGTWEYJP-UVHMKAGCSA-N 425.315 6.303 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408761438 FHZADNUHSHIVBT-MOSHPQCFSA-N 434.904 5.451 30 40 IKEB Cc1ccc(COc2ccc3ccccc3c2/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408932789 FAFYXMJSKZGLRP-UHBFCERESA-N 434.461 7.192 30 40 IKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Cl)ccc1O 409278585 GECAGYWEPDCBIC-UHFFFAOYSA-N 443.812 5.324 30 40 IKEB C#CCn1c(S(=O)(=O)Cc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 1392069 GQOMALJFAKJXAC-UHFFFAOYSA-N 426.541 5.133 30 40 IKEB aggregator N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1Cl 3176800 GIMPXNKAJBQLLQ-USZFVNFHSA-N 435.914 5.750 30 40 IKEB Cc1ccccc1-c1nc2cc(/N=C/c3c(C)c(Cl)c(C)c([N+](=O)[O-])c3O)ccc2o1 3211234 LVMBLVFSRCRNOL-OPEKNORGSA-N 435.867 6.438 30 40 IKEB COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\N=C2/C=C(C)CC(C)(C)C2)N=C1O 8385295 ZYRJTFHKLASHHY-YSGZUTGPSA-N 448.976 5.227 30 40 IKEB O=C(Nc1ccc(F)cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 8693946 FHLVPAUKSIYTGV-UHFFFAOYSA-N 426.288 5.352 30 40 IKEB O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 12961449 QCNGOEYXOVVEBX-FRKPEAEDSA-N 448.927 6.157 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc2ccccc2o1 15018912 DKFCSSWRSRFWLQ-UHFFFAOYSA-N 442.903 5.401 30 40 IKEB CCN(CC)c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nc2ccc(Cl)cc23)cc1 16678186 IVUSWFTYJSVAHB-PNHLSOANSA-N 427.939 5.923 30 40 IKEB O=C(O)COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1 17100384 MRYAVTGIDHXNGI-LPCFMYKTSA-N 436.533 5.087 30 40 IKEB FC(F)(F)c1nc(N/N=C/c2ccc(Br)cc2)sc1-c1ccccn1 21965603 NSNZQSIXRUSHEL-LSFURLLWSA-N 427.249 5.432 30 40 IKEB Clc1ccc(-c2csc(N/N=C\c3ccccc3I)n2)cc1 31854517 FITZKZSTEJSYAX-OCKHKDLRSA-N 439.709 5.514 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2ccccc2)cc1 59475147 JMBGMKHAXTZQKD-WGOQTCKBSA-N 448.389 7.076 30 40 IKEB CCCCCCCCCSc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 97952665 WDPUBMCNEZYIGK-UHFFFAOYSA-N 443.682 7.242 30 40 IKEB CCCC1=NN(c2nc3ccccc3s2)C(=O)[C@@H]1/C(C)=N/c1ccc(C(=O)OCC)cc1 97969686 FWMNUXWEMLYVRS-JAMLUQCHSA-N 448.548 5.385 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)S2)c(C)c1 408721048 JBZVBPRRNVFRPQ-UUYOSTAYSA-N 447.516 5.980 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)S1 408783998 PGCMKLIFORPRNS-HMAPJEAMSA-N 444.512 5.164 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3)c2C)ccc1I 408785609 ABDLWDNJFCRIHR-FMCGGJTJSA-N 448.735 6.411 30 40 IKEB CCOc1cc(C2C3=C(CCCC3=O)N(Cc3ccccc3)C3=C2C(=O)CCC3)ccc1O 408895809 ISIGJMUTHLQORP-UHFFFAOYSA-N 443.543 5.405 30 40 IKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N([C@H](C)c2ccccc2)C1=O 408906461 BQLFIWXXSIPCBS-STWUOGDHSA-N 428.557 6.451 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)ccc1O 408907582 NVTGDYNVWRAXJW-NYOLZVMQSA-N 430.529 5.766 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N2C)cc1 408909948 JAKBRWRZIZHYQG-GRUKXCDCSA-N 433.489 5.705 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC 408943444 SEZAGBIDIJUIIV-XOQBKMFYSA-N 448.566 6.593 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)sc2c1CCCC2 409065437 SFSFEZWSROGQRS-JFLMPSFJSA-N 441.637 6.855 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409201861 OGINCHNJUJAKCX-FSJBWODESA-N 441.827 6.016 30 40 IKEB Cc1cccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 409215458 ZGEWBECNGFMRNR-KKMKTNMSSA-N 448.828 7.427 30 40 IKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(/C)c4ccc([N+](=O)[O-])cc4)c3c2C1 6462304 UNCNVXBRFJEQID-IMVGLAPISA-N 437.569 5.977 30 40 IKEB O=C(/C=C/c1ccnn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 8857068 XGFYJBGRDYSNLL-DUXPYHPUSA-N 446.643 6.142 30 40 IKEB C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccc(F)cc1 8862443 QYHNBFMIHUDJOD-UHFFFAOYSA-N 427.892 5.266 30 40 IKEB CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C(C)=N/c1cc(Cl)ccc1O 9334928 NTXURDMOSSRYGX-FSJBWODESA-N 426.929 5.640 30 40 IKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2cccc(O)c2)C12CCC(C(C)(C)C)CC2 9369234 HGLHBUHWPWIMCS-UHFFFAOYSA-N 435.637 6.409 30 40 IKEB N#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 9892608 IOTOIZHVAMYJOC-GRSHGNNSSA-N 438.270 5.218 30 40 IKEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1cc(Cl)ccc1Cl 12275755 KRUWIPOGLWUNPA-XIEYBQDHSA-N 444.347 5.616 30 40 IKEB COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1 12758468 LCRZPVZAWGOBSF-JXMROGBWSA-N 436.533 5.358 30 40 IKEB C(=N\OCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1)\c1ccccc1 13645001 MPRFJERJJOVHRU-MWLSYYOVSA-N 445.482 5.755 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2 18041876 RATJMDPSPXRKRM-XMMPIXPASA-N 430.548 5.246 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cc(F)ccc1F 21722706 SALLTGFYYHQWOM-RUZDIDTESA-N 449.457 5.177 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1Cl 28250817 AISYSBPSUGQEII-UHFFFAOYSA-N 448.773 5.522 30 40 IKEB O=C(CO/N=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)Nc1ccccc1 34688112 QEESGWYVRZWMNV-NTFVMDSBSA-N 444.918 6.061 30 40 IKEB CCOc1ccc([C@@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)cc1OC 108945867 LZKOABRHWOOWAD-GOSISDBHSA-N 443.587 6.776 30 40 IKEB CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1Cl 408900713 ZZALPKBDJRXWSW-UHFFFAOYSA-N 441.999 6.054 30 40 IKEB O=C1/C(=C\c2ccc(Br)o2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408906988 FRDSEZQMXMSXHH-CEOOYPSPSA-N 439.334 5.846 30 40 IKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408913155 SUKVJJLHXXADLZ-OCSSWDANSA-N 449.510 5.994 30 40 IKEB C=CCOc1c(Br)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OCC 409011753 IJQYVEWUPPPKEW-JASJWYONSA-N 440.359 5.247 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N/c1ccc(Cl)cc1 409082793 NGQWVQDAKMZTMW-HCNWTGQWSA-N 425.941 5.502 30 40 IKEB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=NC(=O)c2ccc(Cl)cc2)NC1=O 409140749 SEQVSIBWMWZYTN-AUWJEWJLSA-N 441.723 5.056 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1 409314856 STZUXWDFCHICTC-INIZCTEOSA-N 449.352 5.345 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](CCC)O[C@@H]1c1ccccc1OCC(=O)O 2037873698 IAXTYQOTOJRWNF-NTNMUZRVSA-N 428.956 6.410 30 40 IKEB CCCCCCCCCn1c(NCc2cc(Cl)cc(Cl)c2O)nc2ccccc21 1830781 KWARLTBCZKNLEF-UHFFFAOYSA-N 434.411 7.411 30 40 IKEB CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 2096562 XTIVEQPQNORNQN-MYKKPKGFSA-N 428.440 5.374 30 40 IKEB biogenic Cc1ccc([N+](=O)[O-])cc1/N=C\c1ccccc1OC(=O)c1ccccc1Br 3218530 KFGNSYBWPPZZME-QRVIBDJDSA-N 439.265 5.636 30 40 IKEB CC(C)(C)c1cc(Sc2c(Cl)c(Cl)nc(C#N)c2Cl)cc(C(C)(C)C)c1O 3771002 RSEHBHCBBAOBOB-UHFFFAOYSA-N 443.827 7.365 30 40 IKEB CCN(CC)c1ccc2c(NCc3ccccc3)c(/C=N/c3ccccc3)c(=O)oc2c1 4859572 ZQVKAICQYCLGIO-TURZUDJPSA-N 425.532 6.002 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)o1 8836262 MBAWOVYVMBPVCE-LJQANCHMSA-N 434.448 5.120 30 40 IKEB N#CC1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]21 9272252 QKQMMWKKUAROFK-DSNGMDLFSA-N 435.914 5.624 30 40 IKEB CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 9379648 NRXWTULIFTWMEG-LPKHAAKTSA-N 431.561 5.483 30 40 IKEB CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 9553800 DLXSERYFGGKXCL-RUZDIDTESA-N 426.472 5.037 30 40 IKEB N#Cc1c(SCc2c(Cl)cccc2Cl)nc(-c2cccs2)c2c1CCCC2 9554232 IYLUTEVDAOXVTP-UHFFFAOYSA-N 431.413 7.160 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1C1CCCCC1 9983864 NTCQMMWQONEJEG-UHFFFAOYSA-N 435.391 5.005 30 40 IKEB CC(C)(C)c1ccc(CSc2nc(-c3ccccc3)cn2/N=C/c2cccs2)cc1 12652586 CSIBOFGKHVQOOA-WGOQTCKBSA-N 431.630 7.084 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(CC)C1=O 35669284 PLPFLJWNBBNALR-JUMVDPBBSA-N 446.528 5.561 30 40 IKEB COc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(C)c(C)c4)NC3=O)o2)c([N+](=O)[O-])c1 59223866 CXXWTMGQLBTFBX-CIAFOILYSA-N 449.488 5.372 30 40 IKEB CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccccc1 100228549 MDAUVOHWZSTIOZ-MTDXEUNCSA-N 441.531 5.213 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=O)Oc1cc(C)ccc1C(C)C 100309166 CTLGDQAWJVCBOT-UHFFFAOYSA-N 445.732 9.468 30 40 IKEB CC(C)(C)c1ccc([C@@H]2C3=C(Sc4[nH]c(=O)sc42)C(=O)c2ccccc2C3=O)cc1 101025169 FFSDNYSWXLILFJ-MRXNPFEDSA-N 433.554 5.305 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 102860209 LSMHGTKATUANNY-ZHHPLPSFSA-N 429.516 5.507 30 40 IKEB CCCCOC(=O)C(=O)[C@H](C[C@@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C 102977268 ICLAEGNEUPSKPX-DNQXCXABSA-N 448.559 5.036 30 40 IKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C#N 225767032 NKEGSHXHPATJER-UHFFFAOYSA-N 431.363 6.494 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC(C)C 408860145 WGOHCQVGXRXVQC-NHDPSOOVSA-N 444.984 5.974 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC 409005980 HVLFJRINUQTGHO-HKWRFOASSA-N 443.952 5.583 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 409068422 AMQWRTQCJZSEMU-LGJNPRDNSA-N 430.430 6.030 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(Cl)cc1 409118325 PAJVQNQNGIJQMT-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OC 409201836 OIALTRHRUVJUMO-VBKFSLOCSA-N 440.359 5.249 30 40 IKEB C=C(C)Cn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1831414 IJNUEJIBNAPDNG-UHFFFAOYSA-N 442.628 6.189 30 40 IKEB biogenic COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccc(C)cc1 2267406 CPPNJCAOVMBKSV-LYAXJZIPSA-N 437.564 7.403 30 40 IKEB C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 2409910 DRGDHCDGFVDNHZ-OAQYLSRUSA-N 444.512 5.181 30 40 IKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccco1 2412395 VNFRNYSCNRUFTP-UHFFFAOYSA-N 429.524 5.215 30 40 IKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 3066593 FLLYMRITOFJGNC-FOKLQQMPSA-N 443.753 6.835 30 40 IKEB Clc1ccccc1/C=N\c1ccc(Oc2ccc(/N=C/c3ccccc3Cl)cc2)cc1 4480605 ALDSXUXLVATGJO-QCOHSWCKSA-N 445.349 8.287 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3o2)c1 8427381 HVDXBBFNUACQBW-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9329989 DKCUPIRPNJGSAE-JOCHJYFZSA-N 435.907 5.835 30 40 IKEB CC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccc(C(C)C)cc1 12603344 SQIYLTXNKBJZOZ-FRSXJTSWSA-N 428.399 5.905 30 40 IKEB COc1cc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 14671913 BHQXVHWVJNSIQO-HHHXNRCGSA-N 443.568 6.540 30 40 IKEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)c1c([nH]n(-c3ccccc3)c1=O)N2 18195708 BTSCACKNJHAWSW-KRWDZBQOSA-N 426.303 5.037 30 40 IKEB COc1ccc(CN/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC 20196442 HQCQORDHSBQVHW-JFLMPSFJSA-N 440.927 5.069 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cccc(Cl)c1 20503311 GVCOSNNIEQJSJB-RUZDIDTESA-N 447.922 5.552 30 40 IKEB COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(Cl)c(Cl)c1 78549521 FEEPHGRPKJSATG-INIZCTEOSA-N 443.334 5.051 30 40 IKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Br)cc1 102799926 DAAUOTKSHYACPX-YDJIHCHBSA-N 442.353 5.451 30 40 IKEB CCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCC 104205401 FZAQLVLWOHGPEA-UHFFFAOYSA-N 426.818 8.201 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)SC1=Nc1ccccc1 260567959 MZGRQHQDTHPBJA-VYYDMKJGSA-N 445.632 6.641 30 40 IKEB C#CCOc1c(/C=N/c2sc3c(c2C#N)CCCC3)cc(Br)cc1OC 408813881 FUIARMONFHUKBA-FSJBWODESA-N 429.339 5.032 30 40 IKEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O 408857266 NLYAPLIFVFBOQT-NFNJRCMKSA-N 429.589 6.659 30 40 IKEB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c2C)cc1 408966227 NVZKTJYHPWQQGV-LFVJCYFKSA-N 447.579 6.467 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 409036077 RHKGGLUIAHPDLA-HCGXMYGOSA-N 433.121 5.423 30 40 IKEB CC(C)OC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(C)C3=O)o2)c1 409161845 BGNWXSXLKFYVJY-ZBNITPKASA-N 446.528 5.746 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OCC)cc1 409209391 FBYGSTJVDQRUIM-CIAFOILYSA-N 437.131 5.373 30 40 IKEB CC(C)Oc1ccc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 409279863 AADAIYJPNLFCKJ-UHFFFAOYSA-N 442.357 5.126 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(C(=O)O)ccc1OCC(C)C 585263921 GZLWVWCGNYAQFY-JBLZDJPZSA-N 442.983 6.899 30 40 IKEB Cc1cc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2csc(-c3ccccc3)n2)cc1C 945293 NFMZZNWEHXESRO-FTJBHMTQSA-N 441.552 6.329 30 40 IKEB COc1ccc2cc(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)nc2c1 1354744 RDRZPMDDEXRUKL-UHFFFAOYSA-N 425.513 5.572 30 40 IKEB C=CCSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1Cl 2181044 GGBTUGCPINYJSP-UHFFFAOYSA-N 445.396 6.699 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 8766002 VKEMWJUEVIFQFS-YVLHZVERSA-N 433.291 6.284 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 8904900 POIBZPPLXLSUFL-QFIPXVFZSA-N 440.524 5.696 30 40 IKEB COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(C)=O 9264314 GHIOUXPTYCHIBO-QLXKLKPCSA-N 428.488 5.209 30 40 IKEB C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 9349399 QJGOFWLMWVJTPL-UHFFFAOYSA-N 445.013 5.167 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)c2ccccc21 9421038 IEACCSJHDIMJHM-AFUMVMLFSA-N 439.467 5.505 30 40 IKEB Cc1ccc(-c2csc(NC(=O)C[n+]3cc(-c4ccc(Cl)cc4)n4c3CCC4)n2)cc1 17248010 BJBLLKWZKWDBNP-UHFFFAOYSA-O 449.987 5.113 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(C)cc1 19827928 PKAPHACYLSPAAN-YADARESESA-N 435.951 5.573 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC)c3OCc3ccccc3)S2)cc1 408897453 SENHHXUMSVDOOK-JCMHNJIXSA-N 446.528 5.174 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)ccc1OCC#N 408908372 RQGXGESUNXTDCO-GCXIQGEKSA-N 435.549 5.228 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409064778 FLOWYUPGYAPTTQ-WOJGMQOQSA-N 433.888 5.289 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1cccc(F)c1 409219588 RUKCNGBPMKKDQJ-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)c2C)nc1 409231731 LVXKUCFBRHCCNP-RGVLZGJSSA-N 436.968 5.651 30 40 IKEB COc1cccc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)c1 409307061 QWAMUJAHNVKCCC-UHFFFAOYSA-N 441.531 5.395 30 40 IKEB COc1cccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)c1OC 409359385 OCIWMTLCUPLBKZ-OCSSWDANSA-N 436.511 6.870 30 40 IKEB C=CCN(CC=C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 627276203 CAOYGDWUYBQIDA-UHFFFAOYSA-N 443.247 5.789 30 40 IKEB Cc1cc(C)nc(NC(=Nc2ccccc2C)NC(=O)Nc2ccc(Cl)c(Cl)c2)n1 2267025 OVZQPZXYUJYFEX-UHFFFAOYSA-N 443.338 5.630 30 40 IKEB Cc1ccc(CCSc2ccc(C(C)(C)C)cc2)c[n+]1CC(=O)c1ccc([N+](=O)[O-])cc1 3668289 NRSKEJPROSDOQS-UHFFFAOYSA-N 449.596 5.706 30 40 IKEB O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccc(F)cc1 9110000 WPOXPGJSMHNBDH-FQEVSTJZSA-N 441.380 5.627 30 40 IKEB Cc1sc2nc(SCC(=O)[C@@H](C#N)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C 9164937 YIPKUUCMKLNCEH-IBGZPJMESA-N 445.569 5.033 30 40 IKEB Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9421952 OVYJDMMALFZLBV-KHSOTRJGSA-N 435.479 5.722 30 40 IKEB Brc1ccc(-c2csc(NN=C(c3ccccc3)c3ccccc3)n2)cc1 13302868 COTJFVYEFRVGEW-UHFFFAOYSA-N 434.362 6.437 30 40 IKEB N#C[C@@H](N=C(c1ccccc1)c1ccccc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 16451213 LVIHSCNQUPCKOS-IAPPQJPRSA-N 435.958 6.923 30 40 IKEB Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCCC1 16480940 CJMCTRQXBWVBAV-YZSQISJMSA-N 435.365 6.096 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3nc4ccccc4n32)cc1 17099615 ITRPBVPFKBZSGH-DCFHFQCYSA-N 435.527 5.769 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)c1 18255032 CBSRRWYSANEKAR-PDGQHHTCSA-N 426.950 6.284 30 40 IKEB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1/N=C/c1ccccc1 20412947 ZTITUMAIGNCSEU-VTLDLIPLSA-N 435.486 5.090 30 40 IKEB CC(C)Oc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 21548866 LOUFPBQVJNQDLB-QNGOZBTKSA-N 428.444 5.947 30 40 IKEB Cc1cccc(N2N=C(/C(O)=N/c3nnc(-c4ccc(C(C)C)cc4)s3)CCC2=O)c1 24092801 IAOWWRNFZXULQO-UHFFFAOYSA-N 433.537 5.408 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 59459250 CSJZAHFCBSKOJE-LUOAPIJWSA-N 440.248 7.047 30 40 IKEB COc1ccc(/C=N\Nc2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 96346758 WTOBUACFJMTSPD-QQXSKIMKSA-N 442.544 5.825 30 40 IKEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226340542 WYBCGBYUVXBJBP-UHFFFAOYSA-N 431.713 6.178 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 253612159 AXNNSHMUJUSTKY-QCTMDSAESA-N 434.620 5.744 30 40 IKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 408738797 OWTWDXXGFVHNIC-SSDVNMTOSA-N 432.705 6.169 30 40 IKEB Cc1sc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c(C#N)c1C 408903414 XKIIBQYMYSGNNQ-RGVLZGJSSA-N 449.626 6.050 30 40 IKEB Cc1cc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc([N+](=O)[O-])c1C 408952825 VYKCUQFFTNUCMT-MYKKPKGFSA-N 425.872 5.721 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(Cl)cc1 409114335 HCQHXQWRQRHTRL-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 409200668 JMBBHZODBSKSCN-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1ccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1Cl 409210610 LSRKELZXXGTAEE-FDAWAROLSA-N 435.954 8.284 30 40 IKEB CC(C)/N=C1\S/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)N1C(C)C 409216150 FRMJHGHRBGLOSR-FTIPTLOASA-N 432.387 5.329 30 40 IKEB O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)Sc2ccccc21 409315666 KEZFOEAPDYHFRK-CIAFOILYSA-N 441.321 6.497 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OC 409333585 UNNMAFWOFOGOPI-KGENOOAVSA-N 439.602 5.845 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl 2795857 CGOHDXAYDRPWCW-HXUWFJFHSA-N 436.379 5.941 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 3244957 DSERIKSIZMCJCM-MHZLTWQESA-N 449.531 6.490 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCC3 3267514 ZSTFECXNXDJWGP-UHFFFAOYSA-N 438.618 5.405 30 40 IKEB CCNc1c(/N=C(\O)c2cc(OCC)c(OCC)c(OCC)c2)c(=O)oc2ccccc12 8594556 PFLIWBDMIAGMRO-UHFFFAOYSA-N 440.496 5.057 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c(C)c1 8821002 WHWBAPFMDNNXTK-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)c4cccs4)c3C)C1=O)cn2C 8993319 PNMFHKOIQLOJIB-SRZZPIQSSA-N 445.496 5.392 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1ccc(F)c(C)c1 14922437 XBEKWRSLVQAXRD-LQKURTRISA-N 435.955 7.414 30 40 IKEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccsc1 16034417 ISXHHSLHOQHZBA-YTFSRNRJSA-N 441.943 5.686 30 40 IKEB Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2C)c(C)c1 16284699 WWKCWJDSPSBYRA-VMCVTNGESA-N 429.563 7.950 30 40 IKEB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2 17180846 OWJNNMGFSZEVIL-UCFCWBNQSA-N 444.039 5.826 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(O)c(O)c1 20120568 CRBBYRIUVXOXPE-UHFFFAOYSA-N 438.508 5.673 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SCCN1CCOCC1 20814256 GNONEPDKKDHPSG-UHFFFAOYSA-N 442.009 5.426 30 40 IKEB CCCC/N=C1\S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N1CCCC 35041957 KAYHXJOIFNTLKB-KWPJTZOTSA-N 436.621 6.447 30 40 IKEB C=CCOc1ccccc1[C@@H]1Nc2c(C(=O)O)cc(Br)cc2[C@@H]2C=CC[C@@H]21 58928837 GKOYOXWXXQLMHN-QEEYODRMSA-N 426.310 5.539 30 40 IKEB CC(=O)OC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 59428056 XOBSPUSJSCBDDR-OAQYLSRUSA-N 442.471 5.112 30 40 IKEB C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H]1C(=O)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C 95913937 DVVFWIFZKRQOJA-YNGDVNFKSA-N 444.700 6.319 30 40 IKEB biogenic,in-vitro CCCCCCCC1=NN2C(=N)/C(=C/c3cc(Br)ccc3O)C(=O)N=C2S1 97966218 DRUBGDOYKQFQPZ-YMGOLSLPSA-N 449.374 5.134 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(C[C@@H]2CCCO2)C1=O 100327325 SYSLHZGKUNLUIS-BJBYTUNWSA-N 442.968 5.522 30 40 IKEB CS/C(=N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1)OC1CCCCC1 100551149 IVZPEVUYSBJYES-MDNZCRNZSA-N 430.595 5.199 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)no1 102727304 JEOOHVQHZYKLPK-NHFXJNLRSA-N 434.835 5.009 30 40 IKEB CCOc1ccc(Br)c(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1O 257345415 SRBMJRDAERVICJ-UHFFFAOYSA-N 437.293 6.112 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)[C@]1(C)CCC(=O)O 257534103 RPPYCVULPFKBOG-RIACBYMDSA-N 440.712 8.285 30 40 IKEB biogenic O=C(O)c1ccc(Cn2cc(/C=N/c3ccc(Oc4ccccc4)cc3)c3ccccc32)o1 408542523 MALQXLFNJIZZJM-LQKURTRISA-N 436.467 6.524 30 40 IKEB COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1ccccc1 408868275 PHAFJUVQPCCDSF-HMAPJEAMSA-N 434.492 5.305 30 40 IKEB C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408934352 AHINBUXXTHOLGT-DDEBHVINSA-N 438.958 6.929 30 40 IKEB C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408945999 XWATYTIRQAQUED-UBAGDLADSA-N 440.974 7.482 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)c1C 408959779 FSWJNXKBCOVFHM-HRCCQFLKSA-N 443.616 6.589 30 40 IKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(O)c(Cl)c2)C2=C1CC(C)(C)CC2=O 409036416 RHBKQZSKXJHTBK-UHFFFAOYSA-N 448.390 6.014 30 40 IKEB COc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2Br)cc1OC 409057340 KPKVMUQLMAERLO-BQYQJAHWSA-N 441.119 5.037 30 40 IKEB O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Br)cc1 409094621 DXMLTTUVVUVBQK-BUHFOSPRSA-N 428.713 6.703 30 40 IKEB COc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 409209864 GLTPKNUSLRPZFV-RWPZCVJISA-N 436.338 7.485 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1C(C)C 409216772 LKXLQQIMGGRLEL-POHNCSCLSA-N 431.026 6.580 30 40 IKEB Cn1cc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)c2ccccc21 585295148 NCSGTYHJDUWFQK-QFIPXVFZSA-N 428.565 5.372 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(=O)OCc1ccccc1)[C@H]2c1ccc(Cl)cc1 664336 WSDGGKBASRLSBF-FQEVSTJZSA-N 437.923 5.011 30 40 IKEB COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)c1 1080679 QNYKKNYGBJWNJR-DEOSSOPVSA-N 425.488 5.225 30 40 IKEB N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1SCCc1ccccc1 1806636 QMJYBINVEDJZAY-UHFFFAOYSA-N 426.972 7.275 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC 2028948 DHDNVEIAQQZEBC-HSZRJFAPSA-N 425.569 5.423 30 40 IKEB CCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ccc(O)cc13)O2 2049078 ROWVTODRWLDREG-GDLZYMKVSA-N 442.603 7.495 30 40 IKEB Cc1ccc(-n2s/c(=N\C(=N\c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 2207948 MMPMPNYEMKILJC-PXMCFFCXSA-N 446.579 6.588 30 40 IKEB COc1ccc(-c2oc(NC(=O)c3ccc(C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 3277128 VJEAXEVRTVZQCK-UHFFFAOYSA-N 438.483 6.063 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 3321245 GVDGAKYWOYJUHJ-ZMOGYAJESA-N 426.856 5.387 30 40 IKEB C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 8897813 XJRNJVPPRHJVJP-NRFANRHFSA-N 446.528 5.108 30 40 IKEB Cc1nn(Cc2ccccc2)c(C)c1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 9345768 RQLSIHPOOCHSIE-XODNFHPESA-N 438.560 5.666 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 9632938 ADUQFDXVSNNGNN-UHFFFAOYSA-N 447.903 5.030 30 40 IKEB Cc1ccc(/C=N/c2cccc3c2C(=O)c2cccc(/C=N/c4ccc(C)cc4)c2C3=O)cc1 12562080 WXVMZGUFLBWDFA-VMFUUAOBSA-N 442.518 6.580 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-c2ccccc2)cc1 12563831 YLRDWQFHZSNJRS-ISLYRVAYSA-N 432.548 7.164 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1ccc(F)cc1 12652075 XHIRCSMLJUGCJY-XMMPIXPASA-N 446.547 6.344 30 40 IKEB COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)ccc1OC(C)C 13568611 LEZOUGGFQGMRHJ-IEBWSBKVSA-N 439.939 5.140 30 40 IKEB C[C@H]1CN(c2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)o2)C[C@@H](C)O1 17247409 WWXYEDMQPPLPMT-QKPQDPNESA-N 433.533 5.626 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@@H]3c2ccccc2Cl)cc1OC 18199315 FGWIEEWJNLXGFK-CMJOXMDJSA-N 449.938 5.347 30 40 IKEB COC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C#N)c1C 19632704 ARSUBMNVHXSWRV-VQHVLOKHSA-N 440.908 5.589 30 40 IKEB S=C1N(c2ccccc2Cl)/C(=N/C2CCCCC2)[C@@H](N2CCCC2)C12CCCCC2 33435866 MYJVFHLCZRGACJ-ZGPNMMCTSA-N 444.088 6.634 30 40 IKEB CCOc1ccc(CC(NCc2ccccc2)=C2C(=O)CC(C)(C)CC2=O)cc1OCC 100147596 CTVWWTQPDUJIAH-UHFFFAOYSA-N 435.564 5.029 30 40 IKEB CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O 100982682 ZKBHILFELSRYMU-JOCHJYFZSA-N 430.589 5.006 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 101069917 XPVJOZGNWYXKME-MRJHHRETSA-N 448.316 5.384 30 40 IKEB C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 219819940 QDQFMOKJKFTAAN-UHFFFAOYSA-N 444.354 5.049 30 40 IKEB Cc1oc(/N=C/c2cc(C)n(-c3ccccc3I)c2C)c(C#N)c1C 408586043 AYARFNXKZCGMLT-FOKLQQMPSA-N 443.288 5.531 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408723252 SCALEWXUFGGDSV-CVKSISIWSA-N 447.947 7.352 30 40 IKEB CC(C)N1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)S/C1=N\c1ccccc1 408909469 UMGLKVTVOXVXGM-DOGKOTLKSA-N 446.547 6.417 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccc(C)cc1 408915597 YVFDDIPQSQAKAO-UESVEAJBSA-N 445.382 5.866 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1C 409042928 LPLYWXNIEIALDF-JAHAZDFLSA-N 440.319 5.025 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1Cl 409213254 TZLZYCQODAEOHG-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C#N)cc3)c2C)S/C1=N/c1ccc(F)cc1 409238984 YBIWJVSBKCCVPI-GFIOTEIZSA-N 444.535 5.729 30 40 IKEB Cc1ccc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)s1 409336893 VIKDQEBWCSCFRM-UHFFFAOYSA-N 430.371 5.459 30 40 IKEB COc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1OC 1435666 QTLXDSGYAZDZFM-ZVHZXABRSA-N 440.293 5.436 30 40 IKEB C=CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S 2848057 BNQCOUHNXZVGDO-HKWRFOASSA-N 445.993 5.575 30 40 IKEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 9215960 RECKHXSVEFITCK-MTJSOVHGSA-N 425.267 6.137 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OC(=O)c1ccccc1 9296664 RYESILVHBIXAHY-CJLVFECKSA-N 444.512 5.196 30 40 IKEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCC1 9301798 FSLAVQGJZYEXIY-SVPNHEPISA-N 427.629 6.150 30 40 IKEB biogenic Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 9370734 XXNYPZYFQKYNGI-GQAFRRMJSA-N 440.455 5.086 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@@H]2c1ccccc1 10343847 STYSSPCPHAIVNH-HHHXNRCGSA-N 443.591 5.316 30 40 IKEB COc1ccc(-n2c(SCC(=O)N(CCC#N)c3ccccc3)nc3ccccc32)cc1 12618678 ABJWATXAIAYGDG-UHFFFAOYSA-N 442.544 5.073 30 40 IKEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 13553101 LCVWCEXMHQBBOT-YVNNLAQVSA-N 448.858 5.350 30 40 IKEB Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)nc2c1 13894432 IWJHKJYWUXLXEK-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB COCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(OC)cc1 15227171 CFFJQCHIQBJBOM-GTZNUUOLSA-N 449.576 5.481 30 40 IKEB Cc1cccc(/N=C2\C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)c1C 16349946 SMTBYDUUOASGDS-HYOGKJQXSA-N 437.587 5.683 30 40 IKEB Cc1ccccc1NC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2c1N 19900753 RJOPKBVOZPWSCU-UHFFFAOYSA-N 441.560 5.684 30 40 IKEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1 83316767 XKSOHNPALMLYTR-MTJSOVHGSA-N 433.489 5.232 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 97967027 VZSYPWDRMWQWJW-XLNRJJMWSA-N 443.012 6.971 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 100212047 KSUZQKLIZPJSHD-ZMOGYAJESA-N 425.872 5.583 30 40 IKEB COc1c2c(cc3c1[C@H](CC(/C=C\[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 100747028 SVSPODGIYWQUSW-PBJVGBMOSA-N 426.557 5.112 30 40 IKEB biogenic CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 102925308 YZYOGDQIWSWHSP-JBCNATCCSA-N 448.544 5.093 30 40 IKEB C=CC/N=c1/scc(-c2cc3ccccc3o2)n1/N=C/c1ccccc1Br 103371501 RHSOHCDNYVXGMU-BXWSFNFDSA-N 438.350 5.694 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 118916311 YGBQOUNQDOEMKJ-RIVJUHDBSA-N 445.430 6.880 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C/C(=N/O)[C@]4(C)[C@@H]([C@H](C)OC(C)=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118922812 LVLQUIZWMULUMY-SGRVVIFSSA-N 447.616 5.359 30 40 IKEB CCCc1ccc(-c2cc(F)c(COc3c(F)c(F)c(F)c(F)c3F)c(F)c2)cc1 205435020 MDUMQSDWDVDAPU-UHFFFAOYSA-N 428.347 6.859 30 40 IKEB COc1cc(/C=N\c2cccc(C)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408542043 JMYGFMACRJKXRA-CEUNXORHSA-N 442.559 5.959 30 40 IKEB CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c2ccccc21 408820506 YDVYFSIXVOYACZ-XKZIYDEJSA-N 447.560 5.021 30 40 IKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)S1 408873396 QMSVDHGHJUBJJQ-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cc1OC 408915020 WORHEVBXSLSEOA-OBUXZSPNSA-N 438.593 6.197 30 40 IKEB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)SC1=S 409006814 LXYFYVOVLZYONX-ZDLGFXPLSA-N 444.965 5.020 30 40 IKEB CSc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 676275 HZTRSTRWVNEPOR-DEOSSOPVSA-N 446.616 5.960 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2 4065505 WPJSWEYGXJTELH-CPJLOUKISA-N 435.354 6.973 30 40 IKEB O=C1C(=C2C=Cc3ccc(O)cc3N2)C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 4235738 SHBUQNAROCIZOM-UHFFFAOYSA-N 427.070 5.778 30 40 IKEB biogenic Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)c(C)c1 8820815 WRRFGWVXUICKMB-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl 8986406 VQYYGXZPSUHTPV-XMMPIXPASA-N 443.374 6.691 30 40 IKEB C=CCn1c(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)nnc1-c1ccoc1C 9635107 VXVFMSYEZNECAE-UHFFFAOYSA-N 427.529 5.579 30 40 IKEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OC(=O)C(C)C 13564286 JNKPNWBBZNEBSZ-VWLOTQADSA-N 441.527 5.974 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1O 16525121 FZRDBOOARUPTAQ-AUEPDCJTSA-N 427.247 5.901 30 40 IKEB C(=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)\c1ccccc1 16671652 NJYHHTCFAHCIPJ-YKOFJRSYSA-N 428.579 7.315 30 40 IKEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(C)c1Cl 17097322 NNWZUHOTXBARCV-OAHLLOKOSA-N 431.001 6.059 30 40 IKEB Cc1ccc2c(c1)N[C@@H](c1cccc(/N=C\c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2 17126005 ZXGVFQHHLQGPAQ-NBUDSHOTSA-N 448.353 7.064 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1 102509223 CULBWZKLZZUWJE-MOBKVPTQSA-N 440.524 5.539 30 40 IKEB CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3CC)c2C)cc1 408692006 BDVIEBZCFIZDBN-WPWMEQJKSA-N 443.551 5.015 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3n2CC)ccc1OCc1ccccc1Cl 408692278 JABDSFNNSZORFJ-JVWAILMASA-N 448.954 6.133 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 408907693 OVAAEWHQEBMVDE-SLHJDRLVSA-N 447.354 5.096 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1OC 408912997 OXTXSJCNALOFSE-YCJCGMCGSA-N 444.556 5.816 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 409210170 ISJCRTJOMSMGNC-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 409214709 XVFYYCDNQIJTCP-ZVHZXABRSA-N 434.344 6.074 30 40 IKEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 409217090 RLLXOFWVRRNNGA-ZVHZXABRSA-N 434.344 6.074 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 409218288 ZZYSBBZELPJITL-VULFUBBASA-N 430.331 6.730 30 40 IKEB CCOc1ccc(-n2cccc2C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409281428 MIYUWUOMNOFQME-UHFFFAOYSA-N 440.547 5.516 30 40 IKEB C#CCOc1cccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)c1 409360587 BBVQLEYYFGRVIN-ZCTHSVRISA-N 430.507 6.865 30 40 IKEB N#Cc1c(/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)sc2c1CCCC2 1505438092 BEDYMOVYCJRJAY-QYQHSDTDSA-N 431.948 5.820 30 40 IKEB Cc1ccc(NC2=C(C(=O)c3ccco3)[C@H](c3ccccc3)N(c3ccccc3)C2=O)cc1 1076110 OBXAAWFCOTYJHK-SANMLTNESA-N 434.495 5.925 30 40 IKEB Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)c1 2071763 GXSIWCPEZCCAAE-FOKLQQMPSA-N 432.392 5.384 30 40 IKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 3113203 COCYCKVUHGDJMU-BRJLIKDPSA-N 425.271 6.339 30 40 IKEB Clc1ccc(/C=N/Nc2cc(-c3ccccc3)c3cc(Br)ccc3n2)o1 8926470 MKWCIIWYDTXTQS-FSJBWODESA-N 426.701 6.357 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 9087293 RIZHIWRNUHMCIA-QHCPKHFHSA-N 447.918 5.830 30 40 IKEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C 9196582 FJERBSZFJZIIIM-BHGWPJFGSA-N 431.323 5.741 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(OC)c1 9478576 WWNVOCWEXRUHLP-UHFFFAOYSA-N 436.581 5.168 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@@H](C)C3)C2=O)c2ccccc21 13681157 NZJVEMLDYNICJQ-HZTDBVLZSA-N 430.548 5.461 30 40 IKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1C 13842952 FCIPRWVOMBHGRB-UHFFFAOYSA-N 436.581 5.206 30 40 IKEB C/C(=N\N=c1/scc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(F)cc1 16711410 WZHXIERYIHKBIX-RMXOYLDRSA-N 425.916 5.975 30 40 IKEB C(=N/CC/N=C/c1cc2c(c3ccccc13)CCCC2)\c1cc2c(c3ccccc13)CCCC2 18038374 VWIPOQXEVCQEGP-WXGDAXOSSA-N 444.622 7.289 30 40 IKEB N#CCCn1cc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21 25315882 ZDLNAQMHNJKJHW-DFKUXCBWSA-N 447.586 5.296 30 40 IKEB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 36611972 FHIHDASURXFVSB-PMUXKVHSSA-N 444.585 7.913 30 40 IKEB C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085769 QSZSKFTWWYWWBX-UHFFFAOYSA-N 442.382 5.538 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@@H](COCOC)OC(C)=O 95612021 JOSCSIUPYUMNLZ-BEZSILKHSA-N 430.626 5.785 30 40 IKEB O=C(NC(NCc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 97949735 YTZPQOMSLNKRTL-UHFFFAOYSA-N 444.297 5.046 30 40 IKEB O=C1C(=O)N(c2ccccn2)[C@@H](c2cccc(Cl)c2)/C1=C(\O)c1ccc(Cl)cc1 102528539 ZWAAUTXRPQCQGQ-WOOAAIBNSA-N 425.271 5.015 30 40 IKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc21 208472619 XLELGTSTCHDUPB-AYJRXSIJSA-N 437.996 6.206 30 40 IKEB C=CCOc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cn1 225944316 YVKSTAVDBCHBKK-UHFFFAOYSA-N 448.566 6.008 30 40 IKEB C=CCc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(OC)c1OCc1ccccc1 408742789 PWZDHNOYSPUZSU-PCLIKHOPSA-N 438.523 6.292 30 40 IKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Br 408753711 HIUZYPZYCPQLIJ-PDGQHHTCSA-N 431.355 5.302 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccccc4C)NC3=O)c2c1 408773842 MNXDZISAKAHIOO-HAHDFKILSA-N 432.545 5.837 30 40 IKEB C[C@H](Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)O 408817123 XDMKMXGMKYAWSP-CJYHTDBRSA-N 444.512 5.347 30 40 IKEB C[C@@H](NC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1)c1ccccc1 408819197 WZLBQHSNYVEWRH-WZJLVRHISA-N 437.337 5.456 30 40 IKEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1OCc1ccc(Cl)c(Cl)c1 408890596 WECGIIXKDPNIQQ-YSURURNPSA-N 447.278 5.330 30 40 IKEB O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccccc3Cl)S/C2=N/c2ccccc2)cc1 408916327 BYIOMDLZZJSZRH-SXVBQMOPSA-N 448.931 5.842 30 40 IKEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)C1=O 408917088 MICULMMGYJMTIK-XDHOZWIPSA-N 442.334 5.006 30 40 IKEB C/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N1C 408929882 PGQPORDLXZBVDT-SIDOVAFHSA-N 437.348 5.113 30 40 IKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1F 408932380 WLMJBTSOXCIUSN-MTDXEUNCSA-N 434.511 5.391 30 40 IKEB O=C1/C(=C\c2ccc(Br)s2)S/C(=N/c2ccccc2)N1C1CCCCC1 408983547 LHTDYCRLIYYJOD-UGFLLLHASA-N 447.423 6.447 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1cccc(F)c1 409208145 BIARHZQVWLNLNC-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 1299643 YFKCFDHHFNHUCM-GOSISDBHSA-N 442.606 5.221 30 40 IKEB C=CCNC(=S)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 2219298 QASJOPPQXSWSRZ-UHFFFAOYSA-N 441.600 5.871 30 40 IKEB CCCCCCCCOc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 2361044 SEYVQSPZLLFXAX-UHFFFAOYSA-N 427.544 6.478 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 2371831 HBHARBUWBQALLU-UHFFFAOYSA-N 444.535 5.486 30 40 IKEB N#CCSc1ccccc1NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1 3533902 SUUMXHOOCHEJGY-UHFFFAOYSA-N 431.542 5.596 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(NC(=O)CCC)cc2)cc1OCC 8437868 YIYWVUOIZVUKHF-UHFFFAOYSA-N 447.373 5.763 30 40 IKEB C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 8827438 VPBQKMPLLZBNJV-NRFANRHFSA-N 444.512 5.181 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)c4ccccc4)c3C)C1=O)cn2C 8991772 CCOKIEVNBZUBDJ-ZMOGYAJESA-N 439.467 5.331 30 40 IKEB COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(C)=O 9264313 GHIOUXPTYCHIBO-WGDIFIGCSA-N 428.488 5.209 30 40 IKEB Cc1cccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccccc2)c1 9443446 TVSRSOXGNCJYAR-UHFFFAOYSA-O 426.359 5.096 30 40 IKEB C=CCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs/c1=N\c1ccc(C)cc1 12558705 WGGDGPOSHQUTFQ-FVDSYPCUSA-N 434.649 7.244 30 40 IKEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 14091497 ICAKRDAVSLTMQQ-UHFFFAOYSA-N 433.364 5.093 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1 34793129 KGOPQOBSPAVBLF-YSMPRRRNSA-N 438.911 5.307 30 40 IKEB CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 100284276 HKGNEWRMTNSEIB-UHFFFAOYSA-N 447.369 6.228 30 40 IKEB O=C1[C@H](Cc2ccc(F)cc2)S/C(=N\N=C/c2ccc(Cl)cc2)N1Cc1ccco1 102972353 DCUGRKVJPDVMFU-XFFJZQRISA-N 441.915 5.149 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2C)cc1 110220208 NETNEALFNSDDCZ-NDZAJKAJSA-N 446.554 5.916 30 40 IKEB Brc1cc(/C=N/Nc2ccc3ccccc3n2)ccc1OCc1ccccc1 408737942 KXZPUZJDDKYEFC-MFKUBSTISA-N 432.321 6.022 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1OC 408854491 GPRMVSPIZSKXEH-WGARJPEWSA-N 438.549 5.308 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O 408862518 ZPQNZJNZYFDWOI-HMAPJEAMSA-N 436.964 6.482 30 40 IKEB CCOc1ccc(/N=C/c2c(C)c(/C=N/c3ccc(OCC)cc3)n3ccccc23)cc1 408972841 GJZRQPJHDRXGPW-UOSOPFLXSA-N 425.532 6.546 30 40 IKEB Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 409111055 AEKYGBKQYQZACA-MZJWZYIUSA-N 432.545 6.383 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409208962 BCISGNWXIRDHSG-OEAKJJBVSA-N 437.408 5.453 30 40 IKEB CCOc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1O[C@H](C)CC 409291298 APWRPVWMXYJLKP-LJQANCHMSA-N 447.579 5.902 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccc3c(c2)OCCO3)nc1SCc1ccccn1 971480 NFGJNRQIELAONC-UHFFFAOYSA-N 429.423 5.098 30 40 IKEB CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCC#N)c2ccccc12 2075369 LJRGXNHXZMJEAK-UHFFFAOYSA-N 436.555 6.941 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F 2727243 MYDTUXQZYKGFBP-GKVSMKOHSA-N 449.522 5.149 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1cccc2ccccc12 3089365 ZJASIJBNDWBNHN-CVKSISIWSA-N 430.847 6.371 30 40 IKEB N#Cc1ccc(C(=O)N(c2ccc(SC(F)F)cc2)c2nc3ccccc3s2)cc1 3353708 VHSLJCUNWYRZOC-UHFFFAOYSA-N 437.496 6.461 30 40 IKEB CC(C)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O 9236592 CNIHVUIBTVCRHV-KEBDBYFISA-N 426.925 5.483 30 40 IKEB Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2)c1 9403869 MSGMVBJBWYEAQT-UHFFFAOYSA-O 430.380 5.949 30 40 IKEB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C1=C(CCCC1=O)N2 14361077 JPRAHKPNPIIFKS-DEOSSOPVSA-N 445.994 6.696 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCC(C)C)cc1 14605463 HUKLXRAWXDWYDK-HHHXNRCGSA-N 445.607 5.384 30 40 IKEB Cc1cc(-c2ccc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)o2)c([N+](=O)[O-])cc1C 15990381 CMGSLIDNEPXEHF-AFUMVMLFSA-N 430.464 5.020 30 40 IKEB CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)c(Cl)c2)N[C@@H]1c1ccc(Cl)c(Cl)c1 19489314 FOUPCSKNFATMEY-RTBURBONSA-N 430.162 6.096 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 20027282 AOGQNRPFLLDBII-VWLOTQADSA-N 445.559 5.433 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC)c(OCC)c1 20672314 YXSSLCVJNOHAEP-XMMPIXPASA-N 447.535 5.242 30 40 IKEB COc1cc(Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O 38162402 DAOXQTZFEUBBGE-NGYBGAFCSA-N 435.499 5.035 30 40 IKEB CCCCOc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)cc1 408723105 QHRAIYXTNIJJEC-TURZUDJPSA-N 442.584 7.415 30 40 IKEB N#Cc1c(/N=C/c2cc(Cl)cc(I)c2O)sc2c1CCCC2 408739913 GIVUYNGWFJRLPX-DNTJNYDQSA-N 442.709 5.213 30 40 IKEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccc(Cl)cc1Cl 408741366 LNOVJAQCILXGLD-NSIKDUERSA-N 428.138 5.648 30 40 IKEB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)cc2)c1 409166424 DQYFCWCFZTWGGW-ZVHZXABRSA-N 440.524 5.682 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1C(C)C 409214247 WICCEJSFELBMFU-GRUKXCDCSA-N 439.537 5.263 30 40 IKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409384811 DNBJDXAHMHPTKQ-JVWAILMASA-N 449.620 6.329 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 1437505 FZWFXQJDLNGVJB-HRFSGMKKSA-N 439.515 6.191 30 40 IKEB O=C(C(=N/Nc1ccc(Cl)cc1)/C(O)=N/c1cc(Cl)ccc1Cl)c1ccccc1 2075472 KRMHUPHTIHZVRU-DIBXZPPDSA-N 446.721 6.586 30 40 IKEB COc1ccc(C2=C(Nc3ccc(Br)cc3)c3ccccc3C2=O)cc1OC 2550072 NJIVXCOKRAPPTD-UHFFFAOYSA-N 436.305 5.643 30 40 IKEB Cc1ccc([C@]2(C(F)(F)F)N=C(O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 3203563 XZHGCWUCZQEFOW-RHGSLLQMSA-N 441.478 6.565 30 40 IKEB N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3390265 MWQFIAKJTFRWDA-UHFFFAOYSA-N 441.874 5.222 30 40 IKEB Cc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)o1 8386392 DYNPFCBZGUZQRS-ACCUITESSA-N 432.317 6.770 30 40 IKEB CC(C)CN(CC(C)C)c1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 8442521 CIPGNGGJENZWCY-RWPZCVJISA-N 443.547 7.363 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)c1ccccc1 8446002 LKXLLDUAGSWYSV-UHFFFAOYSA-N 440.955 6.916 30 40 IKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 9034230 ZMSRPNHJHAIKNC-BRJLIKDPSA-N 427.722 6.703 30 40 IKEB FC(F)(F)c1nc(/N=C/c2ccc(Cl)cc2Cl)sc1-c1ccc(Cl)cc1 13881975 FMVGYZGCOGZHPZ-KTZMUZOWSA-N 435.685 7.540 30 40 IKEB COc1c2c(cc3c1[C@@H](CC(=O)/C(C)=C/[C@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 33887130 SSFGQCRZUFDDEM-ZUGOVCDKSA-N 425.569 5.241 30 40 IKEB biogenic C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl 33957399 KAZZDRRNZVOQBJ-FVPBKMDNSA-N 441.402 7.030 30 40 IKEB O=C(c1cc(Br)cc(Br)c1)C(F)(F)C(F)(F)C(F)(F)F 39957478 WYVCRFJVDBZRMR-UHFFFAOYSA-N 431.927 5.227 30 40 IKEB COc1ccc(OCc2ccccn2)c(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)c1 58103812 ZELSVHVZRCIGDC-VQHVLOKHSA-N 439.895 5.236 30 40 IKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59302692 NKKYAHPDENZMRS-CVKSISIWSA-N 437.927 5.033 30 40 IKEB CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 97954775 HLPJGEFAZYYPTN-OAQYLSRUSA-N 433.596 6.316 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/c1cccc(C)c1 100499529 QCNIETGMHZBTIL-VHPLVOQASA-N 437.590 5.554 30 40 IKEB O=C(/C=C1\Nc2cc([N+](=O)[O-])ccc2N\C1=C\C(=O)c1ccccc1)c1ccc(Cl)cc1 104315946 JLROVADVPPVTIW-MGAWAESESA-N 445.862 5.619 30 40 IKEB COc1ccc(/N=c2/scc(-c3ccc4c(c3)OCCO4)n2/N=C/C2CCCCC2)cc1 105761985 ZSHRDXULXBJTMD-HVWDZSHOSA-N 449.576 5.643 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 253612161 AXNNSHMUJUSTKY-SKSBSWGVSA-N 434.620 5.744 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(Cl)c1 408561986 MKNQOAFYDQQYBF-UHFFFAOYSA-N 448.979 5.592 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1cccnc1 408774253 BRGVVAJDUFGKCC-ZDLGFXPLSA-N 443.359 5.688 30 40 IKEB O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 408848456 ZEAHKDYFVSRCJH-DSTPSKMHSA-N 449.579 6.150 30 40 IKEB CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 408911481 ZNRSOTOOZJKLOZ-UINIZAEWSA-N 428.557 6.278 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)S2)c1 408993814 WVHPWIZGEREKLS-PDGQHHTCSA-N 449.582 6.241 30 40 IKEB COc1cccc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)c1 409302428 IRUDPFLXNUSDRZ-UHFFFAOYSA-N 440.341 5.098 30 40 IKEB CCc1cc2c(cc1N1CCC(N(C)C)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 653797832 LSTKGNJVVPYVIX-UHFFFAOYSA-N 440.591 5.003 30 40 IKEB CC[C@H](CC[C@@H](C)[C]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1560403804 IENWVXPIGPLDJV-JJJKJVQQSA-N 427.693 7.162 30 40 IKEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc4c(c2)OCO4)C3)s1 678590 HTMLOCJJKALHQD-LMKMVOKYSA-N 430.529 5.765 30 40 IKEB CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(C)=O 1441112 PEDBJMZWQJGIIB-MHZLTWQESA-N 427.500 5.837 30 40 IKEB O=C(Cn1cc[n+](CC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl 1884810 GYEDUMKBIZKJIR-UHFFFAOYSA-N 443.137 5.155 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2397544 PNWDSOUKILEGBI-UHFFFAOYSA-N 430.552 5.537 30 40 IKEB N#CC1(C#N)[C@@H](c2ccc(F)cc2F)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 6446061 CAYPLBWXIOMWFB-DSITVLBTSA-N 437.449 5.249 30 40 IKEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 9380693 DQABYKGBWCPQHX-IBGZPJMESA-N 428.326 5.136 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccc(F)cc4)ccc3C1=O)cn2C 9423673 PUTWBNPATFHEOE-OPEKNORGSA-N 429.447 5.521 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2ccc3ccccc3n2)n(Cc2cccs2)c1C 9847321 HTQIBSPRUUGRDI-UHFFFAOYSA-N 432.574 5.365 30 40 IKEB Clc1ccc(/C=N\N2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1Cl 17422536 WALVIZGMSHJSLH-QEUMEHMPSA-N 430.166 5.286 30 40 IKEB Brc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)s1 19808644 OWJQEZCCOFTTTF-BUVRLJJBSA-N 438.394 5.232 30 40 IKEB CCOc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 32984231 PDDRZFUAUJHIIU-UHFFFAOYSA-N 439.920 5.388 30 40 IKEB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 58989389 NQWXNQWTBURGDJ-HXUWFJFHSA-N 438.936 5.041 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)SC1=S 59418073 SECQZROKJZAXPP-XDHOZWIPSA-N 431.966 5.315 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc3sc(-c4ccc(Cl)cc4)nc3c2)ccc1Cl 100503038 ZMPNGLHGFGEGBT-FOKLQQMPSA-N 428.300 6.929 30 40 IKEB C/C(=N\c1ccccc1Br)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643564 ZOTZBXIAMGLPPX-MFKUBSTISA-N 433.305 5.600 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 102714329 FFAXGXFFLXBTER-MRJHHRETSA-N 434.467 5.046 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(OC)c1OC 106734241 BIFZVEYICBDRQS-GRSHGNNSSA-N 447.915 5.461 30 40 IKEB Cl/C(=C\C=N/N=C/C=C(\Cl)c1ccc2ccccc2c1)c1ccc2ccccc2c1 221958053 ZNROLMNGIYQMRQ-TZAWGPSGSA-N 429.350 7.909 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 408702968 WYUVBLOTASZFOR-FQEVSTJZSA-N 448.346 5.387 30 40 IKEB Oc1ccc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 408718644 NXRRQNGEFOKMOH-UXTBUNMHSA-N 444.578 7.020 30 40 IKEB CCOc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 408722546 KBSDAKOUNWJAAV-WGOQTCKBSA-N 443.528 6.843 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cc(C)cc(C)c3)c2-c2ccccc2)cc1 408732244 PWEYZYXFCCARGL-STKMKYKTSA-N 440.590 8.487 30 40 IKEB CC[C@H](C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 408964508 HKODFMAHNWAHLO-MDBUFAAASA-N 444.387 6.811 30 40 IKEB O=C(NC1CCCCC1)c1c(/N=C/c2ccc(N3CCCC3)cc2)sc2c1CCCC2 409069167 LPWGGIMYQVVXBP-OVVQPSECSA-N 435.637 6.040 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 409076090 XRELRPHNSKANMZ-RPPGKUMJSA-N 433.361 5.778 30 40 IKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)c(Cl)cc1Cl 409108866 YMXNXVIMZPYDMB-KTZMUZOWSA-N 445.184 6.021 30 40 IKEB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Cl)c1OCC 409155594 LUMYSVWNYUKHFL-YBFXNURJSA-N 442.924 5.246 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409217630 QYBKSZMFXBZBAE-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc2c(c1)OCO2 409305511 NJOVTGYLJYKFCH-UHFFFAOYSA-N 443.846 5.074 30 40 IKEB COC(=O)c1cccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1C 409382716 PWZJXQLVDVJZBI-JFLMPSFJSA-N 430.504 5.167 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(C)cc2)[C@H](CC)O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)O 2037875617 XIAKQKYJWSXJHJ-RANWGYSASA-N 446.946 6.467 30 40 IKEB COC(=O)c1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3 971163 XYTKZEBKUIEVCH-FOKLQQMPSA-N 428.282 5.317 30 40 IKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O 1085932 SROGWZWKRJBQEJ-BZZOAKBMSA-N 436.968 5.086 30 40 IKEB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1 1097402 GVTDKINTTGOSHT-AJBULDERSA-N 447.538 5.878 30 40 IKEB N#Cc1c(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)sc(=S)c2c1CCCC2 1576726 ASIHOLHAWLIHFK-UHFFFAOYSA-N 443.903 6.544 30 40 IKEB Cc1cccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)c1 1922757 XSOZUUFKHMAMRR-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3C)nc2c1 2067620 GSYULFHLJQLGPA-OPEKNORGSA-N 435.867 6.438 30 40 IKEB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1cccc(C#N)c1 3318301 KFTZKRRKCJLBEU-UHFFFAOYSA-N 439.924 5.167 30 40 IKEB CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(N2CCOCC2)cc1 4105534 UHNDKKPQBIPCFW-GVPYCIPCSA-N 435.593 5.055 30 40 IKEB Cc1ccc(/N=C(\NCCCN2CCOCC2)C(c2ccccc2)c2ccccc2)cc1 4832309 JWGSDUHRYRZDJS-UHFFFAOYSA-N 427.592 5.169 30 40 IKEB N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl 9196863 AHIRSOXKTZBFTD-KKMKTNMSSA-N 444.749 6.221 30 40 IKEB CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)nc2c1 13946088 MXYWZBHCXXSWIZ-UHFFFAOYSA-N 433.870 6.535 30 40 IKEB CC(=O)Nc1s/c(=N\N=C\c2ccccc2)n(Cc2ccccc2)c1-c1ccccc1 32623427 XGUBWCYBSJYEBU-NDQAOLADSA-N 426.545 5.158 30 40 IKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C#N)C1 57313472 XJHHLEGAINYBIS-RZXPCSSPSA-N 447.585 5.531 30 40 IKEB C=CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 59475141 GROYNFKHNCHPAI-WPWMEQJKSA-N 445.975 7.141 30 40 IKEB CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 97954159 XUOVDNGQFJTUMM-HSZRJFAPSA-N 431.624 7.006 30 40 IKEB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N/c1ccc(C(=O)O)cc1 100938938 OPFVOZADAUFVNL-QLIPUSLZSA-N 438.892 5.532 30 40 IKEB Cc1ccc(-c2csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1 103619743 LLLKLEOUAQILTI-UHFFFAOYSA-N 436.299 5.525 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N\c1nc(-c2ccccc2)cs1 104188975 ZSQVWGNKELPHOV-UWVJOHFNSA-N 438.144 5.791 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 118916261 UILXPFRZQGQVFT-LVHXGSLFSA-N 442.546 6.174 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408936319 FOUWXNZTJCULHE-PMXSXJJTSA-N 428.963 7.316 30 40 IKEB Cc1cccc2c(/C=N\Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)c(C)n(C(C)C)c12 409034033 GWGUOZLYOTYEBN-HYYKAVFWSA-N 445.382 6.860 30 40 IKEB CCn1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(Cc3ccco3)C2=O)c1C 409107826 RCALLEZUYBLUCP-OJVQYLDISA-N 435.549 5.531 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 409211272 NGTSDZWAPSQQOK-VULFUBBASA-N 442.328 6.625 30 40 IKEB CC[C@H](CC[C@@H](C)[C]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1560403805 IENWVXPIGPLDJV-PZOGRCEVSA-N 427.693 7.162 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C\c2ccccc2OC)C(=O)N1c1ccccc1CC 2082267 ZJXFXNJPTOKNLR-ZEHKLFRWSA-N 442.584 6.629 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(C)cccc1C 2364466 MXCRNIMUHDMPFY-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CCOc1ccc2oc(C(=O)N3/C(=N/[C@H]4CCCC[C@H]4C)SCC3(C)C)c(C)c2c1 6539272 PQJDUCOVWJQBMP-ARXRJGDJSA-N 428.598 6.042 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccc(Oc3ccccc3)c2)c2ccccc21 10059708 TZGRFSWZCQAQBE-MUUNZHRXSA-N 433.532 7.345 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccs1)c1c([nH]n(-c3ccccc3)c1=O)N2 18196869 SQACQJKZINATSO-LHSJRXKWSA-N 445.569 5.247 30 40 IKEB Oc1c(Br)cc(I)cc1/C=N/c1ccc(Cl)cc1 32121267 LQVFCGXDCNZIAQ-REZTVBANSA-N 436.474 5.163 30 40 IKEB Cc1ccc(C(=O)Nc2s/c(=N\N=C/c3ccccc3)n(C)c2-c2ccccc2)cc1 32623439 PVLYLXPPNYOSTE-CIPAVPIUSA-N 426.545 5.249 30 40 IKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)c1 39404149 QUFVMSYOWYCWJZ-UHFFFAOYSA-N 443.459 5.343 30 40 IKEB CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12 97986482 ZEEKCBXVDUQBHD-UHFFFAOYSA-N 435.567 5.731 30 40 IKEB CCCCCCCCCCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21 100841003 MPFBFCPSARCSKR-UHFFFAOYSA-N 438.543 6.239 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408852362 JYEWGMPIONIQQY-ZDLGFXPLSA-N 442.855 5.329 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S/C1=N\c1ccc(C)cc1 408914369 URGFZPCLZWWYSQ-QMSJJHEMSA-N 447.516 6.096 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1 408914950 ZXGQDVIMUYJHPP-MSXFZWOLSA-N 429.835 5.421 30 40 IKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1cccc(F)c1 409068512 SXGUENSCQMBQEC-JVWAILMASA-N 434.467 6.191 30 40 IKEB Cc1c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1 409199001 APDYJTDSXQVTQZ-BOSNEQTGSA-N 431.605 6.087 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C 409212193 PYUPQIWOHNTYAA-FSJBWODESA-N 425.828 6.316 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409213505 PJGJJOALLLPKTE-VULFUBBASA-N 427.331 6.324 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N/c1ccc(OC)cc1 409221902 VRPHFXGMKGQCFI-LRXZINBSSA-N 438.936 6.233 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)S/C1=N/c1ccc(OC)cc1 409239632 HSZHYVGHCXKLCI-YZFSDQBZSA-N 449.551 5.866 30 40 IKEB CCCCc1ccc(CN2CCCC[C@@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)s1 585293770 LZBWPZJJALWKKF-XMMPIXPASA-N 446.624 5.927 30 40 IKEB N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCCC3)CCCCCC2 663318 AWLBYSCTZQZUCO-UHFFFAOYSA-N 436.606 5.155 30 40 IKEB Cc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)c1 2082203 JYQLWEQFKRWXBZ-QGZVFWFLSA-N 437.568 6.521 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C 2329760 BOYNGJGSEKFICA-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB Cn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CCCCCCCCCC3)n1 2779162 GRTNJKGMQCFYFX-UHFFFAOYSA-N 449.418 5.587 30 40 IKEB Oc1cc2ccccc2cc1-c1nc2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc2o1 3117052 CPSVAQPIOHVUEM-KKMKTNMSSA-N 449.293 7.117 30 40 IKEB COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 6239978 GNKVJRZBFROKGL-NRFANRHFSA-N 437.854 5.271 30 40 IKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1cccc([N+](=O)[O-])c1 8821196 NWAZHPZNHSZBLE-AUWJEWJLSA-N 427.791 5.159 30 40 IKEB Cc1ccc(C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)c2nc3ccccc3o2)cc1 8858232 OSKFBRDHMDXVKP-JWGURIENSA-N 439.898 7.473 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)s2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 9113495 VVLLUTNDRUIFPM-WAIKUNEKSA-N 441.618 5.679 30 40 IKEB C=CCn1cc(OC(=O)CCCCC)c2c1nc(CCCCC)n1c3ccccc3nc21 9124198 CQPCPDAAKXBLTB-UHFFFAOYSA-N 432.568 6.242 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1 9380129 RWXQMXUNKHPHCM-NRFANRHFSA-N 448.316 5.540 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C)o3)sc2c1 9507991 LDDROXNLIOQZAQ-HXUWFJFHSA-N 448.500 5.444 30 40 IKEB Cc1cccc(CSc2nc3n(n2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)c1 10059675 FTQRSPSNNSZBAA-JOCHJYFZSA-N 430.577 5.537 30 40 IKEB Cc1ccc([C@H]2N=C(SCc3cccc(Cl)c3)NC3=C2C(=O)c2ccccc23)cc1 12954673 XZEGGEUKVUWRCR-JOCHJYFZSA-N 430.960 6.190 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 13569450 WRRZDJSSYKHCQI-QFIPXVFZSA-N 440.524 5.642 30 40 IKEB COc1cc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)ccc1OCc1ccccc1 13633104 VNDRUXQCBKDZQX-VEILYXNESA-N 449.982 5.079 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 15227175 FUSNXUJZFDXTQJ-HMAPJEAMSA-N 445.544 5.246 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C=C/C=N/N3CCCCC3)cc2)cc1 16638579 YVUPLOJJQTYWCI-FGYDVNMJSA-N 446.591 6.516 30 40 IKEB CCO/C(=N\c1ccc(F)cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 17139517 MZKZHUWRLRTRIV-KDJFERLWSA-N 441.571 7.575 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 19990640 KLNSCUYDKJOSQS-NRFANRHFSA-N 434.363 5.837 30 40 IKEB O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35646684 KCQACIADWXEOEM-WQRHYEAKSA-N 425.853 5.400 30 40 IKEB CN1/C(=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)Sc2ccccc21 100549866 QDBBGXGYZMJDNC-ZMPCKTLKSA-N 427.639 5.994 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccc(Cl)cc1 408779599 GFRMVTYHZOAICI-JAIQZWGSSA-N 442.371 6.293 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 408816959 KJZSIOSNXCHAHW-UCQKPKSFSA-N 443.959 6.235 30 40 IKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1cccc2ccccc12 409115548 JLIXHFOFIOSCSB-UHFFFAOYSA-N 437.583 7.467 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409215661 CZZWUVZPFXHQAB-MZJWZYIUSA-N 444.409 6.864 30 40 IKEB COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC 709514 OJVSDPMGDOHGSH-DWXRJYCRSA-N 426.516 5.683 30 40 IKEB O=C1OC2(CCCCC2)N2C(=C1C(=O)c1ccccc1)C(c1ccccc1)=Nc1ccccc12 8857478 KMNHNBOPLUADAN-UHFFFAOYSA-N 448.522 5.982 30 40 IKEB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)/C=C/c3ccccc3)c3cc(Cl)ccc32)cc1 8922676 ZDYOQYKUGJUPFX-HEAKDJBOSA-N 431.919 5.055 30 40 IKEB C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3c2C1 13133651 XNCFSDXCKWWEHX-XOBRGWDASA-N 445.975 6.560 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl 13482298 SRSOJXJDJDRYLG-PJFOTGOESA-N 431.319 5.224 30 40 IKEB CCCCCCCCC1c2cc(Br)ccc2-c2ccc(Br)cc21 59211906 VHJHNUMVXRVNLL-UHFFFAOYSA-N 436.231 8.075 30 40 IKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1 102417448 SYIUZNCFEDGIIU-VULFUBBASA-N 449.348 7.011 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 102857980 XADIILSENQXNOH-ZHHPLPSFSA-N 431.919 5.313 30 40 IKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 113837578 DZPQDLQJUHGEBX-MKMNVTDBSA-N 428.684 5.447 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)cc2)cc1 223562475 NUDLUESWUABMKE-CIXXEJBXSA-N 426.604 8.039 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc2ccccc2c1 408591281 JKGHWDNSCLILRL-JVWAILMASA-N 442.471 5.886 30 40 IKEB Cc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc(Cl)c1 408767542 YJCSMLMMNNROGK-MYYYXRDXSA-N 437.952 5.213 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccccc1Cl 408810878 KAIKAWSJVGYZEG-MOSHPQCFSA-N 443.952 5.712 30 40 IKEB Clc1cc(/N=C/c2cc(Br)c(N3CCOCC3)o2)ccc1Br 408851261 ASAVELUOFDASDG-DJKKODMXSA-N 448.542 5.045 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccc1Br 409090591 RNDBYRSWAZMASK-KIBLKLHPSA-N 437.263 5.716 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2ccccc2OCC(=O)O)S/C1=N/c1ccc(Cl)cc1 409090593 MFNAYGATWWEPPQ-YVQDBNNVSA-N 444.940 5.063 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(Cl)c1 409203485 WOCYEOWESGEMIS-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB CC[C@@H](C)n1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409297452 WQPYAZWSKAFYEN-LJQANCHMSA-N 426.564 6.252 30 40 IKEB COC(=O)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409379424 XHIBJODEUKWYSC-LGJNPRDNSA-N 440.858 5.034 30 40 IKEB CCCOc1c(Br)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197207 PVBBLUUIMQQYEO-LSHDLFTRSA-N 446.172 5.677 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c(OC)c1OC 11869806 DNRUZMBZIWTRPE-QRVIBDJDSA-N 432.472 5.216 30 40 IKEB biogenic O=C1/C(=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2N1Cc1ccccc1 12562883 CKGJZJREDJNKSD-TWKHWXDSSA-N 448.366 6.392 30 40 IKEB CC(C)/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc2c(c1)OCCO2 16035407 DBVJPTPXLXNGPQ-RDWBYJSESA-N 448.375 5.486 30 40 IKEB Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2c(c1)OCO2 23175877 ZIHDJTLTMKKKEZ-YRNVUSSQSA-N 438.439 5.743 30 40 IKEB CCCCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 53307960 WVHZVRGAZFOLNR-UHFFFAOYSA-N 441.710 7.769 30 40 IKEB COc1ccc(OC)c(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 101092720 MHRVDDOKIRWUKH-UHFFFAOYSA-N 425.406 5.899 30 40 IKEB CCCCCCCCOc1ccc(-c2cc(-c3ccc(OCCCC)cc3)ncn2)cc1 103012866 QTTZUKUGHVRNQS-UHFFFAOYSA-N 432.608 7.729 30 40 IKEB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917978 MXZYUFNILISKBC-BJJNNOASSA-N 440.502 5.198 30 40 IKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2[C@H](C)CC1(C)C 198095959 KMFOPKYSPKYMHP-RJACIUSSSA-N 428.576 7.350 30 40 IKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccccc1I 408623844 SKMUSHJNBVXMKH-OUKQBFOZSA-N 427.285 5.595 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 408763491 PGURZVUXZVGASU-JLPGSUDCSA-N 444.604 5.614 30 40 IKEB Cc1cccc(COc2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4C)NC3=O)cc2)c1 408864378 ZLWYWUQLPYRKSG-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(Cl)cc1 409116784 MLVCEJPKQYOENZ-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1cc(C)ccc1C 409202642 SMAHBZUFNNZWKH-SRZZPIQSSA-N 425.164 6.368 30 40 IKEB Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 409212890 ROFFJCBHISBLFR-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 409213296 SGWHOCICOWIENN-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1cccc(F)c1 409217934 RSPRDLIIPXPWJZ-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccccc2Sc2ccccc2)S1 409244195 ZFVDTTPIAWLHNC-STZFKDTASA-N 436.989 6.691 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1531383991 TYDLYHZMOVIELJ-VUTHCHCSSA-N 431.495 5.525 30 40 IKEB Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 1098607 YFYLWYGYFQGQBR-WSDLNYQXSA-N 445.569 5.034 30 40 IKEB Cc1cc(C)c2nc(SCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)c(C#N)cc2c1 1360935 DQHLXMSQHJRYSW-UHFFFAOYSA-N 433.533 5.019 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCCC 2069362 UFXODLYHZPYKRY-DEOSSOPVSA-N 425.569 5.567 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1 8827770 QNGNYPBBHGLZCA-QHCPKHFHSA-N 442.471 5.636 30 40 IKEB O=C1/C(=N/Nc2cccc([N+](=O)[O-])c2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 8857240 VGHHOQNJJSIINS-QLYXXIJNSA-N 441.472 5.297 30 40 IKEB N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)c1 9127866 VPNBMJUFHLGZOQ-UHFFFAOYSA-N 439.899 5.334 30 40 IKEB COc1ccccc1N(CCC#N)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 10219903 LZTKVDUNKWSAKL-UHFFFAOYSA-N 428.517 5.170 30 40 IKEB CCOc1ccc2c(c1)/C(=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 12436858 ALQBXPSBGNDKSG-LWTODMHQSA-N 441.512 5.216 30 40 IKEB O=C(/C=C/c1ccc(Cl)cc1)/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1 12524542 NKMXOTFNSBUBAH-HATZZRJISA-N 440.852 6.366 30 40 IKEB CCCCCC(=O)Oc1c(/C=N/N(c2ccccc2)c2ccccc2)sc2ccccc12 13765660 QCTOADIMOIZILZ-VFCFBJKWSA-N 442.584 7.559 30 40 IKEB Cc1ccc(/N=C2\C(=O)N(CN3CC[C@@H](c4ccccc4)C3)c3ccccc32)cc1Cl 14943705 YJUSQGMRFGOKHB-DQQTXVFNSA-N 429.951 5.563 30 40 IKEB CCCCCCCCCC(=O)OCCN1CCN(C(=O)CCCCCCCCC)CC1 95811635 ALPNPGVHCIWBHY-UHFFFAOYSA-N 438.697 5.955 30 40 IKEB N#CC(C#N)[C@H](/C(Sc1ccc([N+](=O)[O-])cc1)=C(/O)c1ccccc1)c1cccs1 100068399 WLVAMRSUUDISIA-RZRVEKSFSA-N 433.514 6.122 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cccc2ccccc12 100879388 AIMXGCGQNSPXDQ-RTGZZVAKSA-N 449.963 5.640 30 40 IKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)cc1Cl 101650374 FDHXRBRTKSXVSE-UAFKWENTSA-N 440.327 5.031 30 40 IKEB COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc(OC)c1OC 102926262 RGTFLSSVQLDBIG-OAQYLSRUSA-N 445.515 5.490 30 40 IKEB CN(C)c1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 408720088 XKSIZOXASLUTMG-AREMUKBSSA-N 441.531 6.124 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1C 408915318 ZMLOEHABRHWLOD-YJMTZZNISA-N 428.557 6.369 30 40 IKEB CCN1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)SC1=Nc1ccccc1 409208827 AJXBETUMVMWMPG-JUQJSGDGSA-N 444.560 5.113 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 409209405 GSMMIMBKAGRTFD-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N/c1ccc(OC)cc1 409239792 FELZXVODQRFLNS-JEBQXDLDSA-N 448.500 5.277 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2C)[C@H](C)O[C@@H]1c1cc(Cl)cc(OC)c1OCC(=O)O 2037875614 WZDBMFFDIUIFGB-XXPWESIGSA-N 444.955 5.946 30 40 IKEB CCn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 2791616 WGWGVQRXUWIMDA-NSHDSACASA-N 435.391 5.002 30 40 IKEB Fc1cccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(F)c(Cl)c5)o4)ccc3o2)c1 3083322 XJWIVFMKXNZUHG-XODNFHPESA-N 434.829 7.437 30 40 IKEB Cc1ccccc1N1C2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccccc2)C2=C1c1ccccc1C2=O 8781191 SUIWLRBPDURENZ-AREMUKBSSA-N 445.562 6.850 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1SCC(=O)C12CC3CC(CC(C3)C1)C2 9492127 ALIAZMWIIPERKD-UHFFFAOYSA-N 441.572 5.060 30 40 IKEB N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)CCC3)c1 9835703 WPTBMBKVXGEAJB-UHFFFAOYSA-N 427.529 5.030 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@H]2c1ccc(F)cc1 10035399 QXNPTXXBRHSOKJ-NRFANRHFSA-N 434.540 5.368 30 40 IKEB O=C1C2=C(NC(SCc3cccc(F)c3)=N[C@H]2c2ccc3c(c2)OCO3)c2ccccc21 12961042 CCTSFIVBCFLRCI-QFIPXVFZSA-N 444.487 5.096 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)C2=C(O)C1 13176625 FHNUQLHNFJIHEW-IBGZPJMESA-N 434.879 6.026 30 40 IKEB CCOc1ccc(Br)cc1/C=C1\S/C(=N\c2cccc(Cl)c2)NC1=O 15015819 GIXPQIOBZPHESM-SXGWCWSVSA-N 437.746 5.393 30 40 IKEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 20814325 QZNUVBSFMIMCKU-ZDXQCDESSA-N 425.488 5.297 30 40 IKEB Cc1c(OCc2cccc(Cl)c2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182752 IONAXSZBJDZEKE-CFRMEGHHSA-N 429.903 6.335 30 40 IKEB Cc1cccc(/N=C/c2ccc(OCc3nc(Cl)c4c5c(sc4n3)CCCC5)cc2)c1 28219417 NJTNNPJVDPDVKP-MZJWZYIUSA-N 447.991 6.862 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)SC1=S 32124826 ZUWGSKDCZKGVIR-LDADJPATSA-N 428.560 5.442 30 40 IKEB Cc1ccc([C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)c(C)c1 33351593 UFZFTJYRWWOMTM-PFBJBMPXSA-N 446.510 6.111 30 40 IKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OC)cc1 50704704 PMFXPCLGFPZVFW-UHFFFAOYSA-N 440.591 7.323 30 40 IKEB C=C(CCC)C1=C(C)C=C2C/C(=C\c3cccc4ccccc34)C(=C)[C@@H]2[C@@H]1c1ccccc1 54198334 HVURUKJRTJKPJS-BTVJMYOLSA-N 428.619 9.196 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102601615 PGFHTKZSXLUQRR-ZHHPLPSFSA-N 431.919 5.313 30 40 IKEB C(=C\c1ccccc1)\C=N/c1ccc(CCc2ccc(/N=C\C=C\c3ccccc3)cc2)cc1 104138590 VYZDRRDDEMEWKP-WZFMRJGKSA-N 440.590 8.303 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 118914960 AXNNSHMUJUSTKY-QSGQTCIVSA-N 434.620 5.744 30 40 IKEB C=CCOc1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 225366019 HNAOUWNVDIVFCR-UHFFFAOYSA-N 427.422 5.778 30 40 IKEB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3C#N)C2=O)cc1 409053577 NBZQPFCGXMCRDM-OYKKKHCWSA-N 440.524 5.682 30 40 IKEB CC(C)Oc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409089996 NYWQDDRDTKXWNY-ZNUIVASASA-N 430.617 7.462 30 40 IKEB Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)ON=C3c3ccccc3)cc2Cl)cc1 409092125 VKCQKRNKSUVSIK-ODLFYWEKSA-N 438.310 6.225 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OC 409314593 LOZVSGNCMWRTSL-LBPRGKRZSA-N 448.748 5.217 30 40 IKEB CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC(C)(C)C 409402383 HOKMOYBOKJJAMG-UHFFFAOYSA-N 441.531 5.522 30 40 IKEB CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 688500 IWRPYSNXHVNNGX-OAQYLSRUSA-N 449.963 5.556 30 40 IKEB C=CCNc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1C#N 8762242 VAWCFYAVYSGKIH-UHFFFAOYSA-N 427.360 6.212 30 40 IKEB C=CCn1c(SCCOc2ccccc2OC)nnc1-c1cc2cccc(OC)c2o1 9289737 PFEZJMWSCNGXLL-UHFFFAOYSA-N 437.521 5.066 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3cccc(Br)c3)C2=C(O)C1 9310991 XHRDLOUUSUROGU-IBGZPJMESA-N 428.370 6.263 30 40 IKEB Cc1csc([C@H](C#N)C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)n1 9595465 HPFKLZPGAIXPGU-GFCCVEGCSA-N 439.012 5.050 30 40 IKEB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCCS/C1=N\c1ccccc1C(C)C 12530540 WWRKHXUSMPOEBN-RQZHXJHFSA-N 446.620 5.938 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)[C@@H]2c1ccco1 21722795 HGFWPISOQPDINR-XMMPIXPASA-N 448.544 5.285 30 40 IKEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 46085406 MJYUORITSOBHLS-MFKUBSTISA-N 446.352 5.571 30 40 IKEB CCCCCCCN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 97949747 ZBSPOWLAHFWGDR-QFIPXVFZSA-N 438.572 5.927 30 40 IKEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(C(F)(F)F)c2)C(=O)C1 100023890 TVQRBQCRQCJQFS-LJQANCHMSA-N 436.470 5.565 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2cccs2)sc1C 102800343 RQNQQYQBGQKQKM-IBOXJLQUSA-N 430.938 5.101 30 40 IKEB CCCCCCCCCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 102818095 OVGQHQKHUOFDFI-UHFFFAOYSA-N 444.579 6.372 30 40 IKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O 408530443 LAFQBWQZRWHKJH-ATVHPVEESA-N 432.364 5.420 30 40 IKEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 408540671 VAHZMLBHFMJVCL-WGARJPEWSA-N 441.911 5.713 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 408761339 IPGVLKVKOTTYCS-XYGWBWBKSA-N 443.616 6.672 30 40 IKEB C=CCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408817476 VYXDKCBELKDAEV-NBAINJDCSA-N 433.597 6.305 30 40 IKEB C[C@H](NC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1)c1ccccc1 408819195 WZLBQHSNYVEWRH-HAWKZNDISA-N 437.337 5.456 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccc2ccccc2c1 408850643 QBGKBPKWNQFNMF-IWIPYMOSSA-N 441.531 6.278 30 40 IKEB COc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408967755 UOBZEXPMXYLDTC-BRJLIKDPSA-N 439.851 5.075 30 40 IKEB COC(=O)c1cccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)c1 409087376 CHTPWNSIDHQEQB-OVNWTWFZSA-N 446.572 6.568 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409196104 XAFXUCGSZVNBKB-LDADJPATSA-N 448.327 5.645 30 40 IKEB CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 409217095 RNBXRNRJEFLBAE-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB CC(C)(C)Oc1ccc(Cl)cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384598 ISPITZFSBBQIQE-JVWAILMASA-N 431.923 5.776 30 40 IKEB C=C(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 984891 IRMFWFPQJJZJIZ-UHFFFAOYSA-N 445.009 5.541 30 40 IKEB C=C1[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 1462543 CRZLCZVPGSGGGD-NSOVKSMOSA-N 444.534 6.400 30 40 IKEB C=C(C)CSc1nnc2n(CC(=C)C)c3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 2372018 QNYRSILYQOEEJU-UHFFFAOYSA-N 446.620 5.560 30 40 IKEB Cc1ccc(-c2csc3ncnc(SCC(=O)N(CCC#N)c4ccccc4)c23)cc1 2637168 CKNITWGXOHWKJG-UHFFFAOYSA-N 444.585 5.706 30 40 IKEB N#Cc1ccc(-c2ccc(OC(=O)CCN3c4ccccc4Sc4ccccc43)cc2)cc1 3279711 JBQUPEHAOQTTJS-UHFFFAOYSA-N 448.547 6.824 30 40 IKEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4216195 MXZYUFNILISKBC-WXLIAARGSA-N 440.502 5.198 30 40 IKEB Brc1cccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 8384857 BKGCJBMQNKPMLM-BUVRLJJBSA-N 430.309 5.414 30 40 IKEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 9379962 JANGBGBWWOSSEW-IBGZPJMESA-N 428.271 5.365 30 40 IKEB Oc1ccccc1/C=N/[C@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@H]12 12375288 PPJFANUQDXSZTQ-MFSJMSLOSA-N 426.516 5.656 30 40 IKEB Cc1cc(C)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C(=O)O)c2)cc1C 13193807 UNZDKZVMMLSICX-NRFANRHFSA-N 447.512 5.154 30 40 IKEB CC(C)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 13816146 OCQDUXCXSHGZPC-MGPUTAFESA-N 442.441 5.429 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2CCc2ccccc2)cc1 18190270 PURNNGBZHLCNJK-NKDOTSDESA-N 441.600 5.908 30 40 IKEB Cc1c(OCc2ccc(F)cc2Cl)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182539 YWQRRXJPLFBIDQ-MYKKPKGFSA-N 447.893 6.474 30 40 IKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)cc1 32915568 WCVYHNNXXYCRPL-UHFFFAOYSA-N 436.240 5.520 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3cccc(SC)c3)cc2-c2ccccc2S1(=O)=O 33271928 XGHMBXXJOHKYSF-UHFFFAOYSA-N 436.558 5.023 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccccc3Br)c(C)c2s1 72228600 PNCYRPRRWJRQSU-MSXFZWOLSA-N 445.386 6.126 30 40 IKEB CCCCCCCCCCCCSc1nc([N+](=O)[O-])nn1Cc1ccc(OC)cc1 97965972 OUPKYNHMGDUNOE-UHFFFAOYSA-N 434.606 6.256 30 40 IKEB CCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)S/C1=N\c1ccc2sc(C)nc2c1 100071411 AKHOKHGINBMDAY-XJGOTHBPSA-N 446.601 5.952 30 40 IKEB CCOC(=O)c1oc2ccc(/C=N\CCc3ccc(OC)c(OC)c3)c(Cl)c2c1C 103265620 DEDXIKBAIDKRTE-MXAYSNPKSA-N 429.900 5.250 30 40 IKEB C=CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cc1C(F)(F)F 225956120 YOMAVYHNBSNNQE-UHFFFAOYSA-N 439.477 6.605 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cn(C)nc5C)C(=O)[C@]4(C)CC[C@H]32)C1 253536037 DXRJBJUDWMWZPC-SATMYULISA-N 436.596 5.185 30 40 IKEB C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 408776763 QLKGKDPQMCNZIW-MTDXEUNCSA-N 430.573 5.872 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OC)c2)S/C1=N\c1c(C)cccc1C 408909042 GFHUCSAIORNVDN-IKMQVZDESA-N 438.593 5.971 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(C)cc1 408912556 NURJMMYDLKRBIS-YDYOOVDUSA-N 434.536 6.797 30 40 IKEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1C 408929782 OCOGVXYOJDDXKR-BLYKWHDGSA-N 441.767 5.758 30 40 IKEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o1 409039005 GDLKEEAHDGOTEF-TXNBCWFRSA-N 433.667 5.222 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccco1 409062248 QQZYBDJGGLLTHW-ZVHZXABRSA-N 433.489 5.385 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)S/C1=N/c1ccc(C)cc1 409160575 UJPOJPUUASYFGQ-JEBQXDLDSA-N 432.501 5.577 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc(Cl)cc2)ccc1Sc1n[nH]c(-c2ccccc2)n1 409194987 RUJILCFIKDYCRT-YDZHTSKRSA-N 435.896 5.935 30 40 IKEB COc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 409211007 LQGRGGVKJBETCY-YDZHTSKRSA-N 436.316 5.520 30 40 IKEB COc1ccc(N=C2S/C(=C\c3cc(C)c(O)c(C)c3)C(=O)N2Cc2ccco2)cc1 409371991 CWRQMFIKRQOHDL-RNUJJHFSSA-N 434.517 5.415 30 40 IKEB CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1531014 DOMWKUIIPQCAJU-FQKQELJYSA-N 428.613 5.970 30 40 IKEB biogenic C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1 3627457 KXNMAIAKSBGCKU-SZNDQCEHSA-N 435.014 5.765 30 40 IKEB COc1ccc(/N=C(/N2CCCCC2)[P@](=O)(N2CCCCC2)N(C(C)C)C(C)C)cc1 8399051 CVZBIJNKNBIRMM-RFVFIGINSA-N 448.592 5.966 30 40 IKEB CC(=O)[C@@H](/C=N/OCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 8781452 NPIVENQXQWFUMU-GMCBVQGUSA-N 448.133 5.647 30 40 IKEB C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc4ncccc34)c(=O)oc2c1 8879630 WHBWCIFZCYWVNJ-UHFFFAOYSA-N 428.488 5.176 30 40 IKEB biogenic Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)Cc2cccc3ccccc23)c1C#N 9390677 ATULNHIVIJZSIP-UHFFFAOYSA-N 440.524 5.582 30 40 IKEB COc1ccc(C(=O)/C(=C\c2cccc(Br)c2)c2nc3ccccc3o2)cc1 9637451 BCUUUDAXHAYMIM-XMHGGMMESA-N 434.289 6.022 30 40 IKEB CN(CCC#N)C(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 12539910 NOJQKLWNCHJVED-UHFFFAOYSA-N 449.510 5.098 30 40 IKEB N#Cc1c(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)sc2c1CCCCC2 12658831 PDTHESGUVCMFFV-BXBLUCELSA-N 447.442 5.951 30 40 IKEB Cc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 17173013 RNQLLXUXWRKUKX-UHFFFAOYSA-N 428.495 5.742 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 33733308 YQMODNPEJLMUOM-INIZCTEOSA-N 426.973 5.209 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3CC[C@]23O[C@H]13 123230761 HXKDHGZOPCTTAY-HKKQRRBHSA-N 444.700 7.171 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)S2)c(C)c1 260573397 YLBNQRPAANMCLU-VLZFXTDASA-N 433.621 6.225 30 40 IKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408691569 FKCJXEQKSNQBLC-WUXMJOGZSA-N 441.752 6.886 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/C3=C[C@H]4C(=O)c5ccccc5C(=O)[C@@H]4C=C3)c2C)c1 408738490 ZOCQXCWYXGJCDZ-HIMRQCANSA-N 434.539 5.895 30 40 IKEB N#Cc1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)cc2)cc1 408970065 ZPTMWZQISBSDDN-HMAPJEAMSA-N 447.416 5.486 30 40 IKEB COc1ccccc1C=Nn1c(-c2cc3cc(Cl)ccc3o2)nc2ccccc2c1=O 409300900 YSFWTMFYUPVEON-UHFFFAOYSA-N 429.863 5.354 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)cc(C)cc1C 1531326735 PMBGPZNHCNFEFA-HZZGJGATSA-N 426.358 5.480 30 40 IKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 1431391 AKLNFTWAEIPCCY-JOCHJYFZSA-N 444.332 5.971 30 40 IKEB COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc3c2CCCC3)cc1 1439899 PTNKFMXZDWPBIY-UHFFFAOYSA-N 443.572 5.547 30 40 IKEB CCCCCCCCCCOc1ccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)cc1 2290058 NRKBSAIZMBPFRO-VUTHCHCSSA-N 444.579 6.280 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)cc1 3050044 YDAPZQJKXIVOJF-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB O=C(COc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2)cc1 3082769 PPDLNYBVGMZYMO-RDRPBHBLSA-N 425.915 7.019 30 40 IKEB Clc1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)cc1Cl 3113788 RAQIBRSPBOYJPL-BHGWPJFGSA-N 446.131 7.315 30 40 IKEB CC[N+](CC)(CCC/C(=N\O)C(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 4808267 RDRXJUPAAVBLKZ-ORIPQNMZSA-O 431.600 5.590 30 40 IKEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1C#N 6177740 UPYPNHOWHLAXOU-KBKYJPHKSA-N 442.350 5.568 30 40 IKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccco1)N(C(=O)c1ccco1)c1ccccc1N2 9264373 IZHRCDYDYOIOKV-IVCQMTBJSA-N 440.455 5.680 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SCCC(C)C)nc(=O)c32)s1 9494402 PDRVXBFJQMIYBD-SFHVURJKSA-N 443.638 5.479 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC 12652783 ATVFAOIDIAAAQS-ZDLGFXPLSA-N 449.956 5.631 30 40 IKEB O=S1(=O)CC/C(=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccsc21 12961627 NWJZVZXSCXCIIX-JAIQZWGSSA-N 429.272 5.067 30 40 IKEB CCOC(=O)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)N(CCC(C)C)CCC(C)C 15906649 QPJPYMLVGISYSL-ZXVVBBHZSA-N 449.945 6.042 30 40 IKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OCC)cc1OC 16682873 XAZKCCIPBRQRHW-JCMHNJIXSA-N 447.531 5.144 30 40 IKEB Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c1 101650308 ZBLYCIJQJADOJS-XGTYDZQNSA-N 436.364 5.200 30 40 IKEB COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1[N+](=O)[O-] 103980623 RDYLLZLRSOEKKY-YSMPRRRNSA-N 449.532 5.224 30 40 IKEB C=C1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 137107108 IOPDFSGGBHSXSV-AUTUQVHRSA-N 442.728 6.996 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1 408559615 ACGWOEMVRIGDQC-UHFFFAOYSA-N 448.979 5.592 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)nc2ccccc21 408692631 RFTQYNXITWOMIB-DHRITJCHSA-N 426.351 6.217 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cccc(Oc2ccccc2)c1 408779651 GWNUEUQFBVCFPO-UYRXBGFRSA-N 441.339 6.677 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1O 409082185 RKYZOWQMVVKFEU-LQLRGMOSSA-N 442.540 5.938 30 40 IKEB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1ccc(F)cc1 409237344 IFFXXQZFUPBTLS-AOFZEWBLSA-N 446.547 6.337 30 40 IKEB COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC/C(=N/O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 606302980 UKXCLLYLCRBBDH-ISXGKIPOSA-N 441.656 6.765 30 40 IKEB COc1cc2c3c(c1)/C(=N/c1ccc(Cl)cc1)C(=O)N3C(C)(C)C=C2CN1CCCCC1 618257112 RKKUTNNSYRRACQ-NFFVHWSESA-N 449.982 5.478 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 1077000 QEBMURGLDOWRRC-FATZIPQQSA-N 441.383 7.034 30 40 IKEB C=CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 1297724 GSAJOYCTDXCTOH-SFHVURJKSA-N 426.607 5.076 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1OC 2120050 YCRSQGDLUVZWJE-XDHOZWIPSA-N 430.913 5.019 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccccc1F 2762221 GQGIMMCFOKBJSU-QRQCRPRQSA-N 425.525 5.202 30 40 IKEB Cc1cc(/N=C/c2coc3ccc(Cl)cc3c2=O)n(-c2ccc(Cl)c(Cl)c2)n1 3290131 ULIAKDRTGCLJKT-PGGKNCGUSA-N 432.694 5.998 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C2/C[C@@H](c3ccccc3)C(c3ccccc3)=C2Cl)c([N+](=O)[O-])c1 5340153 KNFNODSXKGDCHS-CGDDYCGFSA-N 448.866 6.109 30 40 IKEB CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OC 6089734 UYDAAXFSHMLTJY-MRDQGFSESA-N 446.572 6.135 30 40 IKEB Cc1cc(Br)c2c(c1)/C(=N/c1ccccc1Sc1c(C)n[nH]c1C)C(=O)N2 8386344 PRWLKUINVQJXBU-UHFFFAOYSA-N 441.354 5.322 30 40 IKEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1 9422899 ZPUAVDPMXCFVDC-ZMOGYAJESA-N 425.440 5.022 30 40 IKEB Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccncc2)c(Cl)c1 9659614 KQWVCKIENBHDHT-DHRITJCHSA-N 440.359 5.821 30 40 IKEB C=CCn1c(COc2ccccc2)nn(C2c3ccccc3Oc3ccccc32)c1=S 12363679 OUPXVOWCYFSCQC-UHFFFAOYSA-N 427.529 5.922 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1cccc(Cl)c1 12788164 ISWMPWWSGMYECP-CQSZACIVSA-N 431.920 5.199 30 40 IKEB CCN1/C(=C/C=C2/S/C(=N\c3cccc4ncccc34)N(C)C2=O)Sc2ccccc21 15985174 MLYQSWJIORZOBV-ONUWXRSBSA-N 444.585 5.785 30 40 IKEB CCCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OC 16035621 JZQUDYXBJCQZOK-HSZRJFAPSA-N 438.593 5.330 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)CCCc3nc(-c4ccccc4Cl)no3)c2C#N)C1 19816304 JEIZBYACTGUTQR-ZDUSSCGKSA-N 440.956 5.409 30 40 IKEB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(OCC#N)cc3)N4)sc2c1 58851227 KTYBYGCIVMBPPS-VHSZZVNMSA-N 449.579 7.001 30 40 IKEB CC(C)=NNc1nc2c(Cl)cc(NC(=O)c3ccccc3Cl)c(Cl)c2s1 72229015 JBSVEWNYKJNIFK-UHFFFAOYSA-N 427.744 6.317 30 40 IKEB CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OCC)cc2)cc1 100084153 JTXYZNZWIYQPGD-LGUFXXKBSA-N 427.614 5.433 30 40 IKEB CC(C)(C)c1ccc(C(=O)/N=C2/N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 102947679 QEGVOFCGLKLXNS-HPNDGRJYSA-N 448.364 5.591 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)CC(=O)C[C@@H]43)C2)cc1 118914905 IFADLLNZMJESQF-YOQSLYHTSA-N 444.637 5.681 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)S2)c(C)c1 408723717 CSYYEKIEBZVJLU-WOJGMQOQSA-N 430.371 5.024 30 40 IKEB COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC(C)C 408880644 HQOCRTBFMLUELI-JMIUGGIZSA-N 430.957 5.583 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4C)cc3)S2)cc1 408887890 UQJNEPNLCDWFAC-HAHDFKILSA-N 430.529 5.474 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408936317 FOUWXNZTJCULHE-PIHCHOLXSA-N 428.963 7.316 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(OC)c1OC 408938796 RPHGNXZYNHJXIC-WKSIQMIZSA-N 440.543 6.290 30 40 IKEB Cc1cc(I)ccc1/N=C\c1cccn1-c1ccc(N(C)C)cc1 408954298 SIZZWCRXGOPJLX-HMAPJEAMSA-N 429.305 5.207 30 40 IKEB Cc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)N2C)cc1C 408961480 MOKAXUMJELONPU-YRXXGERJSA-N 446.528 5.804 30 40 IKEB CC[C@H](C)Oc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409038548 PESCTAZZDVWRDW-AGAGKTNKSA-N 439.169 5.340 30 40 IKEB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1 3283810 CYAXPKGJAYAHEP-SFHVURJKSA-N 441.531 5.053 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl 6177495 SRSOJXJDJDRYLG-VNNHTSALSA-N 431.319 5.224 30 40 IKEB O=C(O/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccs1 8782216 SYIZLNNGWLYBJQ-FSJBWODESA-N 441.965 5.847 30 40 IKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 8873545 XLLPTQINUBTCAX-NLRVBDNBSA-N 431.561 5.350 30 40 IKEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)Nc1ccc(Br)cc1 8873564 YLXSTDGPKWLPCS-HOTGVXAUSA-N 435.108 5.142 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9144940 XNHVBEDLRGEMGZ-LJQANCHMSA-N 425.271 5.171 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1ccccc1Cl 9313318 YLBHACCMDZAHFA-HHHXNRCGSA-N 442.990 7.157 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 9373724 VONWDIDJWONXBY-AVRWGWEMSA-N 439.511 5.097 30 40 IKEB COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1 9422871 ATICBBYZAXWNOL-ZVHZXABRSA-N 439.467 5.331 30 40 IKEB Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 9423602 CTEWFGVGVMEDSK-FSJBWODESA-N 429.859 5.667 30 40 IKEB C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3c2C1 13133648 XNCFSDXCKWWEHX-JLTOFOAXSA-N 445.975 6.560 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1c(C)cccc1C 14126803 MUUGHHJOAWGHKW-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 14408853 VMJGATWGCNLLKW-WSDLNYQXSA-N 426.816 5.181 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C#N)C1 17095757 VIHRHGHBECSGQB-MRVPVSSYSA-N 428.426 5.719 30 40 IKEB OC(CON=C1c2ccccc2-c2ccccc21)CON=C1c2ccccc2-c2ccccc21 28295653 SEPKHPGBVDMAFY-UHFFFAOYSA-N 446.506 5.247 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O 28536571 LEKUPXHLKIIVCR-FAKJQIDCSA-N 430.629 6.388 30 40 IKEB biogenic COc1ccc2[nH]c3c(=O)n(/N=C\[C@H]4CC=C(CCC=C(C)C)C[C@H]4C)c(O)nc3c2c1 33697570 ZTMKRAFIEVYSGH-FMHQCXGHSA-N 434.540 5.145 30 40 IKEB CCCCCCCCC/N=C/c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 102997150 DHPCQWBBJFVLAM-AFUMVMLFSA-N 438.519 6.376 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1OC 106736780 QXACIUQDEZTNMO-ODLFYWEKSA-N 447.915 5.461 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3n2C)ccc1OCc1cccc2ccccc12 408651638 GZOCKECHEBCNDD-OGLMXYFKSA-N 436.515 5.760 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S/C1=N\c1ccc(C)cc1 408906482 BWEWGVOXGHPSIA-QMSJJHEMSA-N 447.516 6.096 30 40 IKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)ccc1Br 408911991 PGVUILWFDKYWKE-WYMPLXKRSA-N 425.326 5.922 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)N1C(C)C 409203466 YDGIISGVSVKDQG-DBOFRQRBSA-N 432.929 5.387 30 40 IKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(F)cc1 409208729 BTBIYGMHHJXKRJ-RDRPBHBLSA-N 427.475 6.956 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 409218455 VHMKMMGQTXADNV-JFLMPSFJSA-N 430.891 7.039 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)c(F)c2)S/C1=N/c1ccc(F)cc1 409244487 DHZWIJGYALSZOR-YUMIBIHSSA-N 427.520 5.579 30 40 IKEB Cc1ccc(C(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)cc1 887881 FNDLUOVZNOEYAK-UHFFFAOYSA-N 440.528 5.001 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(-c2ccccc2F)o1 2186404 VRIDZDMTQPFRSL-NDEPHWFRSA-N 437.514 7.548 30 40 IKEB O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc(F)cc1 2423517 ASRLMKKVXIYNAT-JJFYIABZSA-N 426.802 5.496 30 40 IKEB CCOc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2cccc(Cl)c2)cc1 2640534 RZVHAQXHAYZXKL-UHFFFAOYSA-N 446.963 6.150 30 40 IKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)Nc1c(F)cccc1F 6444494 PDFQRSXQJZGMQF-UHFFFAOYSA-N 439.531 5.430 30 40 IKEB CCOC1=C/C(=C2/C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)c(C)c2)c2c(C)oc(C)c21 8818389 ZDRSHBNCHHWILB-MRCUWXFGSA-N 443.543 6.323 30 40 IKEB CCC(/N=N/c1ccc([N+](=O)[O-])cc1O)=N\Nc1nc2ccccc2n1Cc1ccccc1 8926068 HHXQGKWNHWLSFT-KAXRPWOPSA-N 443.467 5.618 30 40 IKEB C=CCNc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)s1 9656248 JHUANHFKUKKSHJ-UHFFFAOYSA-N 432.958 5.313 30 40 IKEB C=CCNc1nc(C(=O)OCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cs1 13095562 OKDXBBAZADOXIN-UHFFFAOYSA-N 428.504 5.788 30 40 IKEB C[C@H](c1ccccc1)N1C(=S)N/C(=N\[C@@H](COc2ccccc2)C(C)(C)C)C12CCCC2 15162213 IYPSBYONHMKVCN-OFNKIYASSA-N 449.664 6.143 30 40 IKEB CC1C/C(=C/c2cccc(Cl)c2Cl)C(=O)/C(=C/c2cccc(Cl)c2Cl)C1 15980350 XTGHSTCJEVFVMM-MBKDJOQRSA-N 426.170 7.766 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 18200387 SSCBFLWVNGUNQZ-GOSISDBHSA-N 437.584 5.617 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 19848696 VWRLBXFGNNQUOS-DEOSSOPVSA-N 449.978 5.730 30 40 IKEB Cc1cc2cc(-c3ccccc3)[nH]c2cc1N/C(=C/C(=O)c1ccccc1)c1ccccc1 35326282 WMKDYMSVKYWUOV-ZTKZIYFRSA-N 428.535 7.479 30 40 IKEB COc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@@](C)(c2ccc(Cl)cc2)CC3(C)C)cc1 100117589 IUDYNTLFXDEGGH-MOKCZAGSSA-N 444.962 6.304 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 100224453 IQITXALPSSARCD-JFLMPSFJSA-N 449.959 7.232 30 40 IKEB N#Cc1ccccc1Cn1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc21 408735108 OAHRVWDOCBAHMQ-UHFFFAOYSA-N 436.540 5.817 30 40 IKEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)o1 408815788 SENAOKSYHNBBSE-AUERHCTOSA-N 431.561 5.930 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 408861857 VARQKIGWLCKIEU-NDENLUEZSA-N 435.461 5.063 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2c[nH]c3ccccc23)sc2c1CCCCCC2 408972000 NGSIYBSWGYMDAR-OGLMXYFKSA-N 427.573 6.891 30 40 IKEB COC(=O)c1ccc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2C)cc1 409016151 SNSRDPHVFWVGKE-QUXILYDTSA-N 436.464 5.106 30 40 IKEB CCOc1ccccc1/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O 409092522 WSEZQOKZWMCBBQ-UINIZAEWSA-N 428.557 5.758 30 40 IKEB COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)cc1 409093169 XSPBQQHZORTULE-JTOGBTRBSA-N 446.616 6.911 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C#N)C1 2081836 HGVVCJMXERAYRS-MRXNPFEDSA-N 442.584 6.647 30 40 IKEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1 5593079 QBJPUYTWPQBQQS-XMMPIXPASA-N 427.548 5.780 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)c1cccs1 9047256 WAXGYPVOTDROEF-LSCVHKIXSA-N 440.860 5.103 30 40 IKEB O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 9539528 KZNNSZCBXBIFRV-KRXBUXKQSA-N 429.404 5.034 30 40 IKEB COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1 9547744 QKFNZCMEYWBWMB-MZJWZYIUSA-N 446.555 5.150 30 40 IKEB COc1c2c(cc3c1[C@@H](C/C(=N\O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 36035051 DXIVGIUXGUGYMH-NBHLSZMOSA-N 428.573 5.502 30 40 IKEB C[C@H](O[C@@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 90558083 AFBDSAJOMZYQAI-NBHSMZAVSA-N 437.355 5.628 30 40 IKEB CCOC(=O)C(C)(/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C)/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 100366580 HTMLPIZSIGYYRQ-YJKUVWNQSA-N 426.597 5.459 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc1OC 109593862 FORTUOQSLQETCC-CAPFRKAQSA-N 435.655 6.434 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1OC 408915028 WPKXLOQPOPIABA-GLFPGZLVSA-N 438.593 6.195 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)cc1 408966074 JTLSJAOEALKEFB-MTDXEUNCSA-N 446.547 5.978 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409042571 NLLQWTMWLCLJDR-BHGWPJFGSA-N 435.694 6.885 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 409083845 UQBXMANLANDRFG-POHHJLCXSA-N 430.957 5.761 30 40 IKEB CC(=O)Nc1ccccc1Sc1ccc(/C=N\c2cccc(Cl)c2)cc1[N+](=O)[O-] 409110525 DLGMEYPYSJPIOY-QRVIBDJDSA-N 425.897 6.108 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409200339 HVXPSPHMFBMWLK-AFUMVMLFSA-N 443.952 5.792 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409203819 YZXUUXSSSHFMCW-OPEKNORGSA-N 449.721 7.193 30 40 IKEB C/C=C/[C@@H]1C(C(=O)c2c(O)ncc(-c3ccc(O)cc3)c2O)=CC(C)=C2CC[C@@H](C)C[C@@H]21 514287857 FCQPLAILVSLWDT-CEGFQKHLSA-N 431.532 5.933 30 40 IKEB biogenic,in-vitro N#Cc1c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)sc2c1CCCCCC2 995308 ATMWTIZEUDIWDK-UHFFFAOYSA-N 427.529 6.339 30 40 IKEB CCOc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)cc1 1080213 LUHXGQBPZJLMON-KMRXNPHXSA-N 446.550 6.592 30 40 IKEB COc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1OC 1431055 KIYJJXRAVPWJGD-ZMOGYAJESA-N 437.293 6.025 30 40 IKEB Cc1nc2ccc(N/N=C(/C(=O)Nc3c(C)cccc3C)C(=O)c3ccccc3)cc2s1 2679676 FCKZFSCPMDBEKX-BYNJWEBRSA-N 442.544 5.511 30 40 IKEB COc1ccc(/C=N/n2c(C)n[nH]c2=S)cc1COc1ccccc1Cc1ccccc1 2792182 BFYIIPWEXIGCCM-WGOQTCKBSA-N 444.560 5.310 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)s2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 6407941 GFBWHKMHZFPNDT-QRQCRPRQSA-N 427.591 5.431 30 40 IKEB N#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCc1ccccc1 6446329 PKXJLHGVXHKPKA-UHFFFAOYSA-N 447.390 7.886 30 40 IKEB CC(C)(C)[C@H]1CCc2nc(SCc3ccc(C#N)cc3)c(C#N)c(C(F)(F)F)c2C1 9423332 DXFFEHIMWOHUBZ-INIZCTEOSA-N 429.511 6.287 30 40 IKEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2C#N)C1 9639414 ZYWNNDBIVVDGRY-UHFFFAOYSA-N 447.516 5.179 30 40 IKEB Cc1cc(C)c([C@@H]2C3=C(Nc4c2c(C)nn4-c2ccccn2)c2ccccc2C3=O)c(C)c1 13121865 RJYBIBFTTKYBOH-DEOSSOPVSA-N 432.527 5.666 30 40 IKEB Cc1c(O)ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1O 13756679 QETPIMOLSUEHKE-OPEKNORGSA-N 439.302 5.769 30 40 IKEB C(=N/Nc1nnc(N/N=C/c2c[nH]c3ccccc23)c2ccccc12)\c1c[nH]c2ccccc12 16525473 DHEBSXPPXHNNBL-CMNXJCJSSA-N 444.502 5.484 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 19867071 BVHGKMCFFRAWEG-KBMIEXCESA-N 431.532 5.008 30 40 IKEB CC(=O)C1=C(C)N[C@H](c2ccc(Cl)c(Cl)c2)N[C@@H]1c1ccc(Cl)c(Cl)c1 19943870 FOUPCSKNFATMEY-MOPGFXCFSA-N 430.162 6.096 30 40 IKEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248178 ZIVLHVZBQRBNCC-YSURURNPSA-N 431.275 5.548 30 40 IKEB O=C1C2=C(N=C3C[C@H](c4ccco4)CC(O)=C3[C@H]2c2ccc(Cl)cc2)c2ccccc21 102882307 RNPXVCHPKMMSBO-OYHNWAKOSA-N 427.887 6.469 30 40 IKEB CCCCCCCCCCCCCCCC1=NN(c2ccccc2)C(=O)[C@H]1NC(=O)O 104139693 PBQBQRNJJOCOKK-QHCPKHFHSA-N 429.605 6.507 30 40 IKEB CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Cl 408784042 QUAQMYHIHDXCCN-DHDCSXOGSA-N 427.740 5.937 30 40 IKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1 408803904 UPIGHZSMXHLCRK-VYYCAZPPSA-N 428.410 5.482 30 40 IKEB CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408849796 ZFIRLZOYAJAHLQ-PNKJTKAASA-N 434.605 6.657 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2OCC(C)C)C(=O)N1CC 408912304 MYGJENCNVTVYCR-JUMVDPBBSA-N 438.593 5.916 30 40 IKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1O 408940636 OIIFMJABSPBYFX-JDVLXGQCSA-N 444.962 7.021 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C1=O 409064917 JEPICJDZYQNUMW-WOJGMQOQSA-N 448.313 5.390 30 40 IKEB Cc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)N2C)cc1C 409169934 TUSLBMDBXARUHX-LSRULMOLSA-N 432.501 5.495 30 40 IKEB C#CCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OCC 409208573 GWRKOQPKXPBRPJ-LPYMAVHISA-N 433.289 5.069 30 40 IKEB C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](CC)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037874885 DVSJLIMRGHDJBE-AMEVOLBXSA-N 432.919 6.159 30 40 IKEB C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(OC)cc3)c2c1=O 707048 YCAJRUDURSMIJA-UHFFFAOYSA-N 439.562 5.217 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 712725 CXBANNODYSUWHE-MHZLTWQESA-N 441.527 6.083 30 40 IKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)c1 1840480 SQCRRVCVKFHNGC-OAHLLOKOSA-N 425.623 5.514 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(C)(C)OC3 2260898 CBMGLGXAELNEDX-UHFFFAOYSA-N 448.698 6.877 30 40 IKEB CC[C@@H](C)CCCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 3244150 KLEMNTVKTPEXQB-GOSISDBHSA-N 448.592 5.215 30 40 IKEB CC/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCCCCC1 8385086 YOGWQOHIDGWWFP-MLVIZHJXSA-N 442.412 5.365 30 40 IKEB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccs1 9292214 YWGRSUXLGNTMEC-MFKUBSTISA-N 444.564 5.127 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccco1 9934355 RNCCSISZHQBOIK-XRHLQHRESA-N 442.515 5.599 30 40 IKEB C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 13552747 AIYBPXZYLSVSQS-UHFFFAOYSA-N 435.336 5.796 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)c2C#N)C1 17097406 QRRZFVTZZTZSPU-LLVKDONJSA-N 431.344 6.564 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(F)c1 18179087 VUXPEMRNQDGDKF-PIKZIKFNSA-N 440.518 6.055 30 40 IKEB COc1ccc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 33665644 NJORMWDVDORMNK-YKRMCXMESA-N 440.543 6.073 30 40 IKEB Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 59137122 MGVLEFXSEMOPFK-MTJSOVHGSA-N 439.943 6.087 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)S2)cc1 59145709 WAOVDMXYOBJOCW-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CCCCCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(C)cc1 102136841 JRWHJVBJPMAUGZ-QFIPXVFZSA-N 437.565 5.326 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 102503277 GXLJAAWPPLNJED-QOJBNDRUSA-N 448.475 5.272 30 40 IKEB Cc1ccc(/N=N/C(=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)C(C)C)cc1 103755703 MKOYMYUJFTUVRX-NOKXCCNCSA-N 434.547 7.284 30 40 IKEB CCn1c(N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)nc2ccccc21 408692972 ZTJFWMIFZRYTFW-LQKURTRISA-N 425.511 5.953 30 40 IKEB C#CCOc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408916621 YOLOAMHLRUVTJW-YUMHPJSZSA-N 448.975 6.295 30 40 IKEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408998101 HZMWTZIOBUPJIS-AFUMVMLFSA-N 433.606 5.227 30 40 IKEB CC(C)(C)[C@@H]1C[C@@H](C(C)(C)C)[C@]2(C(=O)OC3=C(C2=O)[C@@H](C(C)(C)C)C[C@@H]3C(C)(C)C)C1=O 409066036 VMDSRARXVSWQPD-BQXVDALFSA-N 444.656 6.379 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C 409208714 CPBPJMZFXAPVKT-ZMOGYAJESA-N 439.309 6.304 30 40 IKEB Cc1ccc(N/C(=N/N=C/c2c(O)ccc3ccccc23)c2nc3ccccc3s2)cc1 1805417 QJDTVBPFRKOORW-JVWAILMASA-N 436.540 6.356 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)ccc3o2)cc1 2186558 JDBFIODEXNKCJN-CCVNUDIWSA-N 447.321 8.121 30 40 IKEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2941315 OERFJZDXUYBERT-HYARGMPZSA-N 438.526 5.101 30 40 IKEB CSc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(SC)cc4)cccc23)cc1 3162081 BXEPJMKQNNEUTF-XUIWWLCJSA-N 426.610 7.785 30 40 IKEB CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 4045883 RAIRZMOPSFWTGI-UHFFFAOYSA-N 446.532 5.557 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 4080056 IENZLPCPVYGBNZ-IVCQMTBJSA-N 435.354 6.973 30 40 IKEB CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)Cc3ccccc3)cc2)cc1 4235578 IHBHTPQPEYZOJB-UHFFFAOYSA-N 448.634 6.030 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(C(F)(F)F)cc1)c1c(nn(-c3ccccc3)c1O)N2 9348919 QYLQTRKLPHWKAH-SFHVURJKSA-N 425.410 5.161 30 40 IKEB Clc1ccc(CN/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 10118687 SKABTCMYJXYJGH-AFUMVMLFSA-N 429.745 5.805 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 13804626 YVZPNBNVFLPMLM-UHFFFAOYSA-N 436.581 5.168 30 40 IKEB COc1c(Br)cc(Br)cc1C(=O)Nc1sc(C)c(C)c1C#N 14273247 SUJHCCIFXDFCEX-UHFFFAOYSA-N 444.148 5.023 30 40 IKEB CCOc1ccc2c(c1)O[C@@](c1ccc(C)cc1)(C(F)(F)F)N/C2=N\c1ccc(C)cc1 15906388 GMEVLFVWDPZVRC-DEOSSOPVSA-N 440.465 6.178 30 40 IKEB CCCC/N=C1\S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CCCC 35041985 XSTYDVLLNAFZAJ-BLFRMDKKSA-N 427.526 5.727 30 40 IKEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OC2CCCC2)N1 36611841 RFHRBOLSRLMGIF-AREMUKBSSA-N 438.527 5.656 30 40 IKEB C=CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 208866928 OJHJQEPKNQKVRP-LDADJPATSA-N 441.325 5.219 30 40 IKEB Cc1cc(/C=N/C2=C[C@@H]3C(=O)c4ccccc4C(=O)[C@H]3C=C2)c(C)n1-c1ccc(N(C)C)cc1 408740700 LUTAOULZXCBFKV-KZAQHKBISA-N 449.554 5.344 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OC)c2)S/C1=N\c1cc(C)ccc1C 408909762 IBAXHBRRRDATRQ-WRIATZMJSA-N 438.593 5.971 30 40 IKEB CCCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 409050109 YWQBWLSFEBCZPM-UHFFFAOYSA-N 434.363 5.825 30 40 IKEB C=CCn1c(C)c(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c2ccccc21 409055251 YALXGVYKTBTQOE-JCMHNJIXSA-N 436.508 5.390 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(Br)c3)c2)cc1C 409381550 GJOPLSWPEGQJHY-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)c1 662163 YZBLQCRZFWLMQD-UHFFFAOYSA-N 443.450 5.378 30 40 IKEB CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 2752753 WHMZWEKRMVITAW-NRFANRHFSA-N 443.355 5.773 30 40 IKEB Cc1c(C(=O)N(C)C)sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C#N 2772641 MFCAKOYNESSODM-UHFFFAOYSA-N 438.361 5.404 30 40 IKEB COc1ccc(C(=O)Nc2ccccc2Nc2cc(-c3ccccc3)nn2CCC#N)cc1 3300701 SADHRQDADJZCDP-UHFFFAOYSA-N 437.503 5.468 30 40 IKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCC(C)CC1 4028887 ZGHHYFNDDMTZKI-VUTHXJGOSA-N 441.656 6.396 30 40 IKEB biogenic COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC 8830077 NLZRIDQQYQHPRR-OPEKNORGSA-N 436.821 5.279 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C 9043379 QNFJCCBMDFQFHQ-NRFANRHFSA-N 432.545 5.666 30 40 IKEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)n1 9254097 IUSIAUWTNWZJGK-LBPRGKRZSA-N 435.288 5.052 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(N2CCCCCC2)o1 9261362 ZTACLTQPBXAYSE-FOWTUZBSSA-N 436.364 5.858 30 40 IKEB N#C[C@@H](Cc1ccccc1)Sc1nnc(COc2ccccc2F)n1-c1ccccc1 9353474 SWDPUKFADHXPSR-HXUWFJFHSA-N 430.508 5.212 30 40 IKEB COc1ccccc1/N=C1\S[C@@H](C)CN1C(=O)CC(c1ccccc1)c1ccccc1 13137797 UBURXNZSHLPITJ-HNQMNILESA-N 430.573 5.869 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1Cc1ccccc1 13303951 VTHCPHUYQRIFCF-SLJQUXCSSA-N 443.597 6.169 30 40 IKEB CC(C)(C)C1=C[C@@]2(Oc3cc(C(C)(C)C)cc(C(C)(C)C)c3O2)C(C(C)(C)C)=C(O)C1=O 13510938 DCQDNCVZSDHESB-NDEPHWFRSA-N 440.624 7.163 30 40 IKEB Cc1cc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1NC(=O)c1cc2ccccc2o1 32114511 KFRMCGNCVGQIGH-BRJLIKDPSA-N 449.850 6.011 30 40 IKEB O=C(/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(Cc2ccccc2)s1 36611169 KHGLPLOZAIJRQG-FYWRMAATSA-N 440.564 6.896 30 40 IKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 36611331 FXRQDCQTUQKCFA-LSFURLLWSA-N 426.876 5.344 30 40 IKEB CCCCCCCCOc1ccc(/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 100567490 AZHFWQVWYYJOCS-LHLOQNFPSA-N 439.556 5.921 30 40 IKEB Oc1ccccc1[C@H]1O[B@-]2(c3ccccc3)Oc3ccccc3[C@@H](O2)P1c1ccccc1 245380770 LAMSCGQCKVKHMM-XZPDZZALSA-N 439.236 5.182 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 408593799 RKNWCNCECMLNRX-XODNFHPESA-N 436.298 5.866 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O 408934602 BKOAEVMCLLJQFL-UBPLPKOYSA-N 430.935 6.631 30 40 IKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1O 408940644 OIIFMJABSPBYFX-QFCIWXFXSA-N 444.962 7.021 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)S2)cc1 408959953 BBISRUDBOKHPCV-HYARGMPZSA-N 445.500 5.374 30 40 IKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1C 408960144 CJHYTTMHYQYONR-SRZZPIQSSA-N 439.943 6.087 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)o1 408962302 YJIXIPYPQKRGAX-OCSSWDANSA-N 439.555 7.172 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409110470 WHISLCRPKAMJSQ-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1 409275470 JNHGHCQFKAMVHX-UHFFFAOYSA-N 449.352 5.129 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1 949374 WHOUHYVNOIUUCL-UHFFFAOYSA-N 429.354 5.849 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 1015276 KOFFAKITKZDDMI-HZHRSRAPSA-N 431.513 5.650 30 40 IKEB COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2C)c1O 2257248 XATOCZXWRYBSIQ-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)c3ccc(C)c(C)c3)n2)cc1 6246038 SXVQTZLCZCVDJI-UHFFFAOYSA-N 448.591 7.188 30 40 IKEB COc1cc(C(=O)/C(=C/c2cccc(Cl)c2)c2nc3ccccc3o2)cc(OC)c1OC 8437050 CEDGMPQHEBUTKF-PDGQHHTCSA-N 449.890 5.931 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1C 8820972 OWTHUTYNLCBQHZ-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB N#Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c(F)c1 8831835 WKBSVWXAMNBKAX-UHFFFAOYSA-N 442.302 6.533 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 9191628 QZJAJWSFAMOGSR-MYUZEXMDSA-N 442.515 5.599 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1Cl 9499961 VJJSHCPNRQQKBD-UHFFFAOYSA-N 447.391 5.786 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 9851594 PRYOEAHVBRFDGW-BJUXRVGASA-N 434.348 5.140 30 40 IKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2c(Cl)cccc2Cl)n2c(nc3ccccc32)N1 12416594 CFSPBNVFVLNTSC-QFIPXVFZSA-N 434.326 6.515 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c(OC)c1 13567956 CRGIRJKXMSNYRC-MRXNPFEDSA-N 429.875 5.024 30 40 IKEB Clc1ccccc1-c1nc(N/N=C/c2ccc(Br)cc2)c2ccccc2n1 13756951 KGTDCOZSANZICY-ZMOGYAJESA-N 437.728 6.159 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 17096079 ZBFJZKMDAYPMIR-KWPJTZOTSA-N 428.557 6.280 30 40 IKEB CC[C@@H](C)c1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c(O)c1 18192893 RTRFFZMSJVVNDA-KSXCTLEASA-N 438.365 6.715 30 40 IKEB N#Cc1c(N)nc(SCc2ccccc2Br)c(C#N)c1-c1cccs1 19852224 DWVYKVKSJMWFES-UHFFFAOYSA-N 427.352 5.190 30 40 IKEB CCOc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 32984261 YCLRVEPDEZWWQZ-UHFFFAOYSA-N 433.529 5.352 30 40 IKEB O=C(C1=CN(c2cccc(Cl)c2)c2cc(F)ccc2S1(=O)=O)c1ccc(Cl)cc1 32984401 VJBCJJVZTSWRFD-UHFFFAOYSA-N 448.302 5.782 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 34688512 AWIUKRRXXLKOBR-OTZYPNAKSA-N 448.910 5.015 30 40 IKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 58989289 FLRHLDIIQIUPTO-QGZVFWFLSA-N 426.259 5.809 30 40 IKEB COc1ccccc1-c1nn(-c2ccccc2)cc1/C=N/Nc1c(Cl)cccc1Cl 83982705 BMQVKGNBIOXWDR-VULFUBBASA-N 437.330 6.301 30 40 IKEB CCCCCCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 100863963 NJXMPBSODVQNTN-RUZDIDTESA-N 432.696 8.917 30 40 IKEB C(=C\c1ccccc1)\C=N/c1ccc(CCc2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 104138598 VYZDRRDDEMEWKP-FWYYIZQFSA-N 440.590 8.303 30 40 IKEB Oc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1Br 109502492 BFHGJTOLMYNKJX-AUEPDCJTSA-N 443.684 6.073 30 40 IKEB C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 169159617 IAYSUJZOMXPJEU-UHFFFAOYSA-N 435.564 5.103 30 40 IKEB C=CCO/N=C(\CCC)[C@@H]1/C(=N\OCC)C[C@H](C[C@@H](C)SCC)C/C1=N\OCC 257345405 MSKXSYDVWIKAML-OOWCIHJUSA-N 425.639 5.688 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 408576717 ZONLUVJHCDFFFQ-UHFFFAOYSA-N 431.875 5.129 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408593486 PXIVSFMOMJVBOQ-KKMKTNMSSA-N 445.733 6.648 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c1 408595340 WFCKEJOPFMRMBH-LQKURTRISA-N 435.483 6.302 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1OC 408865462 ASYUCBFXRNCRTL-NRGMOFNHSA-N 436.577 5.887 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408934465 AXZLGUIZJPHXLA-QSKSHKASSA-N 445.360 6.732 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4CC)c3C)S2)cc1 408960824 OJSZGQDJWJQQTD-JLPGSUDCSA-N 443.616 6.419 30 40 IKEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1ccccc1Cl 408979683 NZLQWTYAKUTRIF-UHFFFAOYSA-N 433.939 5.712 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)c2c1 409005985 GTECTGMEOQBDHZ-MZJWZYIUSA-N 447.560 5.170 30 40 IKEB CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(C)C1=O 409057280 VJMZTRSNWAGDIK-HPJGCCTDSA-N 430.913 5.061 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2cn(CC)c3ccccc23)C1=O 409133370 SXBZLJDNMOMYKH-STZFKDTASA-N 432.545 5.513 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCC(=O)O)c(C)c1 409200855 JRQXWZQYERRJJF-DNTJNYDQSA-N 441.119 5.042 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(C(C)C)c1C 1531319464 WQUJWACLJNRLBE-ZMOGYAJESA-N 443.389 5.383 30 40 IKEB COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 1389519 CTIPLYGVRCKMJB-XIJKMBGTSA-N 431.488 5.157 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\C(=O)Nc4ccccc43)C(=O)N2c2ccc(C)cc2)cc1 1750623 IZYQENPJHGQEQI-LWTODMHQSA-N 425.513 5.434 30 40 IKEB C=C(Br)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1830077 NJGASNYDZXBICW-UHFFFAOYSA-N 448.455 6.318 30 40 IKEB O/C(=N\c1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)F 2761181 LWVQFAVRWYJTLP-UHFFFAOYSA-N 448.363 6.898 30 40 IKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 2821068 LMEVAUJPKWSHFG-ASIDMNOUSA-N 443.246 6.311 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccccc3)n2)cc1 6246241 QHOBASUDHUUCIO-HXUWFJFHSA-N 449.579 6.715 30 40 IKEB N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCC2 9034249 QPNJNFARZCHREM-UHFFFAOYSA-N 434.948 5.598 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 9085911 ZSLQAZFYMCBOJZ-HXUWFJFHSA-N 434.835 5.031 30 40 IKEB Cc1ccc(Cn2c(C)c(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)cc1 9197821 OJVICJDETFPTSD-CCVNUDIWSA-N 436.386 6.737 30 40 IKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cc2cc(C)ccc2nc1O 9292902 CZJCOVRUHFWGSY-CCVNUDIWSA-N 434.503 5.238 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccc(F)cc2)cc1 9546506 JBTUOHMTNWAOJK-HFJWLAOPSA-N 439.490 5.600 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Br)s1)OCO3 12349569 NTBFWGIIHHNSGF-SFHVURJKSA-N 432.339 5.440 30 40 IKEB Cc1ccccc1N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl 13688507 KWXRSGIREHELFM-UFFVCSGVSA-N 436.762 5.128 30 40 IKEB O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 17282215 ZPDZJAANZQTWKI-WELATPIXSA-N 435.346 6.258 30 40 IKEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 20265511 SZBKTYJOIYIFHI-DEOSSOPVSA-N 448.607 5.213 30 40 IKEB N#Cc1cc(-c2nc(-c3ccccc3)cs2)c(N)nc1SCC(=O)Nc1ccccc1 25572524 NCSRKFWFZOZKQN-UHFFFAOYSA-N 443.557 5.057 30 40 IKEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccc(C2CCCCC2)cc1 27028494 PKEIJLVSNOHLEI-UHFFFAOYSA-N 431.575 6.239 30 40 IKEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)(C)C)cc1 35164404 XVCZZTNVZCSBSX-DEOSSOPVSA-N 442.644 5.561 30 40 IKEB COc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 59678469 QSFOXZFRFNUYHH-DHRITJCHSA-N 425.868 5.385 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc1 97967191 FNBOUBNCTYESDH-XLNRJJMWSA-N 443.012 6.971 30 40 IKEB O=[N+]([O-])c1ccc2c(/C=N/c3cccc(-c4nc5ccccc5s4)c3)c(O)ccc2c1 100502405 YLAYICMIVDQPCF-AFUMVMLFSA-N 425.469 6.481 30 40 IKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)/C(=N/O)C[C@]4(C)[C@H]3CC[C@@]21C 118931834 PATCHQOVVGUAJQ-AKGWWEQBSA-N 441.700 7.673 30 40 IKEB C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 224564609 KHSUQJNFWAKBBC-UHFFFAOYSA-N 438.574 5.326 30 40 IKEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(Cl)cc1 408593026 OETDNRRKSQAWBS-UVHMKAGCSA-N 441.314 6.003 30 40 IKEB C(=N/c1ccc2ccccc2c1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408731281 JJAKBNYBTYHHOD-JGRMKTMXSA-N 448.569 8.715 30 40 IKEB CCOC(=O)c1c(/N=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)sc2c1CCCC2 409066488 VSVBIMATZRUSRK-QFEZKATASA-N 437.517 5.601 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc2ccccc12 409215430 YQIUAMKCEMQVHN-STBIYBPSSA-N 429.947 7.530 30 40 IKEB C=CCc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OCC)c1OC 409215484 ZSNLRQCNAVZJAZ-IHQKUFHXSA-N 436.621 6.657 30 40 IKEB COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 709526 GCVGKBWXCHEOJV-MYUZEXMDSA-N 426.516 5.683 30 40 IKEB Cc1cccc(OCCOc2ccc(Cl)cc2/C=N/NC(=S)Nc2ccccc2)c1 2850022 GUWVYLYHOQMPDP-PCLIKHOPSA-N 439.968 5.427 30 40 IKEB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 3293672 QNHJNKBAGKZWQL-SFHVURJKSA-N 444.556 6.018 30 40 IKEB N#Cc1ccc(-c2csc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)n2)cc1 3306500 VKRXMNUAKMDOCH-UHFFFAOYSA-N 430.341 6.456 30 40 IKEB N#Cc1c(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)sc2c1CCCC2 8451280 JMNZLRJNUCCLSS-UHFFFAOYSA-N 436.587 5.671 30 40 IKEB O=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1cccc(Cl)c1Cl 9272138 JPORGMDGWOQHJJ-CYBMUJFWSA-N 430.154 5.218 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)SC1=S 9310376 IOSPOYIUCWSUSW-GIDUJCDVSA-N 430.765 6.294 30 40 IKEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2cccc3ccccc23)c1C#N 9390675 XOUZKYYFRKODRK-UHFFFAOYSA-N 426.497 5.653 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)Nc1ccccc1S2 12566316 DSJYWMYLPQTSSY-ZRDIBKRKSA-N 429.928 7.704 30 40 IKEB FC(F)Oc1ccccc1/C=N/Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12 13301612 YMLWIUXWMNGENR-NUGSKGIGSA-N 431.657 5.504 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1O 16688206 HNQIUOQPDDNNDU-WYMPLXKRSA-N 436.855 5.646 30 40 IKEB Cc1ccc(Cl)cc1N/C=C1/C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 20575625 KPCGRNADXADCIT-UNOMPAQXSA-N 444.965 5.196 30 40 IKEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccc(Br)cc1 27526343 UPRDSRYPRDLHBG-UHFFFAOYSA-N 444.780 5.468 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)c3)nc2c1 38180040 LTJXEVZOTRRJBI-JOBSNELWSA-N 429.476 6.681 30 40 IKEB CCCCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)c(Cl)c1 68568979 XBVRACMBTSXNQO-ZQHSETAFSA-N 429.048 9.618 30 40 IKEB CCCCOc1cccc(C(=O)Nc2c(C)cc3nc(N/N=C(/C)CC)sc3c2C)c1 72228695 HPVFNCOLFIFGEB-YUMHPJSZSA-N 438.597 6.542 30 40 IKEB CCCCCCCOc1ccc(N=[N+]([O-])c2ccc(OCCCCCCC)cc2)cc1 100015204 RFRFUCJJSRXPEE-UHFFFAOYSA-N 426.601 8.311 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1OC 100224992 UJPJRKNWBKBOKH-PFMNSIPKSA-N 436.577 6.031 30 40 IKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 102799929 DAAUOTKSHYACPX-NHFXJNLRSA-N 442.353 5.451 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(OC)cc4)NC3=O)c2C)cc1 408758871 SWXMIORJHQIOBU-HAHDFKILSA-N 431.561 5.557 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 408776567 VZORCWFPTRXOQA-NDENLUEZSA-N 442.371 6.293 30 40 IKEB O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1Cl 408799082 JSIQFLBBYCQYIN-WKIKZPBSSA-N 432.829 6.127 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccccc1C#N 408913654 MSZJRGXTORWKNG-UHFFFAOYSA-N 429.859 5.262 30 40 IKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC 408943935 SSTSGKJPRNWSDI-JCZPZKDPSA-N 438.571 7.061 30 40 IKEB CC[C@@H](C)Sc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409037221 MEQODCIMWASLBW-UGGZHSSNSA-N 426.401 6.444 30 40 IKEB COc1ccc(OC)c(/C=N/c2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)c1 409040547 GQSLSQFLHQAFBH-LSHDLFTRSA-N 445.338 5.253 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409045789 IAMXOHNVPYIWHW-VXLYETTFSA-N 440.091 5.435 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)cc2)cc1 409203921 ZYFPQVUKFNCPBB-MTDXEUNCSA-N 439.515 6.040 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 2063670 YSOPWYFBRTXKDH-IBGZPJMESA-N 432.358 5.006 30 40 IKEB O=C(NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 2271484 QVNHQPDINOURHE-UHFFFAOYSA-N 449.153 5.795 30 40 IKEB Cc1ccc(NC(=S)N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)c(C)c1 3342540 ODHIEOXAGCAVSC-IKUAJVDWSA-N 446.620 5.039 30 40 IKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21 8450494 FKXSELWWZVAVTQ-JUMVDPBBSA-N 445.544 5.238 30 40 IKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820950 UBBKYNLYLDXVGE-WOJGMQOQSA-N 448.853 6.510 30 40 IKEB O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1 8854667 MWXOYKBNFIYWBT-HHHXNRCGSA-N 448.497 6.163 30 40 IKEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cc(C)n(-c3ccc(C#N)cc3)c2C)S1 9850045 UZZCPPWEQNVDDW-WSDLNYQXSA-N 446.963 5.819 30 40 IKEB FC(F)(F)/C(=N/C1(C(F)(F)F)Oc2ccccc2O1)Oc1ccc2ccccc2c1 13302854 YIPXFLFQKYYGPY-PKAZHMFMSA-N 427.300 5.867 30 40 IKEB CC(C)N(C(=O)C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccccc1 13770107 VQFQKSYEZHIOJE-UHFFFAOYSA-N 429.371 5.137 30 40 IKEB O=C1/C(=C\c2ccsc2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 32109635 MNAPSWWVQNPFKX-DDOPLPCHSA-N 429.570 6.076 30 40 IKEB O=C(O)c1ccccc1/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 59500698 UTOAKQGTXBFZOK-DHRITJCHSA-N 435.888 6.223 30 40 IKEB Cc1ccc(/N=C\c2cc(Br)cc(I)c2O)c(C)c1 102648736 FCDVGNSNPXXYGR-LSCVHKIXSA-N 430.083 5.127 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 102860205 LSMHGTKATUANNY-AYWGPLOBSA-N 429.516 5.507 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2CCc2ccccc2)cc1 106714417 OQTDJJNPAGHXHE-LQLRGMOSSA-N 442.540 5.540 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)cc1 118915048 HNTMKSKJRZRWKS-NDWTWJMBSA-N 444.637 5.681 30 40 IKEB N#CC1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4Cl)C3)cc2)CC1 225907506 JCWYTDPPMGLNBY-QGZVFWFLSA-N 428.363 5.399 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC 408823321 NTMSMOVGGCAUMS-ATVHPVEESA-N 430.323 5.427 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S/C1=N\c1ccc(OC)cc1 408937516 QXRDEJVFJFRPHZ-DZNDYGJHSA-N 444.556 5.613 30 40 IKEB Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 408970088 AGCGJGPYMPNQRF-OGLMXYFKSA-N 441.600 7.200 30 40 IKEB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2O)C2=C1CC(C)(C)CC2=O 409031402 AMBQBTWSUPSVMM-UHFFFAOYSA-N 441.999 6.141 30 40 IKEB Clc1ccc(Sc2ccc(/C=N\c3ccc(I)cc3)cc2)cc1 409073127 XKVZMEPPUXNUGC-XKZIYDEJSA-N 449.744 6.846 30 40 IKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1C 409082922 UEQUZGDYIAZPBK-DVCVSJLKSA-N 443.660 7.546 30 40 IKEB O=C1Nc2ccc(Cl)cc2C1=Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2 409117614 PLVUQOOMTBFEGP-UHFFFAOYSA-N 436.924 5.001 30 40 IKEB Cc1ccc(Cn2cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c3ccccc32)cc1 409208756 BXWCXDLTCYQVNV-JAYUVETPSA-N 431.605 6.087 30 40 IKEB COC(=O)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC 924067 JOYACLAZUNGSGP-RUZDIDTESA-N 442.515 5.340 30 40 IKEB CCCCCCCOC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 2334895 VAKSSZJZCBSMCS-GOSISDBHSA-N 430.552 5.903 30 40 IKEB COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1Br 3184465 QSKVIGSLLCJWQV-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCC1 6202538 FSLAVQGJZYEXIY-BMJBQGFASA-N 427.629 6.150 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 9370576 UDEBWDUBFAUXAA-NRFANRHFSA-N 448.862 5.340 30 40 IKEB Cc1cccc(N2C(=O)S[C@@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)c1 13739575 RNPHZSIDLTYYAZ-OAQYLSRUSA-N 433.558 6.054 30 40 IKEB aggregator C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OCC 16688995 YRTSSXJMYHLSKV-STZFKDTASA-N 425.575 5.360 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c(O)nc(SCc3ccccc3)nc1N2 17189571 BPTXLLNOTVPMHX-IBGZPJMESA-N 449.963 5.692 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 18188716 GGXZFQFEPIKPTM-WTYVLRPYSA-N 440.518 6.136 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C(/C=C/c2ccc(Cl)cc2)c2cccs2)c([N+](=O)[O-])c1 26442358 CWGVYKILAOKCSB-HFYBAYOISA-N 428.857 5.748 30 40 IKEB CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)S2)cc1 33713571 JMTDRUQQMPIFQC-HZHRSRAPSA-N 448.975 6.373 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 34354379 VEEBKUQFPONGGR-NGYRYOBISA-N 444.700 7.171 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C\c2ccc(Br)cc2)sc2c1CCCC2 58826569 BAMSHMXSVSASMK-MSXFZWOLSA-N 443.366 5.663 30 40 IKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59678541 WKXGNPBFXQZHPW-CVKSISIWSA-N 433.508 5.087 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1C 83295170 GXZJOPPAXYVHSC-JAIQZWGSSA-N 443.355 6.762 30 40 IKEB CCCCCCCOc1ccc(CNc2cccc(OCCCc3ccccc3)c2)cc1 100037660 POZAUMQCKDJDJO-UHFFFAOYSA-N 431.620 7.660 30 40 IKEB Cc1nn(-c2ncc(-c3ccccc3)s2)c(O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 100553765 XMOVENFEOFREAM-OAQYLSRUSA-N 445.935 5.458 30 40 IKEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102864503 CTHXWBFZDBUQQK-WOOAAIBNSA-N 438.936 5.348 30 40 IKEB N#Cc1cn(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12 226361866 WQFHWIHRJSKLOC-UHFFFAOYSA-N 436.221 5.132 30 40 IKEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 260566824 XZQZAXHHVZOPSO-OAQYLSRUSA-N 448.588 5.176 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N\c1ccccc1 408861418 ACHIYFXGYVAKER-OTJXPETNSA-N 445.382 6.225 30 40 IKEB COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O 408875834 LSLGYPKGWOLNMY-JAQKPBQMSA-N 440.996 6.531 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(F)cc1 409110557 WKUHGIMDNLBXMZ-UHFFFAOYSA-N 439.958 7.106 30 40 IKEB CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 409210970 MGWSFIRZRBDQNH-AWQFTUOYSA-N 431.555 6.323 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(C(C)C)c1C 1531333648 ZMOJEBLOLYBLMX-REMUQMNCSA-N 443.389 5.554 30 40 IKEB CC(C)Oc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385901 ZUCJZMQIHSAGNS-RDRPBHBLSA-N 433.511 5.886 30 40 IKEB CC(C)(C)c1ccc(O)c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C(C)(C)C)ccc2O)c1 2171432770 HRDGACHRSXGBGL-PHOWZXOYSA-N 434.624 6.542 30 40 IKEB COc1ccc(Br)cc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 861340 ZKGXJKIIAPUVFS-OAQYLSRUSA-N 427.342 5.680 30 40 IKEB O=C1/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N2CCC1CC2 1688578 RKAOPLBUCFQQNR-KOEQRZSOSA-N 425.528 5.480 30 40 IKEB O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cccc(Br)c1 2060049 DREXLKILYVSAOE-MOSHPQCFSA-N 437.314 5.998 30 40 IKEB O=C(c1cc(F)ccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2 2306127 AJJLZQJXFPNRAY-ZEQRLZLVSA-N 440.854 5.247 30 40 IKEB COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\N=C2/C=C(C)CC(C)(C)C2)N=C1O 8385296 ZYRJTFHKLASHHY-NFXIUMSZSA-N 448.976 5.227 30 40 IKEB CCc1ccccc1/N=C1/S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C 9305399 FPTGZPMOTJGPMO-ASAQIREPSA-N 447.516 5.959 30 40 IKEB CCOc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1OCc1ccccc1 11990460 CWYGGVVOXBCACQ-JVWAILMASA-N 444.560 5.430 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1OC 14406286 RSUUGFSWVFDJQF-LICLKQGHSA-N 427.294 5.312 30 40 IKEB CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccccc4Cl)CC3)ccc21 20058091 DXPJGVXTPCXBRN-MTDXEUNCSA-N 430.983 5.620 30 40 IKEB C=CCN(C(=O)c1cc(-c2cccs2)nc2onc(C)c12)c1nc2c(s1)CCCC2 21382532 CTVBDONORVIBII-UHFFFAOYSA-N 436.562 5.428 30 40 IKEB CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1cccc(C(=O)O)c1 35656867 KEDPCSVQNCYEIK-JUMVDPBBSA-N 444.512 5.198 30 40 IKEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2ccccc2N1CCOc1ccc(Cl)cc1 46084761 DDCCZUJQAYEOPE-QLYXXIJNSA-N 426.303 5.235 30 40 IKEB Brc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59475120 TZBDVGWBKXTROT-BUVRLJJBSA-N 434.362 6.686 30 40 IKEB CCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 210979746 QRYZHDJERSNDKP-CFRMEGHHSA-N 434.392 7.132 30 40 IKEB Cc1c(Br)c(/C=N\C2CCCCC2)c(C)n1-c1ccc(Br)cc1 408857321 UHMQYKZNEZLPSL-UUYOSTAYSA-N 438.207 6.371 30 40 IKEB COc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Cl 408963288 YUSIFMGQRZQDPE-NTUHNPAUSA-N 448.158 6.200 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409201773 OAHXBIIKMPOBSY-BRJLIKDPSA-N 445.302 6.548 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cccc(Cl)c2C)c1 409209537 GHSMOOUZDOSQKJ-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2104437 YWTTXIPPIQOKRK-DHRITJCHSA-N 428.439 5.828 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 2453493 IAFRDBHDFBUYHJ-UHFFFAOYSA-N 436.581 5.168 30 40 IKEB CCn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 2791617 WGWGVQRXUWIMDA-LLVKDONJSA-N 435.391 5.002 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 8743751 BYVTVBKHZVAONA-OMHSXHNCSA-N 429.903 5.831 30 40 IKEB COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 9303622 RPOPSLBFHDWMSK-ZDLGFXPLSA-N 431.282 5.025 30 40 IKEB FC(F)(F)c1ccccc1NC(=S)N/N=C/c1c[nH]c2ccc(Br)cc12 13098686 WLSYNJKMBJKXDP-NUGSKGIGSA-N 441.276 5.270 30 40 IKEB CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 14066220 ZCBFXFOIOCFPBC-LJQANCHMSA-N 439.533 5.163 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C#N)C1 17096127 QDCGXDOIVZLMAF-JQHSSLGASA-N 428.598 5.547 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCCC3)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1 19638855 GVSWZUGWKHMTRH-DZNDYGJHSA-N 443.572 6.074 30 40 IKEB CC[C@@](C#N)(CCC[C@H](N)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 60249009 FXLNXOBHZFCAMR-LVXARBLLSA-N 440.584 5.023 30 40 IKEB COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O 100933744 BJONPJXGOYZKPA-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB COc1ccc([C@@H]2CC3=NC4=C(C(=O)c5ccccc54)[C@H](c4ccc(C)cc4)C3=C(O)C2)cc1 102580660 ALQJVCLZXJUQKW-FQRUVTKNSA-N 447.534 6.539 30 40 IKEB COc1cc(/C=N/c2ccccc2Br)ccc1OC(=O)c1ccc(F)cc1 102934973 GQEVWWWCYNKIMB-ZMOGYAJESA-N 428.257 5.567 30 40 IKEB Cc1ccc(/N=C2\SC(=S)N(CCC[N+](C)(C)C)\C2=N/c2ccc(C)cc2)cc1 102938668 GJIIXKFWGOIYRD-NUJSLWOLSA-N 425.647 5.494 30 40 IKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408591309 JOXRXHQNLKXIEY-AFUMVMLFSA-N 440.883 5.777 30 40 IKEB C=CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1C 408597333 YIZBIOUKPVMRGO-UHFFFAOYSA-N 444.560 5.236 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 408875806 HSSWTNQIVGYAOE-ZMCYPXNOSA-N 436.577 5.887 30 40 IKEB Cc1cc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c([N+](=O)[O-])cc1C 409040551 SSLQBMZFBUTBIK-VAPIAZESSA-N 427.276 5.186 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC 409056048 DQJHKKHLFWMWNY-BOPFTXTBSA-N 436.316 5.808 30 40 IKEB CCOc1cc(/C=N/O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409085380 YYOMSOQXXKQKPZ-ODCIPOBUSA-N 449.179 5.375 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409207971 DMLPHFJIOYPFBN-LGJNPRDNSA-N 443.330 6.079 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 409214027 WXSPZXOKSHHTKG-JFLMPSFJSA-N 436.939 5.988 30 40 IKEB C=CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 409360760 NDBSRTDOQWPXBZ-UHFFFAOYSA-N 442.585 5.076 30 40 IKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 2134711 JONRCRQRQIPHPJ-PSHHWHLWSA-N 444.870 5.883 30 40 IKEB biogenic COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1OC 2402787 TWUOKPVJUXEASD-MTJSOVHGSA-N 436.847 5.193 30 40 IKEB C=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21 2957248 XOARQXKDLXPBEC-KQWNVCNZSA-N 448.613 5.670 30 40 IKEB CCCOc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1 4015890 WYIGXMWSNDTVFP-TURZUDJPSA-N 438.531 5.775 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(C)cc1 9197112 OYXIIZNWQLJKLC-LGJNPRDNSA-N 429.347 6.013 30 40 IKEB CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccccc2)cc1 9546509 ACPGPSJEZKUOPU-SKCUWOTOSA-N 433.555 6.575 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc4c(cc3OCC)C[C@H](C)O4)c12 12681237 NQHLJROAYVULNT-FLVLSHQESA-N 441.531 5.402 30 40 IKEB COc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCC#N 13914800 GCUZUQMSLWDUCZ-ZVBGSRNCSA-N 429.101 5.113 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c2ccccc21 28182630 FPSKOHSZTNPLJA-XKZIYDEJSA-N 433.504 5.306 30 40 IKEB Brc1ccc(-c2csc(N/N=C\c3ccccc3Br)n2)cc1 31854461 QIYQLUAMRDBKIT-OCKHKDLRSA-N 437.160 5.781 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O 51366954 FMMOZPPXADXNAA-FAZMWWMKSA-N 448.361 5.222 30 40 IKEB Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116693 VXXQPKFZFZBFBR-CIAFOILYSA-N 445.260 5.358 30 40 IKEB Cc1cc(C)cc(N/C=C/c2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 100922335 YVRRLGLZKDJPAI-VAWYXSNFSA-N 445.497 6.670 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@H]3c3ccco3)sc2c1 102805145 HGMBSJAACADSDG-YDJIHCHBSA-N 430.485 5.078 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 408702577 KMEFRAWXICYJRE-WVKUQPHVSA-N 447.575 5.603 30 40 IKEB Cc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(Cc3ccccc3)C1=O)OCO2 408905790 DXFNEBIDZLGYJQ-WRIATZMJSA-N 428.513 5.528 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 408963685 OLFUCTQZWACUEU-UDWIEESQSA-N 435.461 5.063 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(OC)c1O 408987634 QSARCTIBXDJVIL-AFUMVMLFSA-N 442.581 5.163 30 40 IKEB O=C1NC(=Nc2ccccc2Cl)S/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1 409215397 XVXLXYOEKJDEGR-WQRHYEAKSA-N 448.853 6.510 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccc(C)cc1 409238085 KHFLRUZBJNSWBF-PXLXIMEGSA-N 437.561 5.757 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1 409405327 TZFULTBNHNGGOY-UHFFFAOYSA-N 449.485 5.664 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 811241 DAQQPSMGULWCMY-DVECYGJZSA-N 435.951 5.653 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1cc(Cl)cc(Br)c1O 2085889 JHOPXYJZQZLVBC-MLPAPPSSSA-N 444.137 5.353 30 40 IKEB CC[C@@H]1CCc2c(sc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)c2C#N)C1 2742230 KMVQYZAWHWLFOY-UZUQRXQVSA-N 432.614 6.607 30 40 IKEB CCN(Cc1ccccc1)c1ccc(/C=N/c2ccccc2-c2nnc(=S)[nH]c2O)cc1 3189779 WEHQYXPMSORSQL-WGOQTCKBSA-N 441.560 5.684 30 40 IKEB CCCCCCCCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 3220425 STVZTNFIUXBAFG-UHFFFAOYSA-N 448.463 7.905 30 40 IKEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc(OC)c1OC 6077162 APMJSVUKEGGGQT-XMMPIXPASA-N 443.543 6.066 30 40 IKEB COc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)cc1Cl 9284608 UZQCREGRPZOGNG-UHFFFAOYSA-N 436.924 5.060 30 40 IKEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccn2)C2=C(C[C@H](c3cccs3)CC2=O)N1 12416392 SQHYDVPMWNWVHI-SSOJOUAXSA-N 441.556 5.143 30 40 IKEB C=CCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1-c1ccc(C)cc1C 12609097 NMBKBKIZAVZCJG-UHFFFAOYSA-N 442.588 5.022 30 40 IKEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 13014238 MWNONHQLNVGGRZ-QGZVFWFLSA-N 443.503 5.953 30 40 IKEB Cc1nn(-c2ccccn2)c2c1[C@H](c1c(F)cccc1Cl)C1=C(N2)c2ccccc2C1=O 13122144 VAYGHDRGUSXLBB-OAQYLSRUSA-N 442.881 5.533 30 40 IKEB C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1cccc(Br)c1 15912627 SMSUDGMFUARESX-KEUFMJMZSA-N 448.389 6.059 30 40 IKEB Cc1ccc([C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)c(C)c1 16034112 UFZFTJYRWWOMTM-OYUWMTPXSA-N 446.510 6.111 30 40 IKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1 17044128 CYZDTEZSZIBLNC-HHHXNRCGSA-N 446.591 6.419 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3ccccc3S2(=O)=O)cc1 32984293 GYIWYYSKHHCRPL-UHFFFAOYSA-N 433.529 5.352 30 40 IKEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1 71998993 LGOWKWZPHWLHSQ-UHFFFAOYSA-N 446.919 6.083 30 40 IKEB O=C(/C=C/c1nc2ccccc2[nH]1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O 72314755 JDOQEYGHPDCRNU-BUHFOSPRSA-N 425.875 5.621 30 40 IKEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Br)cc1 101062656 AQIAOSBTZOGYBE-NHFXJNLRSA-N 434.289 5.075 30 40 IKEB CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)S/C1=N/c1cccc(C)c1 105756979 ZZUAWELTWPZCLM-DRGFOCDESA-N 445.972 5.027 30 40 IKEB N#Cc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 408538374 LTVURVYETTYZIV-UHFFFAOYSA-N 445.936 5.425 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 408595012 VIDUWXVXKVZUOI-YDZHTSKRSA-N 441.281 5.487 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)nc2ccccc21 408692319 JRDLLWIBBPMMHF-ZVHZXABRSA-N 436.357 5.672 30 40 IKEB COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1[N+](=O)[O-] 408852256 QYWPFDVXVHNYRX-OYKKKHCWSA-N 435.505 5.547 30 40 IKEB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1 408909340 GMNUJLPXURALPT-MYYYXRDXSA-N 442.431 5.681 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408977762 YACHYFJMCWZMSW-ZVHZXABRSA-N 430.489 5.845 30 40 IKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3cccc([N+](=O)[O-])c3)sc1C2 409038792 BERJOHOVAULBHE-AWQFTUOYSA-N 430.283 5.144 30 40 IKEB O=[N+]([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 409044969 DZDWRTSZVAFSLZ-FOKLQQMPSA-N 446.246 6.139 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(CC)C1=O 409060008 UJYHBAYCQYRJHP-HPJGCCTDSA-N 430.913 5.061 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1cccc2ccccc12 409121591 YRRMHPWDUYZTRF-UHFFFAOYSA-N 437.583 7.385 30 40 IKEB COc1ccc(Cl)cc1/N=C1/S/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)N1C 409157977 WLTZALXIEGWHCC-JXUGISTBSA-N 439.968 6.118 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409201549 MIJVLNHYIYWOJJ-ZVHZXABRSA-N 435.436 6.061 30 40 IKEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c(Br)c1 409228187 VOFCTXIZSFSVFD-KEBDBYFISA-N 445.229 5.280 30 40 IKEB C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 409361879 QFRVCYRHWMFBND-UHFFFAOYSA-N 438.622 5.245 30 40 IKEB C=CCOc1c(Cl)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 409406622 XYCSNZUXJVLNLM-UHFFFAOYSA-N 445.906 5.173 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2F)cc1 1531383532 KFZWFOCQCODMET-UXHLAJHPSA-N 449.485 5.664 30 40 IKEB C=C(C)Cn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1747637 BJPLPZMWITYWRJ-UHFFFAOYSA-N 428.601 6.147 30 40 IKEB biogenic C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1C 2441266 YKTSTTCJILJDOA-UHFFFAOYSA-N 440.572 5.837 30 40 IKEB CCOc1cc(/C=N/n2cnnc2)ccc1OCCOc1ccc(C2CCCCC2)cc1 20175946 BLMMEOKMUZQNLM-OGLMXYFKSA-N 434.540 5.065 30 40 IKEB CCOc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1 26965609 SMQLDPXZUFAROX-PNHLSOANSA-N 444.560 5.357 30 40 IKEB Cc1ccc(-n2c(N/N=C\c3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 32120400 JVVBGAUUMSLVNP-WGARJPEWSA-N 444.560 5.053 30 40 IKEB N#C[C@H](C(=O)CSc1nnc2sc3ccccc3n12)c1nc(-c2ccccc2)cs1 32777069 NNPWPYBCZYUXCT-CQSZACIVSA-N 447.570 5.036 30 40 IKEB CCCCCCCCCCCCc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 100566237 GBDWCLPXQANTIE-UHFFFAOYSA-N 435.740 10.115 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(Cl)c2)/C1=C(\O)c1cc2ccccc2o1 102752275 OQOWORRFRKYSAD-MOBKVPTQSA-N 444.874 5.103 30 40 IKEB N#CC1(c2ccc(NC(=O)[C@H]3CCCN(Cc4c(Cl)cccc4Cl)C3)cc2)CC1 225910588 RAWXEADGABMIPZ-INIZCTEOSA-N 428.363 5.399 30 40 IKEB Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1 408738183 RQCKIOBVWJUFEI-OVVQPSECSA-N 444.376 7.029 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1C 408909821 IJYRQYWOKXBZQU-KWPJTZOTSA-N 428.557 5.850 30 40 IKEB O=C(O)c1cccc(COc2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)cc2Cl)c1 409072912 WIQIKLWWIDJBDO-YPXUMCKCSA-N 449.816 5.477 30 40 IKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N3CCCC3)cc2)C2=C1CC(C)(C)CC2=O 409210681 KPKKIMFYOVSGCF-UHFFFAOYSA-N 432.608 5.602 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 409217778 WNFKKJHPQUCGST-FOKLQQMPSA-N 446.246 6.661 30 40 IKEB CCCCCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330267 CNWSJZUXACITCD-VXPUYCOJSA-N 448.551 10.027 30 40 IKEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1cc(Cl)ccc1Cl)CCCC3 1905421 WHVRFIOZNKTWKK-NUGSKGIGSA-N 439.136 6.837 30 40 IKEB C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 2671717 QUSNHTFPYFAUBN-STZFKDTASA-N 447.585 5.244 30 40 IKEB CC(C)CC(=O)O/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(Cl)cc21 3069877 SPPJFZOSDLPQHZ-CLCOLTQESA-N 439.726 5.487 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4061668 SEXTWCBGUMZWDP-DEOSSOPVSA-N 437.580 5.565 30 40 IKEB Cc1cccc(COc2ccccc2/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c1 9235054 PXNFAZOJKPAVLI-HYARGMPZSA-N 434.948 6.119 30 40 IKEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 9281180 QUZVRGOKRCQNPD-UUYOSTAYSA-N 438.838 5.461 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 12569759 REVRWHNMZGTVKW-VCHYOVAHSA-N 440.883 5.135 30 40 IKEB COc1ccc(CSC2=Nc3ccccc3/C2=N/Nc2cccc(C(F)(F)F)c2)cc1 12952089 CIPSXDRYWBSNIY-ANYBSYGZSA-N 441.478 6.507 30 40 IKEB Cc1ccc(-c2cc(C(=O)OCC(=O)NC3(C#N)CCCCC3)c3ccccc3n2)c(C)c1 13002439 WOOPKQGSYATLQV-UHFFFAOYSA-N 441.531 5.018 30 40 IKEB CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 16805795 SIHVLLOLDNWOII-DEOSSOPVSA-N 445.490 5.393 30 40 IKEB COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@H]1c1ccco1 18219497 WAPNHCQFZGTYRX-PUAOIOHZSA-N 428.488 5.355 30 40 IKEB CC(C)c1ccc(NC(=S)C2=C(NC3Cc4ccccc4C3)CC(C)(C)CC2=O)cc1 19944005 AQRWNBILUSNHMJ-UHFFFAOYSA-N 432.633 5.950 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c1OC 27533679 PFLQXVZPPGZHEZ-OVCLIPMQSA-N 442.846 5.268 30 40 IKEB O=C(O)c1ccccc1/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 59500713 QGXHYRSDECGJQW-DHRITJCHSA-N 435.888 6.223 30 40 IKEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Br)cc1 101284415 HYFINDSUFXJXER-LJQANCHMSA-N 447.377 5.233 30 40 IKEB C=CC/N=c1/scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCC(C(C)(C)C)CC1 105525656 ONCDMQSWPHOEBQ-AOPAZGRYSA-N 438.597 5.075 30 40 IKEB O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 117738550 IPAISGGKLUAXPH-UHFFFAOYSA-N 436.192 5.285 30 40 IKEB C=CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br 408556693 KBWNWXUZMSWMTD-UHFFFAOYSA-N 431.555 6.042 30 40 IKEB CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 408730643 SSBSVXMRIWWAEH-ZXVVBBHZSA-N 447.604 5.030 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(C)C)cc3)C(=O)N2C2CCCCC2)cc1 408909310 CLACMQHKAJGXKG-FUQOYWQNSA-N 448.632 6.967 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409216568 JJMODQDRTRYRLN-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB C=CCOc1ccc(C=Nn2c([C@H](C)CC)nc3ccc(Br)cc3c2=O)cc1 409322168 KWNLNWCKMFISBS-OAHLLOKOSA-N 440.341 5.120 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)c(Cl)c1 1531254984 PTIBPAIQIBLKPQ-LSHDLFTRSA-N 439.140 5.301 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 2332241754 JYDNKGUBLIKNAM-ANQPKLBTSA-N 440.712 7.205 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1)Nc1ccccc1 2181406 HEYJXCVXRKZQCY-YDZHTSKRSA-N 448.529 5.686 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc(CCc3ccccc3)cc2)c2ccccc21 2348121 BIBKQYYOUMZJDV-SSEXGKCCSA-N 445.587 7.338 30 40 IKEB CCN(CC)c1ccc(/C=C2\C[N+](C)(C)C/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 5722244 YMIJXUMZUAPUNM-FQHZWJPGSA-N 446.659 5.505 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]32C)cc1 8615976 FKBGHOIYIHEXNW-BDUWWWMKSA-N 426.578 5.331 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 9086251 VLDHWJMTQONKAI-QHCPKHFHSA-N 429.516 5.664 30 40 IKEB C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1ccc(OC)cc1 9096330 RIGIEMMPMXDCQK-UHFFFAOYSA-N 432.549 5.089 30 40 IKEB CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc23)C1=O 9380052 SGZYKMMJIROBTI-IOYLVGNBSA-N 437.568 6.237 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)c1ccccc1 9486257 ZFANWYHKOXQKNJ-FBHDLOMBSA-N 434.831 5.042 30 40 IKEB Cc1ccc(/C(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)=N/O)cc1 13773553 TTXILKDUFBKGQG-ZZIIXHQDSA-N 427.500 5.566 30 40 IKEB N#Cc1c(SCc2c(F)cccc2Cl)nc(-c2cccc(Cl)c2)c2c1CCCC2 15981488 FDRHUYQCBTVIMG-UHFFFAOYSA-N 443.374 7.237 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Br)cc2)nc1SCc1ccccc1 16732268 OCNTUXGHHVYKDU-UHFFFAOYSA-N 449.295 6.694 30 40 IKEB COc1cccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nc(O)c32)c1 16960306 MAHQIFUZWWHCIF-FQEVSTJZSA-N 445.544 5.048 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2c[nH]c3ccccc23)cc1 19641160 GYCLRVDCSWEASW-WHLCRQNOSA-N 444.538 6.242 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(SCCO)c([N+](=O)[O-])c3)c2C#N)C1 32124567 ONZCQCYEERRGMX-MMTYYTLLSA-N 443.594 5.514 30 40 IKEB COc1cc(C(=O)/C(=C/c2ccc(C)s2)c2nc3ccccc3[nH]2)cc(OC)c1OC 33656533 MGSXNUPALWYYAC-LGMDPLHJSA-N 434.517 5.382 30 40 IKEB Brc1cc(/C=N/N(c2ccccc2)c2ccccc2)oc1N1CCOCC1 59249275 YKBTXLFTVFYNRL-XQNSMLJCSA-N 426.314 5.051 30 40 IKEB COc1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4C)NC3=O)o2)c([N+](=O)[O-])c1 59459394 FQTMIJISXZIVGT-NDENLUEZSA-N 435.461 5.063 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3cc(C)ccc3C(C)C)c(C)c2s1 72228819 FXHRALZCUSVOIJ-UHFFFAOYSA-N 438.597 6.170 30 40 IKEB COc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 100494627 SSNRMSCFXPROTC-CZYCKNNWSA-N 436.511 6.997 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 100856130 DUDANSXBYVGRLT-XLNRJJMWSA-N 441.618 6.537 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc(OC)cc(Br)c2O)sc2c1CCCC2 100944660 VLGWIZKOGZUHCS-UFFVCSGVSA-N 438.343 5.031 30 40 IKEB CCCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)S/C1=N/c1ccccc1 208451504 FHPBHLPESFAQSA-WFFFFOTMSA-N 445.632 6.641 30 40 IKEB CC[C@H](C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1Cl 409277159 ZXUMNCJZVLUYIM-KRWDZBQOSA-N 437.971 6.157 30 40 IKEB C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 409360165 LZRBATQESUHQEB-UHFFFAOYSA-N 442.585 5.076 30 40 IKEB CCOc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)cc1OC 409404331 PHFLEVFKFQGALJ-UHFFFAOYSA-N 433.895 5.006 30 40 IKEB CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384812 MSXUHDJOLXBLBR-MOROIOLQSA-N 442.475 5.031 30 40 IKEB Cc1ccccc1N/N=C(C(=O)c1ccccc1)\C(O)=N\c1cc(Cl)ccc1Cl 2075469 NGFRSYJEESVIHS-OOAXWGSJSA-N 426.303 6.241 30 40 IKEB COC(=O)OCc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 2270816 WVXPUNLPEJZMQM-UHFFFAOYSA-N 438.520 5.370 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 4742397 PMBSWZWCNKVWLV-OLVLZXMISA-N 442.684 7.139 30 40 IKEB biogenic,in-vitro C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 6303891 MQYXUWHLBZFQQO-DCTTWMPASA-N 426.729 8.025 30 40 IKEB in-vitro COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1ccccc1C1CCCCC1 8399104 YLLNITIABQGAHU-GZTJUZNOSA-N 442.555 6.924 30 40 IKEB biogenic,in-vitro COc1c2c(cc3c1[C@@H](C/C(=N\O)C1=CC[C@@H](CCC=C(C)C)CC1)N(C)CC3)OCO2 8917796 PBRQQVMWXPODJH-NAJRZFLUSA-N 440.584 5.646 30 40 IKEB biogenic CCOc1ccc(/C(Cc2ccccc2)=N\Nc2ncnc3sc4c(c23)CCCC4)cc1 9042118 WSIPHGISJCYIKB-IADYIPOJSA-N 442.588 6.028 30 40 IKEB CC(C)COc1ccc(/C(CCCC/C(=N\O)c2ccc(OCC(C)C)cc2)=N/O)cc1 9144810 GAEFSJHIELENMF-NBHCHVEOSA-N 440.584 6.373 30 40 IKEB N#Cc1c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)sc2c1C1CCN2CC1 9233651 JOKKUEFGUMAAPB-WKULSOCRSA-N 443.616 6.241 30 40 IKEB O=C1/C(=C\c2cccc(O)c2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 9324342 QLBBFNNDICRPKB-DOGKOTLKSA-N 439.540 5.720 30 40 IKEB CCCc1cc2c3c(c(=O)oc2c(C(=O)/C=C/c2cc(OC)cc(OC)c2)c1O)CCCC3 11866522 BJMHFODKSBTTIZ-ZHACJKMWSA-N 448.515 5.243 30 40 IKEB Cc1nc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n(C[C@H]2CCCO2)c1C 12520128 HFMWTEOTWVTYJJ-RKEBYBPRSA-N 439.625 5.040 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc4ccccc4n32)cc1OC 19633764 QXKNAJZWGQTVGP-LMKMVOKYSA-N 441.487 5.062 30 40 IKEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 19817751 AYNMENWBYFWJAX-GSLIJJQTSA-N 437.449 5.375 30 40 IKEB Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccccc1F 32101721 NILCOJANPIAKJN-RDRPBHBLSA-N 427.523 5.724 30 40 IKEB Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccccc4)c(C)s3)cc2)cc1 59193860 WGPZGNJDVHNYCX-WGOQTCKBSA-N 427.529 6.092 30 40 IKEB C=C1S/C(=N/c2ccc(Cl)cc2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 100397457 FGISEVKWJRNNCV-OQKWZONESA-N 440.787 6.289 30 40 IKEB CSc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCCn3ccnc3)C2=O)cc1 105840195 IPJLVLOUQNCZQN-IXXRPMNDSA-N 434.590 5.299 30 40 IKEB O=C1/C(=C/c2cccc(O)c2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 107828698 FYTSZFUZMOYYNO-ORVWWNJKSA-N 441.339 6.508 30 40 IKEB C=CCN(c1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 224376932 VKMKYNUTNUPTDK-VWLOTQADSA-N 448.588 5.257 30 40 IKEB C=CCOc1c(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cccc1OC 408530496 LJCHFDFITJKDAO-WQRHYEAKSA-N 433.888 5.289 30 40 IKEB CC(C)(C)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408857526 KHJFNFUZYYHOHN-BMMDDBMZSA-N 436.596 7.060 30 40 IKEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Br)cc1 409146570 TYBUTDNOLOMEDE-BRJLIKDPSA-N 439.309 5.869 30 40 IKEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccc(O)cc1 1531385652 XBKGGVKIUPCIHD-OGLMXYFKSA-N 434.499 5.059 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Sc2ccccc2)o1 654035 SMAQQHDNAMPQGO-OAQYLSRUSA-N 429.497 5.172 30 40 IKEB CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc(OCC)c1OCC 2734281 LGTDDBVYSFBMLA-UHFFFAOYSA-N 442.581 5.727 30 40 IKEB N#Cc1c(SCc2ccccc2Cl)nc(-c2cccc(C(F)(F)F)c2)c2c1CCC2 8857316 WMKPVPYPIOARMB-UHFFFAOYSA-N 444.909 7.073 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 9380312 GKRCOIVEKBWVGT-NRFANRHFSA-N 448.316 5.540 30 40 IKEB CC(C)(C)[C@@H]1CCc2nc(SCc3ccc(C#N)cc3)c(C#N)c(C(F)(F)F)c2C1 9423331 DXFFEHIMWOHUBZ-MRXNPFEDSA-N 429.511 6.287 30 40 IKEB Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 9614542 BQKIQGPTTKVGSV-DBQZHCBRSA-N 429.516 5.118 30 40 IKEB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc1 9631718 YNVCQAOINJBBIL-UHFFFAOYSA-N 447.564 5.061 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9763882 JYBMJHLXAWDXDQ-INIZCTEOSA-N 431.300 5.233 30 40 IKEB Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c12 23983751 PITXMMKNYWDFQJ-OAQYLSRUSA-N 443.551 5.193 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)S2)cc1C 59223967 MXYXEWVGECKTOW-WOJGMQOQSA-N 430.371 5.024 30 40 IKEB O=C(C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 100035592 BJKOPLOZQDQIOT-QQDRUZQMSA-N 440.568 5.975 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 102858056 ORDFAXRQDNMFJA-YDJIHCHBSA-N 442.298 5.517 30 40 IKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 102865453 OQGFORKXTOCTTI-JBCNATCCSA-N 444.487 5.370 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 102926894 RLAGPHLQUNLSAP-IAMBOQNYSA-N 440.524 5.539 30 40 IKEB COc1ccc(-c2sc(/N=C\c3ccc(-c4ccccc4)cc3)c(C#N)c2C)cc1OC 104168807 DPVYRXNZNFJFRP-RHANQZHGSA-N 438.552 7.030 30 40 IKEB N=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[C@H]1c1nccs1 137237023 SNIYITLQLFPRSF-LVRGXITISA-N 431.882 5.383 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)ccc1Cl 408721061 JKOPHRMQYSAVRI-ZVBGSRNCSA-N 445.660 5.669 30 40 IKEB CCCCN1C(=O)/C(=C\c2ccc(OCCC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408911919 KZFIKOWLXOKTSM-OBUXZSPNSA-N 438.593 6.197 30 40 IKEB CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)cc1 408962283 XZRGRSLKXBFLSK-JUQJSGDGSA-N 449.576 5.006 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)SC1=Nc1ccccc1 408966964 OHWXGPNPPLDKJV-SBEYKLCGSA-N 443.616 6.671 30 40 IKEB CCCCOc1ccc2ccccc2c1/C=N\NS(=O)(=O)c1ccc2ccccc2c1 409012887 LIPGLASLACRIIE-ITYLOYPMSA-N 432.545 5.484 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409208389 FRLLEXYHGXCKLL-MZJWZYIUSA-N 436.939 6.042 30 40 IKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1C 409215075 ZRTYKCUWWIMIGB-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CC(=O)Oc1ccc2ccccc2c1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409284626 VCSLUMJFEACHPY-UHFFFAOYSA-N 439.515 5.405 30 40 IKEB O=C(COc1ccc(/C=N/c2cccc3ccccc23)cc1Cl)Nc1ccccc1F 409386833 NMQUGMUIRSMKPQ-RWPZCVJISA-N 432.882 6.400 30 40 IKEB CC[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409404319 PGOBIZYSNRHJOK-KRWDZBQOSA-N 431.923 5.776 30 40 IKEB CC(C)(COB(OCC(C)(C)C(F)(F)F)OCC(C)(C)C(F)(F)F)C(F)(F)F 1083812465 DNICANFJYAPWHO-UHFFFAOYSA-N 434.148 5.787 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 1243899 OMXRYZCXEOMXIB-SFHVURJKSA-N 426.607 5.521 30 40 IKEB Clc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1 1882752 DQWUVRSLXTWWPP-STBIYBPSSA-N 438.914 7.478 30 40 IKEB CCOC(=O)c1cc(C#N)c(SCc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 3104576 ODSSKYTXFXHUKH-UHFFFAOYSA-N 442.462 6.108 30 40 IKEB CCN(CC)[P+](c1cc(OC)c2ccccc2c1OC)(N(CC)CC)N(CC)CC 5385143 HJSKEJLNWBPEHU-UHFFFAOYSA-N 434.585 5.270 30 40 IKEB N#Cc1cc(Oc2ccc(OCc3ccccc3)cc2)c(-n2nnc3ccccc32)cc1C#N 8450254 MYQXAONAPAIARL-UHFFFAOYSA-N 443.466 5.535 30 40 IKEB CCCCOc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 9030799 LBYMAGCKHUAGHX-XLNRJJMWSA-N 431.919 7.084 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 9261304 ZRKMNFJXMHXVJI-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1 9488026 ODYMRBPZHOQQTA-FNZWTVRRSA-N 447.534 5.699 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc(Br)cc(Cl)c1O 9805338 BQKVPNODWHEEJH-CGOBSMCZSA-N 438.587 5.181 30 40 IKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 10130745 LKNREEHWTKPUIT-UHFFFAOYSA-N 429.428 5.035 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc2ncccc12 13303968 ANCCVHAQGMXIID-NPGCFZLRSA-N 446.601 6.009 30 40 IKEB COc1cc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)ccc1CSc1ccccc1 13960091 MCXHJECOEGPMSD-GZTJUZNOSA-N 443.612 6.874 30 40 IKEB C=CCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 15240676 KUYPYENQWNZOFJ-RFBIWTDZSA-N 445.567 5.759 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccc(C(C)(C)C)cc3)n2)c(C)c1 15831974 GWIUVBHYXOSZCD-UHFFFAOYSA-N 446.576 5.366 30 40 IKEB CCn1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccccc3Br)c2)n1 19633259 KIMMQRYZDSYUGN-CSKARUKUSA-N 441.325 5.149 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1cccc(Cl)c1 27016201 UNWZYZCMNZICAU-BZZOAKBMSA-N 435.936 6.134 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O 33567540 YZJWRDYLXXFCKY-QFIPXVFZSA-N 444.487 5.039 30 40 IKEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 36611324 WXHHTZMORISANW-LSHDLFTRSA-N 449.319 5.621 30 40 IKEB CCCCCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 97951873 BHCBMWMEZGZUAQ-UHFFFAOYSA-N 434.668 8.444 30 40 IKEB N#Cc1c(Sc2ncc(C(F)(F)F)cc2Cl)nsc1/C=C/Nc1ccccc1 100408578 WLACFGSAVVFSGN-VOTSOKGWSA-N 438.887 6.316 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)s1 107543392 FQQPVXOSDRGSML-PYXFXZIOSA-N 436.606 5.543 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N\c3ccccc3O)c2C)ccc1I 408783708 QICBCYPMFVGEKP-UUYOSTAYSA-N 430.289 5.463 30 40 IKEB CC(C)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl 408894778 FWCOBJNNVBZGMY-UHFFFAOYSA-N 441.999 6.100 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)N(CCc3ccccc3)C3=C2C(=O)CCC3)ccc1O 408920533 JUTREFPJEGEGMS-UHFFFAOYSA-N 443.543 5.057 30 40 IKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 408960531 MNJTYLXXHRBNEF-UXHLAJHPSA-N 447.490 7.128 30 40 IKEB Cc1ccc(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)cc1C 409011182 FBYKPACWOFSBQP-FYTLUAJBSA-N 442.628 7.692 30 40 IKEB Cc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1N1CCCC1 409080936 OOTKWKOFDDGAPL-LQKURTRISA-N 447.604 5.809 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1 409087142 GMBKEGDHTYEQMI-UEYIPHHSSA-N 446.572 6.568 30 40 IKEB C#CCOc1c(I)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409216376 KNBGZGHSZRYYQO-SRZZPIQSSA-N 439.680 5.024 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Cl)c1OC 409247322 MQTWCZVSKZATNB-BBWXTVSKSA-N 446.956 5.380 30 40 IKEB Cc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(C)n1-c1ccc(F)cc1 409375724 OLYAFHXUZZOADB-WKULSOCRSA-N 439.446 6.969 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1OC 409381058 RGZRHQUIANVKEK-ZXSUQFSISA-N 444.358 7.722 30 40 IKEB C=C(C)[C@@H]1C[C@H](c2ccc(CCC)cc2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037879098 SDDLXQISYXCMCT-AOOPRCNYSA-N 426.528 6.068 30 40 IKEB O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OC(=O)C3CCCCC3)ccc21 2405576 AUTSBAJUYOZATP-NDENLUEZSA-N 427.294 5.551 30 40 IKEB C=CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 9095137 CUNYULOBYNDRQS-UZTOHYMASA-N 449.554 5.379 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 9234752 VKFFDQKYTSFJKJ-HXUWFJFHSA-N 430.485 5.289 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1 9271236 IUOMLGBWBNUDHI-JOCHJYFZSA-N 440.524 5.696 30 40 IKEB C=CCn1c(SCC(=O)c2cccc3ccccc23)nnc1[C@H]1COc2ccccc2O1 14141884 JZBFCHKJWBTICL-HSZRJFAPSA-N 443.528 5.105 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 18196235 JIBVDMOFOBRWAP-PSLXWICFSA-N 435.932 6.088 30 40 IKEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1 408782128 HSRBBMFRDIBPMS-CFRMEGHHSA-N 442.344 6.375 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1cc(C)ccc1C 408907381 MSULKDIHQFNYIS-FUQOYWQNSA-N 442.584 6.506 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 408946116 XZFFVZAVOACMJF-VXNXWQJSSA-N 442.990 7.624 30 40 IKEB CC[C@@H](C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 408964509 HKODFMAHNWAHLO-OTGIAGGSSA-N 444.387 6.811 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl 409033196 NOGNELHACRBWAQ-WZHOGQJBSA-N 429.163 5.885 30 40 IKEB CC(C)COc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl 409056651 NEBXXAKQTMGSNY-UHFFFAOYSA-N 434.363 5.729 30 40 IKEB COc1cccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c1OC 409081659 HMNNPPCSCUYFEY-QLIPUSLZSA-N 430.957 5.617 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)cc2)cc1 409093613 BGEIANOGZIHANC-WSDLNYQXSA-N 443.253 5.614 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1C#N 409099850 LYYWBRPBODMYNY-KVSWJAHQSA-N 426.398 5.006 30 40 IKEB C#CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1Br 409109520 GPDMXNILYUPJNS-UHFFFAOYSA-N 443.566 5.798 30 40 IKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1C 409208365 AZMUNRNJXGKGRN-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(Br)cc2)cc1 753246 XWCSFRGVLNKEAW-HMAPJEAMSA-N 429.339 5.309 30 40 IKEB Cc1n[nH]c(/N=C/c2ccc(OCc3ccccc3)cc2)c1-c1cccc(Br)c1 1030263 QTOZMAVBNFKXQP-CVKSISIWSA-N 446.348 6.477 30 40 IKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2427329 OFRHJWWNRXPRAP-UHFFFAOYSA-N 439.563 5.871 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 8854689 WJQZBUOPUBDDJG-OAQYLSRUSA-N 437.417 5.797 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N\c1ccccc1 9434511 ORBYSQOCJBEZHN-NMRWETQTSA-N 446.547 6.419 30 40 IKEB CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 9678762 VUZDVWRSUQXVCN-MNNSJKJDSA-N 438.571 6.763 30 40 IKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1cccc2ccccc12 9879491 DPYZCIATKDYNKQ-FDAWAROLSA-N 437.974 6.928 30 40 IKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 10119085 PSDOQYXLZPQNQX-JFLMPSFJSA-N 429.347 6.095 30 40 IKEB CC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 12604070 QEDIXCQTBQPPSU-LIDOXOPQSA-N 448.504 5.196 30 40 IKEB COc1ccc(/N=C/c2c(CSc3ccc(Cl)cc3)nn(-c3ccccc3)c2O)cc1 13923843 IGKBMPWOHFWLLO-CVKSISIWSA-N 449.963 6.283 30 40 IKEB COc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4c(C)cccc4C)n3)oc12 25057081 OXAMOHDAIONDFH-VAWYXSNFSA-N 446.528 6.095 30 40 IKEB Cc1cc(Br)ccc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 59138043 IXCNNUQVVUJABY-ATVHPVEESA-N 446.370 5.232 30 40 IKEB N#Cc1c(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)sc2c1CCC2 61111995 XXBKCSXNILFYCM-UHFFFAOYSA-N 434.373 5.720 30 40 IKEB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 66091509 AVRJTFYNNVEQIR-DEOSSOPVSA-N 448.994 6.200 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1cccc(O)c1 82086469 HKRPSMKPSBIRSL-UHFFFAOYSA-N 437.524 5.724 30 40 IKEB CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 97954709 LNLFGIVGWOPUEE-JOCHJYFZSA-N 447.623 6.706 30 40 IKEB CCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530976 MBCIAUUWAOZOBZ-FOCLMDBBSA-N 442.450 9.102 30 40 IKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2[C@@H](C)CC1(C)C 198095946 SCCXCGAKZJHCDS-ZUSSYJGPSA-N 428.576 7.350 30 40 IKEB C=CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)c1ccc(F)cc1 408597121 WMFUNTPJQSQFEJ-UHFFFAOYSA-N 433.508 5.310 30 40 IKEB Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 408778522 GUAAKTAGNROHGO-XKZIYDEJSA-N 427.371 5.177 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1cccc(C)c1 408908173 BKBKURAVADNMBI-ROTLSHHCSA-N 440.887 5.375 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 408910947 IDIXHGJWNYHPJY-XNGCSZICSA-N 429.383 6.160 30 40 IKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)o1 408913832 RQDJDRSKNCXTJU-GRUKXCDCSA-N 449.488 5.406 30 40 IKEB CCOc1cc(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1OCC 409285530 VZTIMVZATNXESH-UHFFFAOYSA-N 433.552 5.432 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c[nH]c2ccc(Br)cc12 409405225 NOWBKMGAULZSRT-UHFFFAOYSA-N 443.304 5.190 30 40 IKEB CC[C@H](C)Oc1ccc(Cl)cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385033 PGOBIZYSNRHJOK-DCMOEJRUSA-N 431.923 5.776 30 40 IKEB O=C1C(Cl)=C(Nc2ccccc2Cl)C(=O)C(Cl)=C1Nc1ccccc1Cl 1674601 CIRMEUSNPBMFOU-UHFFFAOYSA-N 428.102 5.570 30 40 IKEB C=CCNC(=O)/C(NC(=O)c1ccccc1)=C(\Sc1ccc(Cl)cc1)c1ccccc1 2065397 BCCVPYSEHREEFF-GHVJWSGMSA-N 448.975 5.533 30 40 IKEB COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 2087114 MTZVPOYKYSIUND-KHHYFDFNSA-N 448.975 6.774 30 40 IKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3Cl)ccc2C1=O 2228326 QGGSZYAFSHPLCU-UOKWBDCBSA-N 430.887 6.243 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 2374284 ZJWZUEBVDXNYMW-UHFFFAOYSA-N 443.532 5.049 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c(OC)c1 8872765 PMZDMSVPYBEBED-CVKSISIWSA-N 449.963 6.594 30 40 IKEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 9195130 ASBANSQGGZZCLO-WYMPLXKRSA-N 430.291 5.604 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1 9272349 BFBQHFCODFMFJQ-FQEVSTJZSA-N 442.298 5.673 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(-c3csc(N/N=C/c4c[nH]c5ccccc45)n3)o2)cc1 12195363 SUSZJPCJGWGUBV-WYMPLXKRSA-N 429.461 5.906 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 12274892 LRGHSOJCCGLQPR-LICLKQGHSA-N 433.291 6.284 30 40 IKEB Clc1ccc(COc2cccc(/C=N\Nc3nc4ccccc4s3)c2)c(Cl)c1 33396490 HTVOUBMYUBSZKI-MSXFZWOLSA-N 428.344 6.628 30 40 IKEB Cc1cc(C)c(COc2ccc(/C=C3\SC(=N)[C@@H](c4nccs4)C3=O)cc2)c(C)c1 33586437 WNIVOEVYZGIUOH-YFPORYOGSA-N 434.586 6.065 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1 100856081 UJTFFZSBTHJEGC-UFSZVFTQSA-N 435.611 5.490 30 40 IKEB N#CC1(C#N)C(C#N)(C#N)[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1cc3ccccc3cc12 102953483 QJJKHZQOOVMKJU-KYJUHHDHSA-N 448.485 5.438 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 104190273 CLNFXIVJWWQZBD-NHFXJNLRSA-N 432.545 5.375 30 40 IKEB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC#N 106720764 DMHDACFREDXLJI-ZDLGFXPLSA-N 449.315 5.141 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(NC(C)=O)cc3)c3ccccc32)c1 408545003 WUNAISKPDGFOCF-JFLMPSFJSA-N 425.488 5.185 30 40 IKEB CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1OCC 408860899 HSMPTXXTJLHHBV-ODLFYWEKSA-N 432.929 5.038 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc(Cl)c1O 408914038 SDVHYXKEBZLRIV-SOUBFYRASA-N 444.984 6.155 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408934466 AXZLGUIZJPHXLA-VZQTZOBLSA-N 445.360 6.732 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OCC)c3)S2)cc1 408952741 MIXUMHLFNZOZTB-CPNJWEJPSA-N 446.956 5.428 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OCC(C)C 408986346 BWORDAJRFZAIBJ-NDENLUEZSA-N 430.957 5.665 30 40 IKEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 409279701 HWUOXJBEOUCBJA-UHFFFAOYSA-N 442.700 5.263 30 40 IKEB O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)Cc2ccccc21 409368447 WCCIRWMPHWDQIA-WOJGMQOQSA-N 439.736 6.504 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)c(Cl)c3)c2)cc1C 409379477 YCHQVOIWDKLEQE-ZMFRSBBQSA-N 427.331 6.378 30 40 IKEB C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2cccc(Br)c2)cc1 1434850 UXYDIFDIQPLHGG-UHFFFAOYSA-N 431.355 5.039 30 40 IKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 2188185 ARBUPTTYLSOIQS-PSYZWBJOSA-N 429.501 6.020 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccc(F)cc1 6077152 XAYYHUCDEMJUOB-SANMLTNESA-N 440.518 6.279 30 40 IKEB FC(F)(F)c1cnc(/C(=N\Nc2ccc(Cl)cc2Cl)c2cccnc2)c(Cl)c1 8762788 SWDOARVFIHAZIE-NTFVMDSBSA-N 445.659 6.320 30 40 IKEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 9175308 YJYCBCPJCLKPSR-SBXHHDGASA-N 448.607 5.138 30 40 IKEB COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 9271117 MCVJPECZYLSNJA-NRFANRHFSA-N 442.496 5.088 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 9310525 OMZMBFWEZGVZJM-FSJBWODESA-N 430.573 5.752 30 40 IKEB C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CC/C=C(\C)CC[C@@H]1OC1(C)C 13509871 KABSNIWLJXCBGG-OQSIWNGOSA-N 442.728 9.027 30 40 IKEB in-vitro CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 14271545 WOMCXKWLHUQIGQ-AWEZNQCLSA-N 446.041 5.480 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19832356 PDSNKZYSTISUEI-UUOWRZLLSA-N 435.951 5.653 30 40 IKEB CCOc1ccc(-n2cccc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 35073939 SVLXHMJUKHBOOY-TURZUDJPSA-N 434.499 5.135 30 40 IKEB CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 97949494 NRJSJCWBKSBAPT-UHFFFAOYSA-N 442.629 5.013 30 40 IKEB CC/N=C1\C=C2Cc3cc(N(C)C)c(C)cc3C(c3ccccc3C(=O)OCC)=C2C=C1C 367758886 ZYCIOMJOZJFQMH-URGPHPNLSA-N 440.587 5.943 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OC(=O)c3ccccc3)S2)c(C)c1 408721159 LMZRFZWSZDWORT-JCMHNJIXSA-N 428.513 5.414 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccccc1Br 408773189 TXWRIGVZTOCFIS-JYRVWZFOSA-N 428.138 5.648 30 40 IKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccccc1F 408909284 GEQIGISTRDJFNQ-FDAWAROLSA-N 426.579 7.452 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408954192 RTPLXNMIOUHCMX-VXLYETTFSA-N 429.108 5.512 30 40 IKEB Cc1cc(/C=N\Nc2ccc3ccccc3n2)c(C)n1-c1sc2c(c1C#N)CCCC2 409003124 YEVCVYZFBULHDZ-DICXZTSXSA-N 425.561 5.900 30 40 IKEB O=C(NCc1ccccc1)c1c(/N=C/c2ccc(N3CCCC3)cc2)sc2c1CCCC2 409056357 DFJCQHKYMFLQHJ-VUTHCHCSSA-N 443.616 5.908 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3OCc3ccccc3)c2C#N)C1 409083607 VKTDYRDDSBRTBC-OHPNAPQJSA-N 428.601 7.100 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409202558 RMMKWOHPOFAFKF-MZJWZYIUSA-N 436.939 6.042 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409203647 ZTGOKTLTHFIGTE-LGJNPRDNSA-N 443.330 6.079 30 40 IKEB Cc1ccc(Oc2ccc(/N=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)cc2)cc1 409222290 WNUYMVMOPXNUTA-DXJNIWACSA-N 434.514 7.680 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2F)S/C1=N/c1ccc(OC)cc1 409238630 FDFKXYTYBKTSDZ-UMUYUUQJSA-N 439.556 5.449 30 40 IKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccccc1[N+](=O)[O-] 409290789 AXSXEUMVQZQRRU-UHFFFAOYSA-N 444.834 5.254 30 40 IKEB Cc1c(Cl)cccc1-c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)o1 409403704 IZIQDGINZQGGJH-UHFFFAOYSA-N 439.902 6.168 30 40 IKEB CCC/N=C1\S/C(=N/N=C/c2ccccc2O)N(c2ccc(F)cc2)\C1=N\CCC 1501023183 IKJDNYYQMRVVCM-CZJNWSCSSA-N 425.533 5.092 30 40 IKEB COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 804420 FOSTUEWWNKDYCU-UHFFFAOYSA-N 437.580 5.456 30 40 IKEB CCN1C2=C(C(=O)CCC2)C(c2cccc(OCc3ccc(C)cc3)c2)C2=C1CCCC2=O 1104174 OEPZUJIMMUGBCG-UHFFFAOYSA-N 441.571 6.007 30 40 IKEB C=C1C(c2ccccc2)=[N+](C2CCCCC2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 1829351 LQMAJFRCHHJTEF-VMPREFPWSA-N 434.603 6.674 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CC(C)(C)OC3 8444375 IHDASOMSBJHJMY-UHFFFAOYSA-N 426.607 5.404 30 40 IKEB C/C(=N\n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C1CCCCC1)c1ccc(C#N)cc1 12311900 SCQWOICQRWYFGQ-DWMFQMKOSA-N 445.548 5.502 30 40 IKEB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1sccc1C#N 12907278 NXAJFVFVBFJKQZ-OAHLLOKOSA-N 443.557 5.258 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 16291618 CJVRVNXVLRVBKZ-YWROOUKNSA-N 429.501 6.020 30 40 IKEB C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)c2ccc(Cl)cc2)c1=S 16769581 PRJWFLROMIOPNF-UHFFFAOYSA-N 429.998 5.737 30 40 IKEB CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccc(Cl)cc3)c2C#N)cc1 20028787 DCDSYRNFGBUXQH-UHFFFAOYSA-N 448.935 5.101 30 40 IKEB CCCCCCCCCCCCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC 70672661 RKWHXWYFZGCTMG-QHCPKHFHSA-N 429.605 5.472 30 40 IKEB biogenic CCOC(=O)c1c(C)oc2c1/C(=C/Nc1nc3c(s1)CCCC3)C(=O)c1ccccc1-2 100834829 ODYJYBNBAVRPLS-VBKFSLOCSA-N 434.517 5.416 30 40 IKEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102568242 BAABDVIXYBAOLD-NHFXJNLRSA-N 425.818 5.245 30 40 IKEB COc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1 103753028 OVLXHURMZCFJIJ-JFLMPSFJSA-N 428.875 7.167 30 40 IKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 260567297 KGHQUUXWCVIQHV-YVXPFSDPSA-N 440.012 6.296 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)SC1=Nc1ccccc1 260573740 ZOUPOVGIRFKBMS-GUOZGLPVSA-N 433.621 6.423 30 40 IKEB CCOC(=O)c1cccc(/N=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)c1 408544472 WIVPAOAZHFKAFF-NTFVMDSBSA-N 440.499 5.404 30 40 IKEB CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408860431 VLWOGLIFUUPFJF-LHGGQAAOSA-N 448.632 6.904 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c1O 408907681 ORQUAXHBDBMNGR-QLNCSRKTSA-N 430.529 5.766 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1 408912755 RGZFGPPHPWOSNJ-ULWVPNJNSA-N 429.501 5.960 30 40 IKEB CC/N=C1/S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C(=O)N1CC 408932602 XZJKNDDHRCJQED-TZIVZOBOSA-N 445.382 5.340 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc1)N2 408935110 GTFIQLBGUIBNKM-YWRHJZBJSA-N 425.488 6.186 30 40 IKEB CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 409080928 OONLGLMIRIZKQT-MZJWZYIUSA-N 436.577 5.935 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1 726637 PHDZSSBNSAVARJ-DEOSSOPVSA-N 437.580 5.564 30 40 IKEB C#CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 2239959 AEGANYGNGZWYMP-IBGZPJMESA-N 434.605 5.134 30 40 IKEB biogenic Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 2269071 UXLQBWYTNXBIJY-JAIQZWGSSA-N 443.355 6.762 30 40 IKEB C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2ccccc21 11650458 IRMMBFJBZZAZOX-UHFFFAOYSA-N 448.617 6.273 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1 12466096 JNAAZPVXVYVNER-CKBSFLJSSA-N 431.319 5.224 30 40 IKEB N#Cc1c(/C=C/c2ccccc2Cl)cc(-c2cccc(Cl)c2)n2c1nc1ccccc12 12549803 BSPGTYAIIZHGJS-OUKQBFOZSA-N 440.333 7.503 30 40 IKEB Cc1nn(-c2nc3ccccc3s2)c2c1[C@H]([C@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2 12589274 GIVACYCDGIYMJO-AOMKIAJQSA-N 444.604 6.299 30 40 IKEB Cc1cccc(-n2ccnc2SC/C(O)=N/c2cc(C(F)(F)F)ccc2Cl)c1 13284017 YUAKGFDGJYFRRK-UHFFFAOYSA-N 425.863 6.233 30 40 IKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(OCC)c2O)c1 16637026 JYAAPKXVHYKVKZ-SSDVNMTOSA-N 439.737 5.696 30 40 IKEB O=C(CSc1nnc(-c2ccc(/N=C\c3ccc(Cl)cc3)cc2)o1)Nc1ccccc1 17837696 OTJMMQITYHDSEI-QFEZKATASA-N 448.935 5.871 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2c[nH]c3ccccc23)cc1 19641154 GYCLRVDCSWEASW-HMILPKGGSA-N 444.538 6.242 30 40 IKEB N#Cc1nc(C(c2ccccc2)c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1 27562270 HHQKEFVOSYUGJJ-UHFFFAOYSA-N 438.506 5.192 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)CCN(C)C4)cc2[N+](=O)[O-])cc1 32124885 WVKHAQUXYLQWEN-DHRITJCHSA-N 448.573 5.726 30 40 IKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cc(Br)cc(Cl)c3O)S2)c1 59426824 CRUKEQQRJFKTJH-VIZOYTHASA-N 437.746 5.317 30 40 IKEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1cc(-c2ccccc2)nc2ccccc12 102945017 OITOCPUTIHNPFX-VEWQFJOQSA-N 440.506 5.786 30 40 IKEB CCCCCCCCCC(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl 102998363 FMZKARXFELVMEE-UHFFFAOYSA-N 435.395 7.325 30 40 IKEB CCCCCCCCCCCCOC[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12 103005438 WHLBCNRCXJZXMF-PPGORRQASA-N 428.610 5.320 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1O 408859238 RGNFSMATMMBLFT-MAIMZUNFSA-N 436.577 5.974 30 40 IKEB CCOCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccccc1 408928659 CZTAYUQUAHHLIP-IVCURSBOSA-N 433.577 5.863 30 40 IKEB CCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N/c1ccc(N2CCCCC2)cc1 408929447 ZOSWABAIVVJATR-REHDBGDWSA-N 425.985 5.954 30 40 IKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408945853 ODZLUXJRTKIOQW-FOKLQQMPSA-N 431.717 5.959 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(Br)cc1O 409208207 AHVIUOXLWDPBCM-DDFZXGMKSA-N 447.398 5.998 30 40 IKEB Cc1c(Cl)cccc1/N=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409211889 OMWAYXALPXNBMU-ZRGSRPPYSA-N 434.801 7.118 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409384718 CWFFSIAECXCXRP-BRJLIKDPSA-N 426.969 6.445 30 40 IKEB COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 712328 TWHOATAIKQDQPN-UHFFFAOYSA-N 438.520 5.021 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(F)cc1 1434668 QGBBCDVTQWDVTP-QRQCRPRQSA-N 425.887 5.014 30 40 IKEB COc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1 2325859 DYUMSXACKSDWFC-UHFFFAOYSA-N 428.517 5.019 30 40 IKEB O=C1[C@@H](Cc2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 2671063 PENRTCCVDAAWQS-IPQBESIJSA-N 427.356 6.372 30 40 IKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccc([N+](=O)[O-])cc1 8826423 WUCMEJGUBJBTTA-HSZRJFAPSA-N 436.475 5.630 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)S2)cc1C 9907459 XNOKXFABQVUTMD-KGENOOAVSA-N 436.537 5.094 30 40 IKEB Cc1nc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C 12520126 HFMWTEOTWVTYJJ-DENSEHQSSA-N 439.625 5.040 30 40 IKEB CC1C/C(=C/c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 12566381 CDBOJGPJMRWNAJ-IZKYPSLPSA-N 426.170 7.766 30 40 IKEB C/C(=N\n1c(-c2ccc(C)c(C)c2)cs/c1=N\C(C)C)c1ccc(Cl)cc1Cl 12654176 OTJLHBPKRUBTOY-IASNEINQSA-N 432.420 6.722 30 40 IKEB COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc2c(c1)OCO2 13568663 FRACDMYJQALVPS-XGCWNURASA-N 440.499 5.403 30 40 IKEB CC(C)c1ccc(/N=C2\C(=O)N(CN3CCN(c4ccccc4)CC3)c3ccccc32)cc1 16575787 ZUWWSQXPWCTTIU-OHYPFYFLSA-N 438.575 5.057 30 40 IKEB COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC 20196321 BDLIJEWABRRXKV-MZJWZYIUSA-N 445.346 5.713 30 40 IKEB CC1(C)CCC[C@@](C)(C#CCN2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)O1 20648827 NSPYZZFXRIZTQP-NDEPHWFRSA-N 443.591 5.229 30 40 IKEB COc1ccc(/C=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1Cl 33431396 ANUCNHYMKUTREV-DBSKITMISA-N 433.017 6.286 30 40 IKEB N#Cc1ccc(COCC2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 77191717 PJCMATRNIZNWFU-UHFFFAOYSA-N 439.559 5.286 30 40 IKEB COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc([N+](=O)[O-])c1O 100237306 MICRZJVZUUYBEL-JFLMPSFJSA-N 439.427 5.858 30 40 IKEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cc(Br)ccc1O 408750300 ZQTHKWPFPJTUEL-MKMNVTDBSA-N 444.137 5.353 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 408793587 FTHCMEULKIIOIA-DEOSSOPVSA-N 438.527 5.144 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)ccc1C 408906646 CSJQFILECWUWQI-YJMTZZNISA-N 428.557 6.369 30 40 IKEB CC(=O)Nc1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 408914503 QEJBFJKIDOZLBN-WSDLNYQXSA-N 429.339 6.211 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Cl)c1OC(C)C 408960329 DXOMDOOCYTYDMP-XDHOZWIPSA-N 446.956 5.426 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)S2)cc1 408988998 GJTDJYIZJMYPHG-PDGQHHTCSA-N 449.582 6.241 30 40 IKEB COc1cc(C)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1C(C)C 409016716 GYZYSUHEWSFAJT-LQKURTRISA-N 446.616 7.070 30 40 IKEB COc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)cc1Cl 409062962 DOXJVYAAAOWGGB-MTJSOVHGSA-N 437.952 5.648 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1 409069627 WMAXYAHVXQKNRE-SSDVNMTOSA-N 447.672 6.259 30 40 IKEB C#CCOc1c(CC=C)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 409087683 ZFPDLRGLYFRPQO-PLRJNAJWSA-N 448.522 5.270 30 40 IKEB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(O)cc2)nnc1-c1ccco1 409191290 URKKEWIATYNEMT-LPYMAVHISA-N 435.465 5.074 30 40 IKEB CC[C@@H](C)Oc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384820 LZADNALUYMXDJB-PAYBXDNHSA-N 447.538 6.276 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1OCC 2059404 VEOFHEQIAKDPSC-STZFKDTASA-N 433.891 5.801 30 40 IKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2ncccc2c1 6177579 QNDXIMOAPNZAPA-GXDHUFHOSA-N 434.926 7.308 30 40 IKEB CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc2ccccc12 8717913 XYKKRIJBBGADLH-VULFUBBASA-N 438.959 6.351 30 40 IKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2c(F)cccc2Cl)C3)cc1 8782283 IQUCGUDURTXEDY-DXPJPUQTSA-N 448.925 6.467 30 40 IKEB CN(c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12)C1CCCCC1 8809746 UGFITLSNCZNJIC-WPWMEQJKSA-N 427.504 7.014 30 40 IKEB COc1ccc(CCNc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 8844492 VYJVHYNKVQSWMR-UHFFFAOYSA-N 429.476 5.357 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 9462448 OOFYOLZPPLKISU-DRNJXZDHSA-N 430.371 5.083 30 40 IKEB CCOc1ccc(/N=C/C(=C\Nc2ccc(OCC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 10059079 FSEDIKOTDROGPS-RSYXTFCQSA-N 431.492 6.248 30 40 IKEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl 12524509 VUAKNUODZRBLQK-ZRBLBEILSA-N 441.943 5.686 30 40 IKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)c(F)c1 17098375 ICUYHGBRLZXIJT-UHFFFAOYSA-N 433.442 6.425 30 40 IKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c(F)c1 17099922 ZHOMXKMJTCLKDZ-UHFFFAOYSA-N 436.240 5.520 30 40 IKEB COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 27570839 VDQNIUKAYFRQEO-DEDYPNTBSA-N 437.854 5.616 30 40 IKEB CCCC(NCCc1ccc(OCC)c(OCC)c1)=C1C(=O)CC(c2ccccc2)CC1=O 100140064 ZJKDKFVYGHENHT-UHFFFAOYSA-N 449.591 5.386 30 40 IKEB CCCCCCCCCCCCCCCCCCOC(=O)[C@H](N)Cc1ccc(O)cc1 104268355 OZSVSBMHEZAZTL-AREMUKBSSA-N 433.677 7.067 30 40 IKEB CCCCCCCC/C=C\CCCCCCCC1=NCC[N+]1(CCO)Cc1ccccc1 104329525 CJGFHQKQMUQVGD-KTKRTIGZSA-N 441.724 7.445 30 40 IKEB C#CCOc1ccc2ccccc2c1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 408814923 GWIKFHNNZLYBQU-PMERELPUSA-N 429.519 6.678 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl 408940343 NVOMMVBBNMJINM-BACCJKGJSA-N 438.958 6.929 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)sc2c1CCCC2 409067786 ZLYHNWMFUQABKE-JFLMPSFJSA-N 434.605 6.579 30 40 IKEB N#Cc1ccc(Cn2cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 409142785 BHOBEXOYSNDBCO-OYKKKHCWSA-N 435.508 5.802 30 40 IKEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl 409369806 YQJLGFCNAIJTRD-YBFXNURJSA-N 439.338 6.794 30 40 IKEB CCCCc1ccc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)s1 585294323 PNRGUJNETNCNIO-UHFFFAOYSA-N 431.609 5.876 30 40 IKEB CC/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCCCCC1 992037 YOGWQOHIDGWWFP-AEKNLGIRSA-N 442.412 5.365 30 40 IKEB CCCCCCCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 2062753 WXDSFPLZUYEPTP-UHFFFAOYSA-N 434.319 5.921 30 40 IKEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nc2scc(C3CC3)c2c1=O 2634041 OXPQXTSASQDPJA-UHFFFAOYSA-N 437.615 5.937 30 40 IKEB C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)ccc2O1 9424260 UUMOJUBWCNJEIZ-RCDICMHDSA-N 449.890 5.035 30 40 IKEB CCc1cc(S[C@@H](C)c2nnc(-c3ccccc3)o2)n2c(nc3ccccc32)c1C#N 9468622 GISRTWMRYGBLRX-HNNXBMFYSA-N 425.517 5.825 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2nnc(C)n2-c2ccccc2)n(C2CCCCC2)c1C 9789160 RQSKGOIKLHKSJG-UHFFFAOYSA-N 448.596 5.102 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 10035309 KQYMAEBHQWVZEK-MYUZEXMDSA-N 438.527 5.762 30 40 IKEB Cc1ccc2nc(-c3cc(/N=C\c4cc(Br)ccc4O)ccc3Cl)oc2c1 12462629 XNAJEYYOLNWTDP-MYKKPKGFSA-N 441.712 6.675 30 40 IKEB C(=N/Nc1nncc2ccccc12)\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 12579016 REYMCVKMLSNCOH-AJBULDERSA-N 439.522 6.687 30 40 IKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1 13097503 SVSLTKPRECYPQG-HSZRJFAPSA-N 425.923 6.376 30 40 IKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c1 15945583 DDSPIASNYTWIRP-XTFCHBONSA-N 446.616 6.911 30 40 IKEB CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCCCC3)cc1 15945872 OUWRLHSEXYEVHV-JVWAILMASA-N 436.552 6.558 30 40 IKEB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 17097827 JKPXEUQPMGRHHZ-UHFFFAOYSA-N 432.332 6.021 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccccc4F)c3C)C1=O)cn2C 28182482 RNZYUJBZGAKCMM-ROTLSHHCSA-N 443.474 5.830 30 40 IKEB O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 35363356 YNYGOQGWNKVQHV-XLUWADSXSA-N 442.786 5.984 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463685 ZAYULZGSTFDPHX-AFUMVMLFSA-N 433.920 7.098 30 40 IKEB Cc1cccc(OC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1C 68573681 PBULMHAPFJXELA-SNVBAGLBSA-N 434.201 5.244 30 40 IKEB biogenic Cc1ccc(CN2C(=O)/C(=N/Nc3c(Cl)cc(Cl)cc3Cl)c3ccccc32)cc1 100322671 CUYMDWRPOWQJBT-LHLOQNFPSA-N 444.749 6.318 30 40 IKEB C[C@H]1C/C(=C/c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 245237026 CDBOJGPJMRWNAJ-HWGZDBTHSA-N 426.170 7.766 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H](OCc5ccccc5)[C@@]4(C)CC[C@H]32)C1 245240801 TUEREPUZRGDETH-WEGWHKJHSA-N 436.592 5.645 30 40 IKEB C[C@@]12CC[C@@]3(C)[C@]4(C)C/C(=C\c5cccnc5)C(=O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 252490117 KJQCPCBMQUPVPN-GVMQCSPUSA-N 435.652 6.608 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 253501193 MHAVMNJPXLZEIG-OUQCXBJOSA-N 438.696 7.412 30 40 IKEB biogenic,in-vitro C=CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OCC 408558692 SDLDEJWMORENKL-UHFFFAOYSA-N 431.157 6.332 30 40 IKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1CC 408852810 IMLMBBXOLHGSEK-NGIYOEEDSA-N 435.376 5.885 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 408862691 IMEJBWSBZWMHJA-FYNFDFMYSA-N 431.561 5.772 30 40 IKEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 409112609 FJTIRCGOHYPPAF-BRJLIKDPSA-N 444.850 5.206 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C#N)o2)S/C1=N/c1ccc(OC)cc1 409232605 RQOVKPMJQDBCER-VBJFXANNSA-N 429.501 5.451 30 40 IKEB COc1ccc(C=Nn2c(-c3cc4c(OC)cccc4o3)nc3ccccc3c2=O)cc1C 409283489 RLOYVSHVANDVFO-UHFFFAOYSA-N 439.471 5.018 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cc2cc(Cl)ccc2o1 409342005 DHLQADXTHLDJJV-UHFFFAOYSA-N 438.940 5.570 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(C(=O)O)ccc1OCCCC 585263997 WNDPMJWDANZPBO-ZPIFVSINSA-N 442.983 7.043 30 40 IKEB CC(C)Cc1ccc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 585294048 DITPBXTWNOTEAK-NRFANRHFSA-N 437.638 6.141 30 40 IKEB COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1434755 XEOFLJWHOWJEGJ-JIPXPUAJSA-N 438.527 5.761 30 40 IKEB COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 2103179 QHFORRWSJISXHY-WGARJPEWSA-N 428.484 5.697 30 40 IKEB biogenic CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C#N)C1 2163509 MWZUIROGVOFBTI-LBPRGKRZSA-N 437.392 6.095 30 40 IKEB Cc1cc(/C=N/c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c(O)c([N+](=O)[O-])c1 4280956 FMOYYAATLFAYGD-VULFUBBASA-N 430.460 6.342 30 40 IKEB O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)ccc1SCc1ccccc1 8762679 WCLRORKFCRCLKV-WYMPLXKRSA-N 447.343 6.745 30 40 IKEB C=CCN/C(S)=N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 8798159 BAIFHFONQQJBDB-MSXFZWOLSA-N 438.380 5.366 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccccc2Cc2ccccc2)cc1 9515459 CURZBKKYQGILDL-UHFFFAOYSA-N 434.564 6.694 30 40 IKEB O=C(/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)c1ccccc1O 16158798 YXTHQINUOANBRX-FNORWQNLSA-N 426.312 6.586 30 40 IKEB COc1ccc2ccccc2c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19850615 GAQHJFQPVLVRQA-TWKHWXDSSA-N 433.555 5.570 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)CC)s/c1=N\c1ccc(Br)cc1 27015972 WIRHSNSGLHTARS-LNVKXUELSA-N 442.382 5.746 30 40 IKEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 35646330 NNPQBCPUXTYTRM-ZDLGFXPLSA-N 433.291 6.284 30 40 IKEB CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(C)C)c4)CC3)c2c1 44167720 MWOWJWKPZVBBIU-UHFFFAOYSA-N 442.563 5.484 30 40 IKEB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 49872331 XWIMTSBJNRIAGD-UHFFFAOYSA-N 437.283 5.544 30 40 IKEB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3ccc(C#N)cc3)C2=C(O)C1 102857498 NALGZXZFZNYTQS-HHHXNRCGSA-N 447.538 6.665 30 40 IKEB CCCCCCCCCCCCCCCCSC1=C(C)C(=O)C(OC)=C(OC)C1=O 104186849 PTFWZTKVHBGPHF-UHFFFAOYSA-N 438.674 7.131 30 40 IKEB O=C1NC(=Nc2ccccc2Cl)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 408815496 HVIFBOLCSOGFSF-UCQKPKSFSA-N 443.959 6.235 30 40 IKEB O=C(O)c1ccc(/N=C/c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 408915138 VGRHIWMVXFHLFK-ZVBGSRNCSA-N 449.644 5.720 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OC)c(OCC)cc3Cl)S2)cc1 408955039 VLGFQLBAIWRZPN-YBFXNURJSA-N 432.929 5.038 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(OCC)c(OC)cc2C)S/C1=N/c1ccc(Cl)cc1 409081427 OEFXRVUINJPFGK-SXZIKPQKSA-N 444.984 6.070 30 40 IKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)o1 409163329 PQTZTKRZZCDFBS-NHDPSOOVSA-N 444.468 5.061 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccc(OC)cc1 409327552 UZSFSXHHHBLXGH-JFKCDNOJSA-N 440.341 5.228 30 40 IKEB N#Cc1c(/N=C/c2ccccc2OCc2ccccc2)oc(-c2ccco2)c1-c1ccco1 409385006 GFRWAOWVITVKKC-STBIYBPSSA-N 434.451 7.001 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(CC(=O)O)cc2)cs1)c1ccc2oc3ccccc3c2c1 1775968655 JKEMEFFSCCJVHZ-JFLMPSFJSA-N 441.512 6.173 30 40 IKEB CC[C@]1(C)C[C@@](CC/N=C/c2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 4951102 HXQQXLYXXSIJSC-JPHMPOHMSA-N 425.569 5.439 30 40 IKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 8820942 BUUCRQMEIVNDOR-PXLXIMEGSA-N 436.964 6.834 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCCC)cc2)cc1 9046640 XDMYLYYKULHGBB-XTEPFMGCSA-N 440.543 6.283 30 40 IKEB CCOc1ccc(-n2c(C)cc([C@@H]3C4=C(CC(C)(C)CC4=O)Nc4[nH]nc(C)c43)c2C)cc1 12583539 XHAYHRUOCUGOEQ-DEOSSOPVSA-N 444.579 5.725 30 40 IKEB CC1(C)CS/C(=N\c2cccc(C(F)(F)F)c2)N1C(=O)/C=C/c1ccc(Cl)cc1 14356737 RCLVYQHOWKDJRB-MCWYFQPASA-N 438.902 6.414 30 40 IKEB Oc1ccc(/N=N\c2ccc(Cl)cc2Cl)cc1/C=N\Nc1nc2ccccc2s1 16545389 OMUUILJZYRYNHW-VCVGAWJTSA-N 442.331 7.170 30 40 IKEB C=CCOc1c(Br)cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1OC 20035507 VGFZCNUHRWWHKC-YBEGLDIGSA-N 443.293 5.012 30 40 IKEB COc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)ccc1OCc1ccc(C)cc1 26464575 GDGBYQMPCKVJGT-IWIPYMOSSA-N 444.556 5.783 30 40 IKEB CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C(=O)N1CC 35041801 AAMTVNPOPSFPSV-LRXZINBSSA-N 444.984 5.630 30 40 IKEB COC(=O)c1ccccc1/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 59500722 OWQVZGVWBOBCMN-VULFUBBASA-N 449.915 6.311 30 40 IKEB Cc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1 102507235 XXNYGLZRWUNMGI-MRJHHRETSA-N 444.487 5.370 30 40 IKEB CCc1cccc2c(C(=O)[C@@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)c[nH]c12 103780589 CZDKSFLUIGHYEU-IBGZPJMESA-N 445.906 5.563 30 40 IKEB Cc1ccc(/N=C(/C(=O)c2ccccc2)[C@@H](Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1 104080787 MVHBIQWZFZKONM-WABZQMDPSA-N 446.550 6.622 30 40 IKEB COc1ccc([C@H]2/C(=C(O)/C=C/c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 104082440 ZSRYAQQDQCAALM-KHELOEERSA-N 425.484 5.186 30 40 IKEB Cc1ccc(/N=C2C(=N\c3ccc(C)cc3)/SC(=S)N/2CCC[N+](C)(C)C)cc1 104311332 GJIIXKFWGOIYRD-KJQPNGKASA-N 425.647 5.494 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc(N3CCOCC3)o2)sc2c1CCCC2 408846592 QFIATTOSPZKVMN-XYGWBWBKSA-N 435.549 5.059 30 40 IKEB CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl 408893011 BGIRKCRATDJWCU-UHFFFAOYSA-N 441.999 6.102 30 40 IKEB COc1ccc(OC)c(COc2ccc(-c3c(-c4ccccc4)cnc(N)c3C#N)cc2)c1 408979254 LTNKBICWWWFKNN-UHFFFAOYSA-N 437.499 5.466 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1Cl 409070336 FMGWGUQYCJIWDX-LUOAPIJWSA-N 435.833 5.787 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3OCc3ccc(F)cc3)c2C#N)C1 409086378 ZJPGKWAOUVGCSM-OSGIAPPUSA-N 446.591 7.239 30 40 IKEB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)o1 409174270 UTDRRBUJGQYBSK-SRZZPIQSSA-N 434.904 6.017 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3cc([N+](=O)[O-])ccc3O)c(C#N)c2-c2ccc(C)cc2)cc1 409353319 IYXLFMNSZWWXKR-RWPZCVJISA-N 437.455 6.467 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1Sc1ccccc1 409401290 AZLGPXAVDFYZLD-UHFFFAOYSA-N 433.536 6.097 30 40 IKEB Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccccc2)c1 2417597 ZRRWCRFZUFIQIJ-OAQYLSRUSA-N 436.515 5.267 30 40 IKEB N/C(=N\c1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(Br)cc1 6189600 IOOLKROBPQLDKM-UHFFFAOYSA-N 442.264 5.045 30 40 IKEB O=C1/C(=N\c2cccc(C(F)(F)F)c2)C(n2nnc3ccccc32)=C(O)c2ccccc21 8837336 ABOLGBHLVHOMKP-DIBXZPPDSA-N 434.377 5.303 30 40 IKEB CCCCOc1cccc(NC(=O)CSc2nc(C)cc(-c3cccnc3)c2C#N)c1 8964943 KZORTAUQZNCWBR-UHFFFAOYSA-N 432.549 5.233 30 40 IKEB Clc1ccc(CON=C(CSc2ccccc2)CSc2ccccc2)c(Cl)c1 12338549 TUGYVFZACNTPNE-UHFFFAOYSA-N 448.440 7.451 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccc3ccccc23)cc1 13071070 JUYXHMMZRRASHC-KNTRCKAVSA-N 430.507 6.597 30 40 IKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)c1 13425467 MLPYVDXMRMVWOG-RNIAWFEPSA-N 430.376 5.476 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)SC1=S 13941875 LHEKEQJRTNAVRD-HAHDFKILSA-N 447.581 5.815 30 40 IKEB CCn1c2ccccc2c2cc(/C=N\N=C/c3ccc4c(c3)c3ccccc3n4CC)ccc21 17130494 KCJZDFJMCCVCNA-CDSIFPFTSA-N 442.566 7.395 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1C(c1ccco1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 22500520 ZOMAHBYSHWQBDZ-NHCUHLMSSA-N 435.523 5.768 30 40 IKEB Cc1c(OCc2ccc(Cl)cc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182616 VRYCFNBHOQHNDY-CFRMEGHHSA-N 429.903 6.335 30 40 IKEB CCc1nnc(S)n1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 36611350 DDYQWZFMVVLTKS-IFRROFPPSA-N 431.732 5.144 30 40 IKEB Cc1ccc(/N=C/c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1 59104219 MIOWGRKNTZQLJO-FSJBWODESA-N 446.186 6.678 30 40 IKEB C=CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C2CCCC2)CC1 72345149 SZWKEKNXHSGPCY-UHFFFAOYSA-N 444.619 5.306 30 40 IKEB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 87493105 XQIVDOSRZQSWFL-FKYWLYPZSA-N 438.696 7.556 30 40 IKEB O=C(Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1cc2ccccc2o1 102419350 KKMSTLUWAXEZDJ-ZMOGYAJESA-N 435.277 5.904 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@H]3c3cccs3)sc2c1 102803345 SMGNDBIWXRKMJC-SELCWUDQSA-N 436.514 5.140 30 40 IKEB Cc1[nH]c2ccccc2c1/C=N/n1c(-c2ccc(OC(F)F)cc2)cs/c1=N/C1CC1 105758290 ILXJSESKBLJVHZ-HPMNTJHQSA-N 438.503 5.553 30 40 IKEB COc1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(C)cc3C)o2)S1 108165124 DBYPUMIAYZXWTI-NHDPSOOVSA-N 449.488 5.372 30 40 IKEB CC(C)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c2ccccc12 408910780 KUKCBSRTCZHGNC-PIINERKHSA-N 444.600 6.887 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OC 408944767 VASXXQAHMWZQSS-MBZYMXRXSA-N 444.962 6.934 30 40 IKEB CN1C(=O)/C(=N\c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)c2ccccc21 409110592 WXYUWMXYDXUJJD-MEFGMAGPSA-N 449.963 5.630 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(C)cc(C)cc3C)cc12 409284732 VRUITRWGUFYPSE-UHFFFAOYSA-N 437.499 5.626 30 40 IKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1 409351369 TZTSBGSUQTZASR-CQSZACIVSA-N 447.391 5.554 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C 504206198 HDTQUHRXMVKWMI-NJTWYXFDSA-N 442.728 8.638 30 40 IKEB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603623970 QNRVTOZEONEELH-UHFFFAOYSA-N 444.472 5.213 30 40 IKEB FC(F)(F)CNc1ccc(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 1083811763 MZTICLFPHCEFRX-UHFFFAOYSA-N 437.224 6.103 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1Cl 2450406 CINQVMIDPMPSEU-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB Cc1cccc(/N=C2\S/C(=C3\C(=O)Nc4ccc(C)cc43)C(=O)N2c2cccc(C)c2)c1 2807282 PGTGMJXKKDIUMY-YZYICMKNSA-N 439.540 5.743 30 40 IKEB CN1/C(=C2/S/C(=N\c3cccc(O)c3)N(C3CCCCC3)C2=O)Sc2ccccc21 4082101 FNCMHXRZFSKYSF-ZMPCKTLKSA-N 437.590 5.699 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)c1cn(C)c2ccccc12 9095956 FGLPTMSJCPRGGP-UHFFFAOYSA-N 446.576 5.127 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C 9196593 QMXZVPIOEZMFKT-BHGWPJFGSA-N 447.322 5.441 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N(C(=O)c1cccs1)[C@@H]2c1ccccc1 9482808 CJXHSLSYBRACAX-JOCHJYFZSA-N 429.545 5.600 30 40 IKEB C(=N/Nc1ccc2ccccc2n1)\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 12615197 UHMJRXYKNMEHEG-NJZRLIGZSA-N 438.534 7.292 30 40 IKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cccn1-c1ccc(O)cc1 12630857 OKAFQPQYKNPOSU-BOPFTXTBSA-N 430.316 5.381 30 40 IKEB O=C(/C(=C/c1c(F)cccc1F)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 12659785 LAMHXVFJKLZVQF-VBKFSLOCSA-N 439.259 6.027 30 40 IKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1F 16268489 OTZXKQCVSZMKLX-JJFYIABZSA-N 431.265 5.350 30 40 IKEB Cc1csc([C@@H](C#N)C(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)n1 22416131 HBUKWNYUFNWHLF-KRWDZBQOSA-N 431.546 5.107 30 40 IKEB CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c2c1 44167627 FOYJPJYCNQRMGJ-UHFFFAOYSA-N 448.954 5.322 30 40 IKEB Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccccc4)c(C)s3)cc2)c1 59193866 FGVXXUYZCIWYCQ-WGOQTCKBSA-N 427.529 6.092 30 40 IKEB CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)=C(C)C1=O 59200542 LTVDFSLWFKLJDQ-DKGMKSHISA-N 446.716 7.761 30 40 IKEB endogenous,in-man C=CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(Cc2cccnc2)CC1 72345327 AOXMWKRQXPVHDZ-UHFFFAOYSA-N 439.603 5.184 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408761789 BNYROLXUEPTYQK-WQRHYEAKSA-N 425.853 5.400 30 40 IKEB O=S(=O)(NCc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)cc1 408783187 LUMQLIYPAZDTQB-LSHDLFTRSA-N 443.739 5.469 30 40 IKEB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1ccccc1 408885994 CJKYJHMXKMMHCM-WYMPLXKRSA-N 426.860 5.067 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\Nc3ccc(C(F)(F)F)cc3)c2C)c1 408933062 HDRGAZDICGHOOU-VYYCAZPPSA-N 429.442 5.736 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N\Nc3ccc(C(F)(F)F)cc3)cc2)c([N+](=O)[O-])c1 408943879 ZJYWGLMGDUMUPT-MSXFZWOLSA-N 446.341 5.760 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409199935 FXCWIZDJBZHNBE-LGJNPRDNSA-N 443.330 6.079 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409199987 GHRRSUPEDLBJIE-FSJBWODESA-N 441.827 6.016 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)S/C1=N/c1ccc(F)cc1 409229197 LBCDDDZZSLOONK-FVGZADTASA-N 447.579 6.474 30 40 IKEB Cc1ccc(-c2ccc(/C=N\c3ccc(Br)cc3C)o2)c(Br)c1 409241845 SIDFAFXXKITBTF-JJFYIABZSA-N 433.143 6.839 30 40 IKEB N#C[C@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)c(Cl)c1 505923765 XZMWBANIQTXVAG-INIZCTEOSA-N 435.698 5.010 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 1299644 YFKCFDHHFNHUCM-SFHVURJKSA-N 442.606 5.221 30 40 IKEB CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O 2062877 MKKYDYZZUMRNHG-UHFFFAOYSA-N 435.564 6.402 30 40 IKEB N#Cc1cccc(NC(=O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)c1 2644113 WFTMCHDSTKYUJS-UHFFFAOYSA-N 449.533 5.199 30 40 IKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3)nc2c1 3191000 FHWZFSWLLWFYEV-FOKLQQMPSA-N 432.392 5.384 30 40 IKEB C=CCN1C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N/N=C/c1ccc(OC)cc1 6142065 PZZFPISBOBBHCJ-IFRDHECKSA-N 448.375 5.065 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc(OC)c1OC 6906139 PZEYYAYKLUWBBS-VULFUBBASA-N 448.910 5.422 30 40 IKEB CC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(c3ccccc3)=NN2c2ccccc2)S1 9076529 FUJXZSHIILDOHY-VWLOTQADSA-N 443.597 6.287 30 40 IKEB CN(C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)C1(C#N)CCCCC1 9884711 OIKINODONJWNAF-UHFFFAOYSA-N 439.031 5.094 30 40 IKEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(C)cc3)ccc2C1=O 11869784 KHOSNNIXTTXMDZ-ROTLSHHCSA-N 432.472 5.216 30 40 IKEB biogenic N#CCc1ccc(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)cc1 12533889 NNMUUSILSLEVIB-UHFFFAOYSA-N 447.589 5.062 30 40 IKEB CCc1cc(SCc2c(F)c(F)c(F)c(F)c2F)n2c(nc3ccccc32)c1C#N 13098504 BEMBBNWXMJJMLX-UHFFFAOYSA-N 433.405 5.909 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1cc(Cl)cc(Cl)c1 13567952 RWBSQZRGECRCOK-MRXNPFEDSA-N 430.287 5.250 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OCCC(C)C)c1 20672493 FTKOIQCQFONSLZ-DEOSSOPVSA-N 431.536 5.479 30 40 IKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O 32114812 PRJSIHAJRKCVJK-YCPBAFNGSA-N 443.793 6.099 30 40 IKEB CC1=CC(=O)[C@H](C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)[C@H]1C(=O)Nc1ccccc1 36556583 OJPIWRXLXMPYGY-NXCFDTQHSA-N 438.527 5.117 30 40 IKEB CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC 100306078 QEIJVPZRDAHCHE-UHFFFAOYSA-N 438.781 10.322 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)C1=C(CC(c3ccccc3)=CC1=O)N2 102931314 DAZPGYPCGSSAIF-MHZLTWQESA-N 447.513 6.188 30 40 IKEB O=C1C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)c2ccccc21 168342459 HKDPRTLMMVNBLZ-UHFFFAOYSA-N 439.345 5.869 30 40 IKEB Cc1cc(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)ccc1Br 226362590 GLYQYBGLDOEMPQ-DHZHZOJOSA-N 431.289 6.198 30 40 IKEB Cc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1C 408743015 YLJOHFSESGKACM-WEMUVCOSSA-N 426.563 8.179 30 40 IKEB COc1cccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c1OC(C)C 409020375 OSBUZNKBFBSXCC-BOPFTXTBSA-N 447.354 5.137 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)C1=O 409044462 CNHUWJPTALZPJC-DEDYPNTBSA-N 441.936 5.296 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 409329356 DYXPZYGKQZORSV-XDHOZWIPSA-N 445.993 5.487 30 40 IKEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)cc1 2100690 CMKMKZRPKTWFRS-XZEABINHSA-N 442.467 5.233 30 40 IKEB biogenic Cc1ccc(-c2ccc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)o2)cc1C 2137990 VPQBICXEWXSGIE-PMERELPUSA-N 447.578 8.026 30 40 IKEB C/C(=N\OCc1ccc(Cl)cc1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c(C)n1 8733650 QBMZJWBFVTWLAJ-LUOAPIJWSA-N 443.256 5.842 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1 8913920 PXAXTOAIXMWOIW-LJQANCHMSA-N 438.936 5.703 30 40 IKEB Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccnc2)c(Cl)c1 8958794 BZOMXYIEJCRHKY-DHRITJCHSA-N 440.359 5.821 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 9018955 FMELKJBETFZWAA-FQEVSTJZSA-N 425.818 5.401 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 9191629 QZJAJWSFAMOGSR-CLYVBNDRSA-N 442.515 5.599 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C 9234041 TUOYNQGJFHENKH-LJQANCHMSA-N 438.574 5.728 30 40 IKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O 9450562 AELSKUVTZRNISM-PSHHWHLWSA-N 428.415 5.368 30 40 IKEB Clc1ccc(CN/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 10118716 FOYVJGALBOBRIM-AFUMVMLFSA-N 429.745 5.805 30 40 IKEB N#Cc1c(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)sc2c1CCCC2 15838267 GQHRHOAUUBAVOU-NRFANRHFSA-N 428.513 5.205 30 40 IKEB O/N=C1\CC/C=C/CC/C=C/CC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492203 PNKVELXQIAPQHQ-YCNVSPBCSA-N 444.600 7.766 30 40 IKEB Cc1ccc(SC2=C/C(=N\c3ccccc3)c3c(O)c4ccccc4c4onc2c34)cc1 17147108 DLTLVWTVUAZCQL-SGWCAAJKSA-N 434.520 7.263 30 40 IKEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1 19314977 WJFHFMWEDHXODR-DEOSSOPVSA-N 431.532 5.187 30 40 IKEB COc1ccccc1CN/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 20763438 YIMVLYQFCYYUIB-STBIYBPSSA-N 430.935 6.205 30 40 IKEB CCOC(=O)c1sc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c(C#N)c1C 21595731 GBGGBWDJVIUELB-UHFFFAOYSA-N 428.554 5.199 30 40 IKEB COc1ccc(NC[C@H](C#N)c2cc(Br)ccc2OCc2ccccc2)cc1 26895952 XWNIDARTXJVJLR-SFHVURJKSA-N 437.337 5.756 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCOc2ccc(C)cc2)SC1=S 33783358 QXFNKSZJMXWNEQ-XSFVSMFZSA-N 445.993 5.493 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@]3(C)CC[C@@H]21 34107145 SZBWKZHLROZHJQ-VQDNAHPTSA-N 432.560 5.831 30 40 IKEB c1ccc(-c2nc(NN=C3c4ccccc4-c4ccccc43)sc2-c2ccccc2)cc1 51329856 XWIYEJFALCZHQB-UHFFFAOYSA-N 429.548 7.322 30 40 IKEB CCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1O 72334091 HDBPMOSKKYGPNZ-CVKSISIWSA-N 430.460 5.549 30 40 IKEB COc1cccc(N/C=C/c2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 100922343 XMJADWCYIUFSKA-BUHFOSPRSA-N 447.469 6.062 30 40 IKEB Cc1cc(Cl)ccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O 101650390 RBQZXKKSZSEKPP-CULCSUMMSA-N 440.327 5.031 30 40 IKEB Clc1ccc(Sc2oc(/C=N\c3ccc4c(c3)OCO4)cc2Br)cc1 101743360 MGUNXPOXDALTPO-NKVSQWTQSA-N 436.714 6.326 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1 102858971 CGUGPNGMUCWTCC-MRJHHRETSA-N 444.487 5.370 30 40 IKEB CC/C(=N\c1ccc(OC)cc1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 104287063 YWMGQEOPXZJRCW-AFUMVMLFSA-N 446.454 5.746 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408652004 CYJQPYUYBIEEDM-QDEBKDIKSA-N 443.326 6.486 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3C#N)S2)cc1 408753232 FQRSXGSTNOGISR-IWIPYMOSSA-N 439.540 5.591 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OC(C)C 408894081 DIUXQQCONAUMMG-UHFFFAOYSA-N 429.944 5.179 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c2ccccc12 408977179 HQHYEOOAPLYXTN-OGLMXYFKSA-N 426.585 7.770 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(C)cc2C)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 408977754 XJEGLGNIEBVCOS-OVVQPSECSA-N 442.544 6.838 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2CC)cc1 409011489 NNBPCPBBCYIQDO-DRIWLZCMSA-N 436.508 6.108 30 40 IKEB CC(C)N1C(=O)/C(=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 409142900 FBOIJBYODIMSTF-WEMUOSSPSA-N 449.620 5.565 30 40 IKEB CCOc1cc(Cl)c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OCC 409171785 ALCWHQJDOUVDBS-KEBDBYFISA-N 442.924 5.246 30 40 IKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Br)cc1 409211590 LUBLAKWOIRYTRJ-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(C(C)C)c2ccccc12 409278689 DTBXUCSJXLRGFD-UHFFFAOYSA-N 437.341 5.139 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)[C@H](OCc4ccccc4)CC[C@H]32)C1 2049238434 TUEREPUZRGDETH-WCEAJGRGSA-N 436.592 5.645 30 40 IKEB CC1(C)OB(c2ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc2)OC1(C)C 2237365287 IFVCJCDWYHWAEP-UHFFFAOYSA-N 427.309 5.081 30 40 IKEB N#Cc1c(N2CCCCC2)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2 2252026 VGOKXYBOJJWBQV-UHFFFAOYSA-N 437.591 5.114 30 40 IKEB COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 8456297 FEMIEZRCXCANGU-ZEHKLFRWSA-N 436.536 6.657 30 40 IKEB COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nc(C)c([N+](=O)[O-])c1C 8456687 QNPMMGIKKSPCBU-FNORWQNLSA-N 449.551 5.264 30 40 IKEB Clc1ccc(-c2nc3ccccn3c2/N=C/c2ccc(Br)cc2)c(Cl)c1 8809498 KHJGHRNLYRYWAU-WYMPLXKRSA-N 445.147 6.821 30 40 IKEB Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(SCC(=O)c3ccc(Cl)cc3)n2)cc1 12250101 GCSQZHSBUDOCQE-UHFFFAOYSA-N 444.943 6.817 30 40 IKEB Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c2c1C 13454042 JETLZMWXRUDZGC-SNVBAGLBSA-N 428.608 5.097 30 40 IKEB CCN1C(=O)/C(=C\C=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N/c1ccccc1 13475686 MGDSNVPNYWURNT-HIUAUSIRSA-N 442.009 6.280 30 40 IKEB CCOc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1O 15018320 RFVVUCLNNPKHOI-JXKYSLRESA-N 444.556 6.216 30 40 IKEB CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2 15946409 CRDYAJAOFHPMQY-CVKSISIWSA-N 438.980 6.682 30 40 IKEB O/N=C1\CC/C=C/CC/C=C/CC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492199 PNKVELXQIAPQHQ-FPNJMJGSSA-N 444.600 7.766 30 40 IKEB C(=N\N1CN(/N=C\c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1)\c1ccccc1 104231625 UCGXOCDSFKLAHV-RPGXYNDOSA-N 430.555 6.112 30 40 IKEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OC 106724724 TXKKMGQDKFEANL-HAHDFKILSA-N 429.497 5.097 30 40 IKEB Cc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c(C)n1-c1ccc2ccccc2c1 107682744 IPDUWBCGXHJDIR-FTHAZTDQSA-N 429.570 6.122 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1 224370251 PIFUVTRTPIARSO-UHFFFAOYSA-N 442.540 5.473 30 40 IKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 408691969 ADEBXXAZAUIHSM-MDWZMJQESA-N 441.312 5.903 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)S1 408721790 YOZHQEWRYSLHHQ-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/C3=C[C@@H]4C(=O)c5ccccc5C(=O)[C@@H]4C=C3)c2C)c1 408738493 ZOCQXCWYXGJCDZ-XYCPFAMZSA-N 434.539 5.895 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Cl 408766451 QVCWBPACKYWMMV-PDGQHHTCSA-N 433.360 6.012 30 40 IKEB N#CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O 408905597 BKDOZSKSSUFLQO-BGTKTZGMSA-N 439.540 5.436 30 40 IKEB CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1c(C)cccc1C 408905868 FXJVEPYBPXWZBV-BDOZFWBASA-N 442.584 6.506 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O 408917674 ZRKCZTDOROISLU-WOJGMQOQSA-N 432.328 5.550 30 40 IKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O 408940632 OIIFMJABSPBYFX-GYWSPCNESA-N 444.962 7.021 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)o1 409158425 RFAAJEUYHOCLDF-NHDPSOOVSA-N 444.468 5.061 30 40 IKEB Brc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)c(Br)c1 409187967 WANCCQJKOFVPEH-YDZHTSKRSA-N 445.154 6.541 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409200669 JMVDLTKAMRSEPI-MZJWZYIUSA-N 437.923 6.383 30 40 IKEB C(=N\c1ccc(Oc2ccccc2)cc1)\c1cccc(OCc2cccc3ccccc23)c1 409214800 YXPVUNBXVBPNPG-YQYKVWLJSA-N 429.519 7.962 30 40 IKEB Cc1[nH]c2ccccc2c1C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 409288771 BWCQTVKCMJRIOA-UHFFFAOYSA-N 446.432 5.754 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(F)cc2)[C@H](C)O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)O 2037875615 XBSXJKAFOLWXHY-WBRFWCBQSA-N 436.882 5.908 30 40 IKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O 2135470 KYAGIFOYOBVIJX-IZVPMIMASA-N 428.415 5.368 30 40 IKEB biogenic CC(C)(C)c1ccc([C@H]2C3=C(Nc4ccccc4S2(=O)=O)c2ccccc2C3=O)cc1 2420663 PKOYRACQFYEDOR-VWLOTQADSA-N 429.541 5.532 30 40 IKEB COc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1 3117110 YGNUWVNSNHDXQG-RDRPBHBLSA-N 434.495 6.833 30 40 IKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@@H]5[C@H](C)[C@@H](O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 4293645 UUQHSDXEXFGEPZ-QSWUKFPUSA-N 430.717 7.380 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC=C)cc2)cc1 9215744 SIXRAWDDQDJTPY-XTEPFMGCSA-N 438.527 6.059 30 40 IKEB Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccc(F)cc2)c1 13286051 XGHFKLYZRCEBSE-NPGCFZLRSA-N 447.560 6.313 30 40 IKEB CC(C)(C)C1=C/C(=N/C(=O)c2ccccc2)C(Cl)(Cl)[C@@](Cl)(C(C)(C)C)C1=O 26787256 OUFGOZOIEYWLPH-FXONECCMSA-N 428.787 6.021 30 40 IKEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Sc2ccccc2)cc1 32828687 WCNUAQCIHVQXMH-OAQYLSRUSA-N 431.542 5.128 30 40 IKEB CC(=O)N(c1nc(CSc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 40150609 YCRBMWHQRFHBTL-UHFFFAOYSA-N 427.982 6.262 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccccc2/C=N/Nc2nc3ccccc3s2)c([N+](=O)[O-])c1 59514323 QQMMJHDLHZUUFH-CIAFOILYSA-N 435.421 5.351 30 40 IKEB O=C(/C=C/C=C/c1ccccc1)C(C(=O)/C=C/C=C/c1ccccc1)=C1SCCS1 100435946 OVOLHPLRXFFCOQ-FVRNMFRHSA-N 430.594 6.355 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NC(=O)Nc1ccccc1OC 104379990 WJBJHSKWTNKJNY-UHFFFAOYSA-N 432.649 7.605 30 40 IKEB CCn1c(N/N=C/c2cc(Br)c(C)c(Br)c2)nc2ccccc21 408692327 JXFGFYABNAMRPQ-KEBDBYFISA-N 436.151 5.336 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408976403 QZHYBTWTGVRQQT-AFUMVMLFSA-N 448.935 6.793 30 40 IKEB C#CCN1C(=O)S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O 409045803 IBUUWTAPUNSCEN-HYARGMPZSA-N 433.916 5.742 30 40 IKEB CCOc1cc(/C=N/n2c(S)nnc2-c2ccccc2)ccc1OCc1ccc(C)cc1 409061882 JOKYYDDRNBIPAV-WGOQTCKBSA-N 444.560 5.402 30 40 IKEB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3cc(C)ccc3C)cc2Cl)c1 409215149 ZYPXJMMAKURDBY-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 409365411 ZLDFPLKQXULVAP-PXLXIMEGSA-N 444.512 5.080 30 40 IKEB Cc1ccc(COc2cccc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2)cc1 409402317 HFNUXYNWLZOGKK-UHFFFAOYSA-N 445.522 5.833 30 40 IKEB CC(C)(C)Oc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409406470 QSTYNZJQNQWGNW-UHFFFAOYSA-N 442.475 5.031 30 40 IKEB C=CCc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(OCC)c1OC 1531383325 FLRXMRVXLLENNO-MTDXEUNCSA-N 439.515 5.082 30 40 IKEB N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 865633 DBSYBNNTKIBHEC-HOTGVXAUSA-N 445.832 5.321 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C)o3)sc2c1 1455682 FEHGALZIAVUEEC-NRFANRHFSA-N 444.512 5.543 30 40 IKEB O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1Cl 1793192 IGBNYMXRBBOXEL-KHUIZHDGSA-N 435.936 5.505 30 40 IKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2c3ccccc3cc3ccccc23)cc1 4506597 BIQMPKOUVFGZMK-QRQIAZFYSA-N 436.584 7.094 30 40 IKEB C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)C/C=C/C(O)(CC)CC)=CC[C@@H]23)C[C@@H](O)C[C@@H]1F 4802676 LRLWXBHFPGSUOX-GJQYOBCGSA-N 442.659 7.158 30 40 IKEB investigational N#Cc1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)o1 9233901 VBNGACPOONQMPX-OEAKJJBVSA-N 438.533 6.377 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cccc(Cl)c1 9308122 RUPLJOWDPHVEDE-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB C=C(C)Cn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 9461891 TYUVPQDJSGGILT-UHFFFAOYSA-N 442.628 6.455 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(Br)s2)S/C1=N\c1ccccc1 9720639 HTFUJRNXZFWFNP-WOWDFQAJSA-N 437.384 5.151 30 40 IKEB COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)ccc1OCc1ccccc1 14257287 CXJNHLANPRLTRL-XZKXACHFSA-N 430.529 5.508 30 40 IKEB CN(C/C(O)=N/c1nc(-c2ccccc2)cs1)C/C(O)=N/c1ccccc1C(F)(F)F 24831505 ZYTUIPUGIQCYEC-UHFFFAOYSA-N 448.470 5.637 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1 33785406 XJFFXHOOCWIDJO-YUMHPJSZSA-N 432.520 5.270 30 40 IKEB CC(C)c1ccc2nc(SCC(=O)NCCc3c[nH]c4ccccc34)c(C#N)cc2c1 35288921 BBXJOCZXMBGFQQ-UHFFFAOYSA-N 428.561 5.162 30 40 IKEB C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 36352124 LYFJQNSFHABRNL-RSXGOPAZSA-N 430.935 6.456 30 40 IKEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1 97944934 WZZYFYYJSCDNGW-OCTOJFLBSA-N 438.528 6.065 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1cccc([N+](=O)[O-])c1 408557401 NFQQYXFVRUJOCR-UHFFFAOYSA-N 442.107 5.297 30 40 IKEB O=C1CCCC2=C1C(c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C1=C(CCCC1=O)N2 408603058 PWFFQWUPCZZGQT-UHFFFAOYSA-N 438.867 5.209 30 40 IKEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 408691928 YKQTYPLBHHRSRH-JLHYYAGUSA-N 437.333 6.241 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(I)cc3)c2C)cc1C 408740226 JINXULIIGDGFIT-QRVIBDJDSA-N 428.317 6.066 30 40 IKEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc1 408744080 YPGDYNZEYSORHT-PDGQHHTCSA-N 430.371 5.187 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1ccc(Cl)cc1 408751172 XIXCJIRKJCFWCY-VROXFSQNSA-N 447.278 5.330 30 40 IKEB C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 409010674 DFDQJMNDYZJZDL-TURZUDJPSA-N 444.600 6.975 30 40 IKEB CCn1c(C)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cc(C)ccc21 409041190 ZPWCVMRTLXGOLL-IJFXDBOGSA-N 431.355 6.299 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1 409207865 BQUWMIWACLWYDT-CVKSISIWSA-N 438.365 6.794 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1C 409216281 JQIPKQUMHQBRCF-DNTJNYDQSA-N 441.119 5.042 30 40 IKEB CCOc1cc(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1C(C)C 409283983 RUJFNQUEFOOATP-UHFFFAOYSA-N 431.580 6.157 30 40 IKEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1c[nH]c2ccccc12 409320206 PNKQJQVECDPHGI-UHFFFAOYSA-N 449.352 5.570 30 40 IKEB CCOc1ccc(-c2ccc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 409403598 IMRGTUJYCJZGMQ-UHFFFAOYSA-N 435.483 5.604 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 1456566 NFVGQWMKSVJSOC-HXOBKFHXSA-N 437.561 5.015 30 40 IKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1cccc2ccccc12 8821205 RCEBYMMGKVZXEI-VCHYOVAHSA-N 432.854 6.404 30 40 IKEB C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1 8869655 XMADWHRVMGSSLZ-VWLOTQADSA-N 437.495 5.724 30 40 IKEB Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc2ccccc12 9261291 IAHJEHCUERBSJE-BUVRLJJBSA-N 441.531 6.278 30 40 IKEB COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9731752 VGBRQKMWBAOVAT-NRFANRHFSA-N 434.927 5.265 30 40 IKEB COc1ccccc1-c1nnc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 11388581 OHTXOTIBCSORPK-HFITWMCCSA-N 435.549 5.106 30 40 IKEB COc1ccc2cc(C(=O)/C=C/c3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)ccc2c1 16035570 FCXKTSWSJZFHKR-OQLLNIDSSA-N 438.483 6.421 30 40 IKEB N#C[C@H](N)c1ccc(OCCCCCCCCCCOc2ccc([C@@H](N)C#N)cc2)cc1 31870863 HAUCJFOUGDOZIP-UIOOFZCWSA-N 434.584 5.312 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 96936325 JQFLEOSSGQGCKX-BRBBDLJVSA-N 426.538 5.117 30 40 IKEB CN(C)c1ccc(NN=C2SC(=N\c3ccccc3)/C(=N\c3ccccc3)S2)cc1 104311804 FJWOBPMTNRHOOZ-AOOXNXMESA-N 431.590 6.376 30 40 IKEB Cc1cccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)c1 251188493 LUOONSUCHMOYNB-XTIHSXFESA-N 439.511 5.669 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 408738978 QSZAMDYVHBPUOK-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 408793467 FAMFCCYAXNJHEG-DEOSSOPVSA-N 438.527 5.144 30 40 IKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(F)cc1 408931185 IDTJNODEOPDEJQ-MTDXEUNCSA-N 434.511 5.391 30 40 IKEB O=[N+]([O-])c1ccc(-c2csc(N/N=C/c3cccc(OCc4ccc(F)cc4)c3)n2)cc1 409064959 JPFGIGJTVWPOCL-DHRITJCHSA-N 448.479 5.882 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3OCc3ccccc3F)c2C#N)C1 409082401 JCKYTGSDDNGRSM-OSGIAPPUSA-N 446.591 7.239 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1C 409199944 FXZYAKVVEMMDLQ-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB Cc1ccccc1-c1nc2cc(/N=C/c3cc4c(cc3Br)OCO4)ccc2o1 1445267 HYVIWFNKWSDMNG-BHGWPJFGSA-N 435.277 6.045 30 40 IKEB C=CCc1ccccc1OCCCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O 2352770 GRBSASOSARPFFI-UHFFFAOYSA-N 440.543 5.660 30 40 IKEB N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1 3360366 BTMFXRUJRXXGFY-UHFFFAOYSA-N 447.903 5.284 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 6924755 BIRITQJQAYKAJL-DHRITJCHSA-N 427.485 5.524 30 40 IKEB FC(F)(F)C1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccco2)C(Cl)=C1 8445278 LSGIMDNMXDIOGH-UHFFFAOYSA-N 437.649 5.144 30 40 IKEB CCOc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)cc1 12482493 JUZCJUQFXHJUHO-CYYJNZCTSA-N 431.605 6.870 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C#N)C1 14273282 UQJPUUNWCIKUBC-HXUWFJFHSA-N 444.600 6.602 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1cccs1 15826261 WMYGIGQHVGXWGL-QHCPKHFHSA-N 447.560 5.867 30 40 IKEB CCN(CC)CC(C)(C)C(=O)/C=C\c1ccc(/C=C/C(=O)C(C)(C)CN(CC)CC)cc1 17174738 RHKBXWCHOOPPSM-YAFCTCPESA-N 440.672 5.587 30 40 IKEB COc1ccc([C@@H]2Nc3ncc(Br)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 18244360 RVGOTZRJQBHRCH-IBGZPJMESA-N 428.330 5.075 30 40 IKEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCN(c3cccc(C)c3)CC2)n1 19820620 XBQBIBRMPYRWRX-UHFFFAOYSA-N 435.984 5.026 30 40 IKEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 36611378 QPMOZBKJMZHMJW-SSDVNMTOSA-N 428.901 5.276 30 40 IKEB CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1OC 408775658 QYZQSZYOWPUPAM-QRQIAZFYSA-N 448.588 5.715 30 40 IKEB CCOc1cc(/C=N\Nc2ccccc2)c(Br)cc1OCc1ccccc1 408850733 DHMQWGIRBKEZFH-IWIPYMOSSA-N 425.326 5.873 30 40 IKEB CCOc1cc(/C=N/n2c(C)nnc2S)cc(Cl)c1OCc1ccc(Cl)cc1 408863458 SACHOXQVMOZFJT-LSHDLFTRSA-N 437.352 5.042 30 40 IKEB CCOC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1-c1ccccc1 409117669 OMMIIPWELUTOJK-UHFFFAOYSA-N 434.561 5.618 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409209912 GWMBZNXWGCTORL-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409215223 YYDHSTAODGTIOR-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccc(F)cc2)N(CC)C1=O 409228741 DLMSOSNTCJASBB-VDQGFZQOSA-N 430.504 5.615 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC(C)C)c1 1531297123 NNRHVDQVRXYBPG-ZVHZXABRSA-N 442.357 5.171 30 40 IKEB Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccccc2)cc1 2428656 MYPMKLZNDNABPC-OAQYLSRUSA-N 436.515 5.267 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1Cl 2450589 KUHKWLKEIMHZTL-UHFFFAOYSA-N 426.973 5.639 30 40 IKEB O=C(Nc1ccccc1C#CC#Cc1ccccc1NC(=O)c1ccccc1)c1ccccc1 3845167 VWVQIHLGEPJOSJ-UHFFFAOYSA-N 440.502 5.594 30 40 IKEB biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 4027531 UOCUEIOMIAYZNI-NKLALCCJSA-N 428.613 5.468 30 40 IKEB biogenic CC1(C)CC(/N=C2\C=CC3=N[C@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 4763026 VSDVPTFEBFDIBD-DEDZXOFESA-N 432.656 6.065 30 40 IKEB CCCCCCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 6149648 IQXCHKVPMKFAJC-RUZDIDTESA-N 449.635 7.459 30 40 IKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccc([N+](=O)[O-])cc1 8826424 WUCMEJGUBJBTTA-QHCPKHFHSA-N 436.475 5.630 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccccc4F)ccc3C1=O)cn2C 9422209 RKOXOYIDMKXDCP-BHGWPJFGSA-N 443.430 5.161 30 40 IKEB COc1ccc(OC)c(CNC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 20228914 WQYSNAYMDLKYEU-UHFFFAOYSA-N 439.433 5.577 30 40 IKEB N#Cc1cccnc1Oc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 32932340 ZLMHMGXECIMAPD-UHFFFAOYSA-N 427.485 5.213 30 40 IKEB N#CCCN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1cccc(Cl)c1 34863266 YVSKWZKULORQIX-QFIPXVFZSA-N 442.009 5.357 30 40 IKEB Cc1ccc(NC(=O)CO/N=C\c2c(OCc3ccccc3F)ccc3ccccc23)cc1 34888416 FRDNCZMEINCBBC-MWLSYYOVSA-N 442.490 5.856 30 40 IKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1CC 59105186 JEJCMCZMRJCVID-QFGKFHJGSA-N 445.382 5.340 30 40 IKEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)S2)c1 83316869 FQFYAFIRMXPZRE-MTJSOVHGSA-N 432.501 5.022 30 40 IKEB Cc1n[nH]c2c1C1=C(C(=O)[C@@H](C(C)(C)C)C[C@H]1C(C)(C)C)[C@H](c1ccc(N(C)C)cc1)N2 100998597 JVUXTMQBVQQAIR-MSYCTHLASA-N 434.628 6.002 30 40 IKEB CCCCCCCCC[C@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C 101029648 MEFGTSQMHVIFOC-RLIQFMLLSA-N 435.696 7.996 30 40 IKEB C[C@H]1/C(=N/O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 104376107 ZISSOKXBDZMEDP-IYJRRKJTSA-N 441.744 8.718 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3ccc(OC)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722344 HNGKBDCABQIFFT-WGOQTCKBSA-N 443.528 6.707 30 40 IKEB O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)NCCc1ccccc1 408804719 GWTWKMBSROLVIR-MWLSYYOVSA-N 426.438 5.194 30 40 IKEB CCCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408913398 QMGSVWBSXBYENU-DNLCFCFBSA-N 429.929 5.961 30 40 IKEB CC(C)n1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 408917420 UEZNRXREDWKEKD-PNTLFUMMSA-N 441.556 6.619 30 40 IKEB COc1ccccc1NC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 409066087 VMUAKUDKWHUFIF-JFLMPSFJSA-N 445.544 5.275 30 40 IKEB COC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 409121997 YALDFPOOSSMBPK-QRVIBDJDSA-N 426.881 5.937 30 40 IKEB C=CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3Cl)c3c(CC)cccc23)C1=O 409128043 KNCUKIBSJIZNIW-BKUYFWCQSA-N 436.964 6.128 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1 409200062 GKWKUYATLGFMMJ-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1 409214963 VNDHOXTXTURCBX-WKULSOCRSA-N 434.366 8.093 30 40 IKEB CC[C@@H](C)Oc1ccc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409288177 DNWLKTAUHRBMBF-GFCCVEGCSA-N 448.748 5.180 30 40 IKEB C/C=C1/C(=O)[C@H]2[C@@H](CC[C@@]3(C)[C@H]([C@@H](C)CCC(=O)OC)CC[C@H]23)[C@]2(C)CC[C@H](O)C[C@H]12 1076120234 SXDZXAFUWCERDJ-MWSZWMFPSA-N 430.629 5.331 30 40 IKEB COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 878313 QDEHJTSYTDHTBW-DEOSSOPVSA-N 430.548 5.246 30 40 IKEB Fc1cccc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)c1 1434982 BPMVRUHZIQKVBE-YSURURNPSA-N 439.240 5.876 30 40 IKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1515279 LRAOFPDEFXCXNX-STZFKDTASA-N 431.473 5.065 30 40 IKEB C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)c1ccccc1 2181382 CUNJYZJOJJYKJT-HEOQCTJZSA-N 449.576 6.156 30 40 IKEB N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1 8451074 DAKKPGLQMOPWPR-UHFFFAOYSA-N 427.554 6.080 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C 8818091 UMCKCXRFQIFVNZ-SFHVURJKSA-N 442.899 5.335 30 40 IKEB C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)ccc2O1 9424261 UUMOJUBWCNJEIZ-PEBXRYMYSA-N 449.890 5.035 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCCC1)[C@@H]2c1ccco1 9504740 NMTCAHBUBMEBCI-AREMUKBSSA-N 447.579 5.345 30 40 IKEB C=CCn1c(SCC(=O)c2oc3ccccc3c2C)nnc1[C@H]1COc2ccccc2O1 9578521 SWKGAJHBMAUKTG-OAQYLSRUSA-N 447.516 5.006 30 40 IKEB COc1ccccc1/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1OC 9907447 DHRUPQPUPGPOQB-SHSCQTOKSA-N 434.492 5.652 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 12194191 RITAFLIKEAQDTQ-IXCJQBJRSA-N 438.571 6.791 30 40 IKEB CC/C(=N\c1ccc(OC)cc1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 13765611 LVIVRHLTRAQGTI-AFUMVMLFSA-N 446.454 5.334 30 40 IKEB COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 13943302 LSXATXKKAPZBLS-ZBNITPKASA-N 444.512 5.198 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@H]2c1cccc(Cl)c1 16971940 OUFYNXNDCTWGAL-FQEVSTJZSA-N 436.968 5.705 30 40 IKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc([N+](=O)[O-])c1 17099229 CPVPTGYDVVTIBS-JOCHJYFZSA-N 434.883 5.442 30 40 IKEB Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1CSc1ccc(Cl)cc1 19841897 LUHCUJWPNKMMMO-UHFFFAOYSA-N 434.008 6.644 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 100856051 IBGWKDNLDLBHBC-MNDPQUGUSA-N 435.611 5.492 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 102720578 CZGHKPKGYRKNFM-HOGKFDNTSA-N 440.524 5.485 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 118935575 BKOGUJNRCSWUNA-CWILYBBRSA-N 446.653 5.473 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 408619813 HTNIRJQPAQOOHJ-GXDHUFHOSA-N 437.333 6.323 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3C)c2C)cc1Br 408671472 YTXSLLYOUYDGMF-ZMOGYAJESA-N 436.357 5.498 30 40 IKEB Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1 408790092 NLFRGOWBUXBCON-YZSQISJMSA-N 427.529 6.904 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c1 408913197 RYBLHTAXMLIBAP-BHLGVUJGSA-N 444.556 6.069 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)S2)cc1 408955969 ZFYLJIFEUPCBSI-KGENOOAVSA-N 448.500 5.024 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2c[nH]c3c(CC)cccc23)C1=O 409133227 NBNWFYNCABFXBX-MOSHPQCFSA-N 432.545 5.582 30 40 IKEB CCOc1ccc(/N=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)cc1 409208878 CWSALWZLBZZVIQ-OGLMXYFKSA-N 425.484 6.266 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409216030 HMCLWXNMDDVIAV-ZVHZXABRSA-N 435.436 6.061 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)S1 409232972 CQCXJRCNRWKMQL-SRZZPIQSSA-N 439.943 6.087 30 40 IKEB C=CCN1C(=O)/C(=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 409390997 XAZMZJQYTKOEQL-WEMUOSSPSA-N 447.604 5.343 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2[N+](=O)[O-])cc1 3028567 SECAYEVPTUSXMI-WYMPLXKRSA-N 447.343 6.912 30 40 IKEB CC(C)c1ccc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 3201821 YJWYVTARSZYTHP-WPWMEQJKSA-N 428.472 7.039 30 40 IKEB CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc([C@H](C)CC)cc1 6632037 UYPHKGGUTMMQFG-FYHAJLKWSA-N 434.005 5.129 30 40 IKEB COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 8888204 HYENONJVQALLET-MIHXGWCRSA-N 426.343 6.727 30 40 IKEB C[C@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1sccc1C#N 9156002 IVLRFJOLVJKSBI-INIZCTEOSA-N 432.574 5.331 30 40 IKEB CCOC(=O)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)N1CCCc2ccccc21 12524553 UXKILMHPTUYOFV-NLRVBDNBSA-N 425.838 5.100 30 40 IKEB CN1/C(=C\C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)C(C)(C)c2ccccc21 12562411 CSUGHDSBSCHVAU-UNOMPAQXSA-N 443.494 5.621 30 40 IKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3C)c3cc(Cl)c(O)cc3O2)N1 12715358 DWZPVAPVXDLQKE-UUOWRZLLSA-N 443.012 6.012 30 40 IKEB O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 12960310 NKAJMJNCVXJYNQ-BGEKPKEUSA-N 436.895 5.852 30 40 IKEB CCOC(=O)Nc1sc(N/N=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 16751491 AOAAJUVZFUBWMO-CIAFOILYSA-N 425.470 5.041 30 40 IKEB N#Cc1c(N)nc2c(sc3nc4c(cc32)CCCC4)c1-c1ccc(Br)cc1 19798018 VABRHSFNZNSEDC-UHFFFAOYSA-N 435.350 5.607 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cccc(Cl)c3)c2C#N)C1 32124929 VKKQVOMPPGVJSU-AWEZNQCLSA-N 430.957 5.220 30 40 IKEB O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)CCC/C1=C\c1ccc(-c2ccc(F)cc2)o1 33247569 RBJJAWPBKHYHSE-ARHRGINZSA-N 442.461 7.705 30 40 IKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 38253912 ZGLHBRQAEXKACO-YEKXXYMTSA-N 428.657 5.727 30 40 IKEB in-vivo CCc1ccc([C@@H](CNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)N2CCCCC2)cc1 40374132 UQBJMNPDHAWDOH-HSZRJFAPSA-N 445.523 5.323 30 40 IKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(C34C[C@@H]5C[C@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 100484324 VYVUKOXGKDCJMX-DCLPAFFESA-N 436.555 7.135 30 40 IKEB C[C@H]1CC[C@@]23CC[C@@H]4[C@](C)(CC[C@@H]5[C@@]6(C)CC/C(=N\O)[C@H](C)[C@@H]6CC[C@@]45C)[C@H]2[C@H]1OC3 257345412 SMVBJUJFMSJJCO-GETLZLPQSA-N 427.673 6.927 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 408765422 PMNDBYPMEUCLPL-BKUYFWCQSA-N 433.489 5.617 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N2C)cc1 408908749 RTRLJWYMIDKKAZ-DSEZMCGYSA-N 443.355 6.796 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)o1 408911398 NJUPOBMOSNCURJ-QMSJJHEMSA-N 447.516 6.176 30 40 IKEB Clc1cc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)ccc1Br 408931014 GBKQPZLOYJUVTK-ZVHZXABRSA-N 445.744 5.950 30 40 IKEB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccc(C)c(C)c3)cc2Cl)c1 409210500 JFOHMDNPQDTTMP-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)S2)c1 409221584 SIBVCFBECFVEJB-BUVRLJJBSA-N 441.531 6.029 30 40 IKEB COc1ccc(/C=C/C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 409278481 FPILBOMQFZCQFQ-ODURJWAJSA-N 449.432 5.638 30 40 IKEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cccc(F)c1 409326814 OOYKIPOKIFSQFK-UHFFFAOYSA-N 428.305 5.228 30 40 IKEB CC(C)c1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1 1081802657 SRRCNBDSXVCQOE-IIHIVLJSSA-N 426.468 5.573 30 40 IKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1NC(=O)c1cccs1 728972 CTZROLIJCRVSTP-UHFFFAOYSA-N 449.535 6.649 30 40 IKEB aggregator N#CCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 3294833 XFMZCADOFRXLOQ-UHFFFAOYSA-N 442.519 5.475 30 40 IKEB CCOc1ccc2c(c1)S/C(=C1/C(=O)c3ccc(Cl)c4c(Cl)ccc1c34)C2=O 8870402 AENOFEOICSGDEY-RELWKKBWSA-N 427.308 6.441 30 40 IKEB N#Cc1ccccc1OCC(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 9509621 GXWHJKQPLONJKM-UHFFFAOYSA-N 429.476 5.565 30 40 IKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 10118765 BSAQZKAJOCNFEG-JFLMPSFJSA-N 429.347 6.095 30 40 IKEB COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 12445977 KKRCBYMADURPBY-XSFVSMFZSA-N 429.472 5.703 30 40 IKEB biogenic,in-vitro COc1ccccc1/C=C1\Oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc2C1=O 13627805 KIBAHLQTUMZVBC-DICXZTSXSA-N 436.463 5.726 30 40 IKEB COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1OCc1ccccc1F 16227618 MIYFSRPUHNPORV-HYARGMPZSA-N 434.492 5.305 30 40 IKEB Oc1ccccc1/C=N/c1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1 16449123 ZCTHBMAKHKOVOW-LPHFKDDMSA-N 433.467 6.407 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C#N)C1 17096129 QDCGXDOIVZLMAF-SZMVWBNQSA-N 428.598 5.547 30 40 IKEB CCSc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1 22906514 LBCDOWUGMZVSKS-UHFFFAOYSA-N 433.602 5.542 30 40 IKEB COc1cccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)c1 28182714 WZAIHFAOJMPCHQ-ZRGSRPPYSA-N 441.483 5.391 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@@H](C)C3)C2=O)c2ccccc21 28182838 NZJVEMLDYNICJQ-RMHKOLRHSA-N 430.548 5.461 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 59459390 XJBQCMMZLVEPGN-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB Cc1cccc(Nc2nc(N/N=C/c3cccc(F)c3)nc(N3CCC(C)CC3)n2)c1C 59596778 ZPFZIRPGUYKSPW-CVKSISIWSA-N 433.535 5.053 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)sc1C 102514789 KHMLZOLRNZHSSP-GHNGSUTGSA-N 442.899 5.179 30 40 IKEB CCN1c2cc(C)c(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C 260568106 NHNNEHIDLKDWHV-RIASEESXSA-N 433.621 6.341 30 40 IKEB C=CCOc1c(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cccc1OC 408526724 BYOOGJAJUBIYLU-YVLHZVERSA-N 435.929 5.458 30 40 IKEB CC[C@@H](C)Oc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931786 QGXQZKZSBPZNNC-DTVDJLOLSA-N 447.373 5.222 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2CC)cc1 408959675 CYZMTLUKHSDWRW-CMEWOCMCSA-N 435.593 5.618 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1c(F)cccc1F 409009995 AWYIDTWRDSCZHD-LGJNPRDNSA-N 435.455 5.754 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O 409043132 PZEZPSRAQNWNHA-WOJGMQOQSA-N 432.328 5.550 30 40 IKEB O=C1CCCC2=C1C(c1cccc(OCc3ccccc3Cl)c1)C1=C(CCCC1=O)O2 409071002 PRPLJGWDSDYEFI-UHFFFAOYSA-N 434.919 6.047 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1 409202983 VLXPCEOYEBFNQG-DHRITJCHSA-N 444.756 6.749 30 40 IKEB Cc1cccc(COc2ccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)c1 1531383554 KUHGKGNMFHIPJK-NDZAJKAJSA-N 445.522 5.833 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1 2193654 ZABZCKZOXNRPKG-UHFFFAOYSA-N 439.599 6.572 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1Cl 2816358 HDVSUEUVHKWKQS-ASIDMNOUSA-N 443.246 6.311 30 40 IKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O 3195147 XJIORJRAKUASEK-UHFFFAOYSA-N 429.516 6.158 30 40 IKEB O=C1c2ccccc2C(=O)c2c1ccc1c2C(=O)/C(=C2\C(=O)c3cccc4cccc2c34)S1 3845263 HVUVNUIHNRKCDW-XAYXJRQQSA-N 444.467 5.511 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccc(OC)c(OC)c3)c2C#N)C1 4156084 UDUQVXVCJJJQOK-INIZCTEOSA-N 426.582 5.359 30 40 IKEB c1ccc([C@H]2C/C(=N/N=C3\C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 4348860 YRRHIUDRTJZIPK-YDQIVOIQSA-N 444.534 6.928 30 40 IKEB CCc1ccc2oc(-c3cc(/N=C\c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3O)nc2c1 12413494 HTOIHDNUQHVOHQ-KSEXSDGBSA-N 448.391 5.035 30 40 IKEB Cc1ccc(/N=C2\SCCCN2C(=O)Cc2c(Cl)cccc2Cl)cc1Cl 12635578 SPNQELREYYCJDW-NMWGTECJSA-N 427.784 6.151 30 40 IKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1 12985602 QFLFNHBQXBXWIO-PKNBQFBNSA-N 444.478 6.359 30 40 IKEB Cc1ccc(/C(CC23CC4CC(C2)CC(C/C(=N/O)c2ccc(C)s2)(C4)C3)=N\O)s1 13756561 QXSANBYNEGSURI-DQIQZUARSA-N 442.650 6.850 30 40 IKEB C/C(=N\OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)cc1 13943725 BHUNOURHCFITPO-AJBULDERSA-N 449.510 6.173 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1)c1ccccc1 16673015 ZSLSDUADDJVJGQ-AFUMVMLFSA-N 433.920 6.129 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 18324071 HVSHJMSHWGEBHG-RUZDIDTESA-N 446.635 7.209 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 19641390 VDFSRGUKTMXNFI-KWPJTZOTSA-N 444.556 5.551 30 40 IKEB CCCCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OCC 35132648 DNFQQLMZTRGSPC-UHFFFAOYSA-N 437.580 5.698 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C 38203354 FPTGZPMOTJGPMO-QMSJJHEMSA-N 447.516 5.959 30 40 IKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)cc1 101494690 GMYSLPDDFGUHLI-SIHNDCSESA-N 429.545 5.156 30 40 IKEB Cc1cccc(NC2=C/C(=N/S(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc3C2=O)c1 103321578 HSIDQRIZCQLRKF-NFFVHWSESA-N 444.556 5.291 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OCC 408606666 JQIKWXWXUMIHSL-UHFFFAOYSA-N 431.157 6.332 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1c[nH]c2ccc(OCc3ccccc3)cc12 408887380 QIASXKMVUPALSG-QRVIBDJDSA-N 425.513 5.639 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(Br)c3)C(=O)N2CC(C)C)cc1 408913251 PQIROTCUCRBYHA-CRUFNBOHSA-N 429.383 6.018 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC 408940321 NUUAYLBDFIVHFW-HVGHKUKKSA-N 434.539 6.284 30 40 IKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409212584 NGIZDOSIOFJCJQ-YDZHTSKRSA-N 441.281 5.696 30 40 IKEB Cc1cccc(/C=N/n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1 2265290 SKBUAQMUJAYSRN-WKULSOCRSA-N 448.530 5.226 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 2431100 HJYLFSRIFGEXAK-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCCOc1ccccc1 8448440 UIXMUOYRVOTHGQ-UHFFFAOYSA-N 432.545 6.659 30 40 IKEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 8745159 ZYGKPHHJHQYFNS-SFHVURJKSA-N 441.560 5.312 30 40 IKEB O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]23)cc1 8762842 LRZMINYCHKGPFT-CBGPCMNSSA-N 443.503 5.829 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1Oc1ccc(Cl)cc1Cl 8857347 VEGGJODGVCPKGF-UHFFFAOYSA-N 443.639 7.392 30 40 IKEB CC[C@@H](C)c1ccccc1OCCCOc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 8874983 ALPLUMUZFQUUBP-PZLSILOWSA-N 447.535 6.402 30 40 IKEB Cc1ccc2cc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c(Cl)nc2c1 9345079 LFHDFAJBDCQQEU-LUOAPIJWSA-N 429.936 6.314 30 40 IKEB CCOc1ccc(-c2cs/c(=N\N=C\c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 9404984 GGXOALVVEWKMBW-ICIUVLAYSA-N 443.528 5.268 30 40 IKEB CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 9562811 DHNKGZRZFTXMAC-HSZRJFAPSA-N 440.572 5.180 30 40 IKEB CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 9805291 ZWOYZOAVXBSZMW-FWUCURJTSA-N 444.578 7.425 30 40 IKEB C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 13149828 VFJFICFGMPMJPG-BJMVGYQFSA-N 432.270 5.217 30 40 IKEB COc1ccc(CN/N=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1OC 20196722 XMYNEGJNMWBAAY-CCVNUDIWSA-N 431.458 5.254 30 40 IKEB CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 27132384 SQIMEHPZUAUYAC-UHFFFAOYSA-N 429.545 5.490 30 40 IKEB Cc1c(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 32189138 FMKZYCFZDCXDQH-ZMOGYAJESA-N 436.855 5.057 30 40 IKEB CCCCCCCCCOc1ccc(-c2ccc(CCCCCCCCC)cn2)c(O)c1 98044746 QMGYWYBIYBRMPG-UHFFFAOYSA-N 439.684 8.877 30 40 IKEB CC(C)/C(Cl)=N\OC(NC(=O)Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F 100679930 UDEMUCNRHRKLCJ-KIBLKLHPSA-N 440.171 5.507 30 40 IKEB Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc(Br)cc(Cl)c1O 100944667 KSJYUJRNBIRKMZ-BHGWPJFGSA-N 440.728 6.410 30 40 IKEB Cc1cc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)c([N+](=O)[O-])cc1C 101286116 VDNACYNCETZKJD-AFUMVMLFSA-N 426.432 6.130 30 40 IKEB C=CCC(C(=O)Nc1ccc(OCC(C)C)c2ccccc12)(c1ccccc1)c1ccccc1 225935854 BEWUFNOABASBTE-UHFFFAOYSA-N 449.594 7.376 30 40 IKEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(/N=N\c4ccccc4)cc3)C2=O)c1 408535365 NUELQQUAOXYLPP-BKOKDNAXSA-N 425.448 5.012 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c(C)n1C1CCCC1 408784937 WWEPMSLIDRHRFM-UNOMPAQXSA-N 444.398 5.874 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2Cc2ccccc2)cc1 408912123 LWTTULTVNXEDRL-LBMUFILHSA-N 429.501 5.707 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408938090 KJJBANPKBSNGBJ-JBVRPXIZSA-N 430.551 7.426 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1O[C@H](C)CC 409215594 BXWKEXQPXQGUTE-VIXPHPPQSA-N 438.637 7.097 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)CC)cc1 409317270 ONKGWXMOAAGMEY-HNNXBMFYSA-N 442.357 5.171 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 811229 ZYVPCBFLZWXWBQ-LVXARBLLSA-N 444.575 5.066 30 40 IKEB O=C(OCC#CCSc1nc2ccccc2s1)c1sc2ccccc2c1Cl 2364116 CAORSIGXIXVGMJ-UHFFFAOYSA-N 429.975 6.117 30 40 IKEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccccc3F)ccc2C1=O 2412398 NSHFAQYXXFWOPF-MYKKPKGFSA-N 436.435 5.047 30 40 IKEB Cc1c(C(=O)N(C)C)sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1C#N 2761686 VSSCAJXDBVEWFM-FQEVSTJZSA-N 435.574 5.102 30 40 IKEB COc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1Cl 3050628 KFLDXBDMQXEMAV-WYMPLXKRSA-N 441.712 6.670 30 40 IKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 3196751 XBOZAJCIZDUTDR-UHFFFAOYSA-N 429.516 6.158 30 40 IKEB C=CCn1c(S(=O)(=O)Cc2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 6181445 PYYWMXCRXGFFHR-UHFFFAOYSA-N 448.975 6.030 30 40 IKEB COc1c2c(cc3c1[C@@H](C/C(=N/O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 6262260 DXIVGIUXGUGYMH-MLQDUXEUSA-N 428.573 5.502 30 40 IKEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 8450423 HGAINDXZJVTMOM-JJIBRWJFSA-N 425.484 5.143 30 40 IKEB N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1 9261215 KSEKEIZJSKVVQT-KEBDBYFISA-N 438.867 5.847 30 40 IKEB C=CCn1c(SCCCC(=O)c2ccc(Br)cc2)nc2ccsc2c1=O 11269125 LGLUPJKUOOPUSN-UHFFFAOYSA-N 449.395 5.162 30 40 IKEB CCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(CC)cc3)S2)cc1 11690582 HOBDPAANGFGAPM-ZCBHOAFYSA-N 437.609 5.372 30 40 IKEB COc1cc(C(=O)Oc2ccccc2C#N)cc(Br)c1OCc1ccccc1 14129245 ZWNKKVHMQXOYLU-UHFFFAOYSA-N 438.277 5.128 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S 15011418 LYKINMVFZJTLDV-VCHYOVAHSA-N 436.385 5.960 30 40 IKEB COc1ccc(-c2c[n+](CC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)c3n2CCCCC3)cc1 16029450 QPNKEIUKHMGPED-QFZRFWILSA-N 439.620 5.182 30 40 IKEB biogenic O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1C(F)(F)F)c1c(O)n[nH]c1N2 18196474 BBUZLNIRBWJHPO-QFYYESIMSA-N 431.439 5.154 30 40 IKEB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N(CCC#N)c1ccccc1 21683167 OAIWNGQUWHMHFK-HNNXBMFYSA-N 426.592 5.091 30 40 IKEB Cc1ccc(Sc2ccc(/C=N\NC(=S)NCc3ccccc3)cc2[N+](=O)[O-])cc1 32124705 NMRJLGWTWDZQNP-IWIPYMOSSA-N 436.562 5.053 30 40 IKEB CCCCCCCCCCCCCCCCCCSCC/N=C/c1ccc(O)cc1O 33354152 TXQJBARSXVYLGF-ZZIIXHQDSA-N 449.745 8.511 30 40 IKEB COc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)ccc1OCc1cccc(C(=O)O)c1 59678897 XVTFSOADJLFLTI-BRJLIKDPSA-N 439.851 5.075 30 40 IKEB C=C1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 73370187 IOPDFSGGBHSXSV-ZPWDLUOLSA-N 442.728 6.996 30 40 IKEB biogenic,in-vitro CCCCCCCCCCCCCCCC[C@@H](C(=O)OCC)P(=O)(OCC)OCC 100306677 GYRSANLAUWEXOF-QHCPKHFHSA-N 448.625 8.056 30 40 IKEB COc1cc(/C=N/c2ccc(Br)cc2)ccc1OC(=O)Oc1ccccc1 100852757 VRBQIFYPUQPNBP-OEAKJJBVSA-N 426.266 5.786 30 40 IKEB COc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102490623 BRFUGELAKLJUHF-MRJHHRETSA-N 437.854 5.114 30 40 IKEB COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc(OC)c1OC 102926259 RGTFLSSVQLDBIG-NRFANRHFSA-N 445.515 5.490 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(OCC)c1OCC 214634632 JRTNETBPNNYSGE-PXLXIMEGSA-N 437.561 5.757 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 408668862 FNOJMEXPYKRFMC-UHFFFAOYSA-N 438.568 6.497 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 408739032 RSLGFORNMNBLCY-MOSHPQCFSA-N 430.957 5.728 30 40 IKEB Cc1c(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc2n1Cc1ccccc1 408872276 CIAGSNRJRGJRMS-IWIPYMOSSA-N 441.531 6.029 30 40 IKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1[N+](=O)[O-] 408905717 CVQQRTZBHYSFBR-OBUXZSPNSA-N 443.528 5.750 30 40 IKEB COc1cc(/C=N/n2c(S)nnc2-c2ccccc2)ccc1OCc1ccc(C)cc1 409054556 BSGQBFXZJCHIGY-MFKUBSTISA-N 430.533 5.012 30 40 IKEB CC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1 409088023 DOXGNUBDHIAFHJ-RGKQAONTSA-N 430.573 6.984 30 40 IKEB C#CCOc1c(Br)cc(CNc2ccccc2Cl)cc1Br 409182425 MAXSNXATADGXMT-UHFFFAOYSA-N 429.539 5.489 30 40 IKEB CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1 1354262 XVRCIKLJWAGCMU-UHFFFAOYSA-N 435.549 5.252 30 40 IKEB CCOC(=O)c1sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C 2757380 SEFJWQUHBZJQRQ-UHFFFAOYSA-N 439.345 5.879 30 40 IKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 9196472 GXMJYGNTMKWMLZ-KIBLKLHPSA-N 441.189 6.831 30 40 IKEB COc1ccc(-c2c(/N=C(\O)c3ccccc3)oc3ccc(Cl)cc3c2=O)cc1OC 9327707 OWDYKAPMOGSBLO-UHFFFAOYSA-N 435.863 5.767 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9436532 YXFZMSMIGYMCDQ-OAQYLSRUSA-N 437.879 5.110 30 40 IKEB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)no2)cc1 9597827 HODYNPFGZYSSKD-OAHLLOKOSA-N 435.549 5.687 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2c2ccccc12 19418926 LHCVGGZOJLQKCZ-UHFFFAOYSA-N 449.594 6.966 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3oc(-c4ccc(C)cc4)nc3C#N)o2)cc1 19927864 KHWJAISNJZWVRK-JFLMPSFJSA-N 440.459 5.404 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1cccc(C#N)c1 20763277 BXZYUUWGCDUOMS-RWPZCVJISA-N 449.938 5.322 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(F)cc1 30738697 WFTROEHQCDJWQO-YJOHERITSA-N 427.570 5.990 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccccc1OC 102149046 JNEWENXKRSZFDP-QUOYTPRUSA-N 445.997 5.733 30 40 IKEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917979 MXZYUFNILISKBC-LIASLNQGSA-N 440.502 5.198 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 226337120 WLEPJCWSKGTSBU-RMKNXTFCSA-N 437.717 5.433 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)SC1=Nc1ccccc1 260573363 YIYPGRHCNAEFFC-OSCSYLJYSA-N 447.648 6.731 30 40 IKEB CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408532864 WKZBXJZMLFBBQZ-YBEGLDIGSA-N 437.746 5.393 30 40 IKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408541117 DUXATHLJHKTPPT-TURZUDJPSA-N 428.532 5.651 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Br)c(C)c3)c2C)cc1 408774690 MVVFHFGDZXTBOD-AFUMVMLFSA-N 439.353 6.092 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)N2C)cc1 408906716 JUPORNIZOFFQEN-KLUIENCOSA-N 436.621 6.529 30 40 IKEB C=CCOc1c(I)cc(CNc2cc(C)ccc2C)cc1OCC 409110092 RCNAWWTZQYMQAF-UHFFFAOYSA-N 437.321 5.484 30 40 IKEB CC(C)N1C(=O)/C(=N/c2sc3c(c2C(=O)Nc2cccnc2)CCCC3)c2ccccc21 409141628 ATCDIYLKZXVPDU-XAYXJRQQSA-N 444.560 5.150 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 409203542 WXTYYEDZUOKFOZ-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)c(C#N)c2-c2ccc(C)cc2)cc1 409354991 AZTUDUAKVPACKY-RWPZCVJISA-N 437.455 6.467 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCC 2066956 VMRRVSTVCGTUNH-QHCPKHFHSA-N 425.569 5.423 30 40 IKEB COc1ccc(/C=C2\CC[C@@]3(C[C@@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 8761961 LHZZMHLXKOFUGQ-UZQLOESDSA-N 448.559 5.477 30 40 IKEB COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 8820967 HYOJEGVSZALQJV-YBFXNURJSA-N 445.327 6.154 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 8915062 DRUSWDWYHSPSDA-GOSISDBHSA-N 429.259 5.073 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9070514 WOTSSRIGUXFNKR-UKILVPOCSA-N 427.460 5.402 30 40 IKEB COc1ccc2cc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c(O)nc2c1 9290825 LSIUAXAWVZWLGJ-KBKYJPHKSA-N 427.489 5.067 30 40 IKEB C=CC/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1N=C1CCC(c2ccccc2)CC1 12604626 GTUGOIOOUNBCTD-HRGWNAHFSA-N 432.549 5.773 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1O[C@@H](C)C(=O)N(C)C 13055986 LRKMWQUIXUIRLR-XYYIANASSA-N 436.335 5.144 30 40 IKEB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/Nc1ccnc2cc(Cl)ccc12 25388237 LGLHJTZKWYZCRJ-OPEKNORGSA-N 430.726 6.135 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cccc(Cl)c4)ccc3C1=O)cn2C 28182480 XQEXOSRIRMDEBW-GATIEOLUSA-N 445.902 6.036 30 40 IKEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccccc4Cl)nn32)c1 32816943 UWHJELTWDGRXQL-NRFANRHFSA-N 434.927 5.265 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)c(C)c1 32984254 YPTXDIRWQJHKKO-UHFFFAOYSA-N 431.557 6.077 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1O 38180033 NVOJACLYBDWMCH-SSVJFZKPSA-N 448.950 7.517 30 40 IKEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 70004375 SPRPKEWDKVWIRV-HSZRJFAPSA-N 447.332 5.201 30 40 IKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 97939934 HLSMWMDNSRJBQE-QGZVFWFLSA-N 427.541 5.380 30 40 IKEB Brc1cc(/C=N/Nc2ccccc2)ccc1OCc1cccc2ccccc12 408567358 MBKHFMSRWMHAJP-WGOQTCKBSA-N 431.333 6.627 30 40 IKEB Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)c([N+](=O)[O-])cc4C)o3)S2)c1 408721193 MANAZKMKFYUFTK-UUYOSTAYSA-N 447.516 5.980 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3ccc(O)c(I)c3)cc2)cc1 408904759 OFVLIUPJPSWEMR-LPYMAVHISA-N 445.256 5.548 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1 408912752 RGZFGPPHPWOSNJ-KEHMSQLFSA-N 429.501 5.960 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC)c(Br)c3)S2)cc1 408952970 NODPWWDIOHLKNX-LDADJPATSA-N 447.354 5.138 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(OCC)cc2)NC1=O 408954002 RJOMDIPTQVNXTG-XQNSMLJCSA-N 428.513 5.142 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)S2)cc1 408966517 OYPAEPWCPJYANC-OEAKJJBVSA-N 445.588 5.920 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409202092 OUHPRYMQAHVTGY-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccn3Cc3ccccc3[N+](=O)[O-])c2C#N)C1 409203867 ZJHYSBMLIANJJP-BCYKDHKFSA-N 446.576 6.279 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O)cc2)cc1C(C)C 409287878 AFYWNFDVHAIGCH-UHFFFAOYSA-N 441.531 5.482 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)c(Cl)c3)c3ccccc32)o1 409390733 GTEQGDWJRYKFDX-GATIEOLUSA-N 427.287 6.127 30 40 IKEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2[nH]c3ccccc3c2C)n1 585295086 ZPNHYEPCIOGBQE-RUZDIDTESA-N 437.551 5.312 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC(C)C)cc1 1531275252 LHEAMLZWTCHMSQ-MMTYYTLLSA-N 442.357 5.342 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)CSc1ncnc2[nH]cnc12 1554502597 RQBYULPMTBCBMF-UHFFFAOYSA-N 433.666 6.043 30 40 IKEB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 1764016 GYFJFORLMLPDHU-OAQYLSRUSA-N 443.981 5.481 30 40 IKEB CCc1ccc(/C=C2\Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1 2102639 PXNVXVSYDJWJDI-UCQKPKSFSA-N 430.456 5.102 30 40 IKEB biogenic C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 2183462 YAMQBWHQAPQMQQ-GOSISDBHSA-N 438.662 6.326 30 40 IKEB Cc1ccc2oc(-c3cccc(/N=C/c4c(C)c(Cl)c(C)c([N+](=O)[O-])c4O)c3)nc2c1 3114265 QPOLWVXENYXYMK-OPEKNORGSA-N 435.867 6.438 30 40 IKEB CSc1ccc(Cl)c(C(=O)ONC(=O)c2sc3cc(F)ccc3c2Cl)c1 3229610 AQZFTMMCSHXSPD-UHFFFAOYSA-N 430.309 5.571 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccccc1 8435053 WZCYQMKGKHOEPA-BEIQUOEZSA-N 425.579 5.469 30 40 IKEB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 8439958 GBKBSPCWGWMCGB-UHFFFAOYSA-N 435.552 6.327 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 8743750 BYVTVBKHZVAONA-BFFNPARHSA-N 429.903 5.831 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccco3)sc2c1 8744190 HQBSUXMKMRRYCF-GOSISDBHSA-N 436.514 5.296 30 40 IKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 8821004 LARXBVPZYSCFED-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB C=CCn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1ccc(CC)cc1 8834190 HKDUSUOBGFGDGC-WCWDXBQESA-N 438.574 5.309 30 40 IKEB CCOC1=C/C(=C2/C=CC(=O)C(OC)=C2)C=C(Nc2ccc(OC)cc2)c2c(C)oc(C)c21 8931645 CXDGSFVZSHXCKH-HNENSFHCSA-N 445.515 5.715 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 9477490 IDCWOTQNBMNRCN-QFIPXVFZSA-N 448.906 5.307 30 40 IKEB COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCc1cccc(C(F)(F)F)c1 12659943 YWQZRLNMGZBQLP-VZUCSPMQSA-N 428.406 5.895 30 40 IKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 15978817 RZNXCPVJWOQYTG-XYOKQWHBSA-N 438.376 5.454 30 40 IKEB C[C@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 22052850 AFBDSAJOMZYQAI-FJNPEDAXSA-N 437.355 5.628 30 40 IKEB in-vitro COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)cc1OC 33712409 FEYADLYHVICVKM-SQFISAMPSA-N 437.499 5.406 30 40 IKEB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1cccc(OC2CCCC2)c1 35211372 YFKHYGLIMXDITI-XDHOZWIPSA-N 432.467 5.918 30 40 IKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc4noc(-c5ccccc5)c4c3)o2)cc1Cl 36636061 AYEHFMQTYNBBSJ-JLHYYAGUSA-N 439.898 7.613 30 40 IKEB N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 72174967 HVPZDXDXIQZKHU-UHFFFAOYSA-N 431.801 6.667 30 40 IKEB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(/C)CC/C=C(/C)CC[C@@H]1OC1(C)C 85546176 QYIMSPSDBYKPPY-OVIVWFPBSA-N 426.729 9.816 30 40 IKEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c1C 101650329 UTYYNJRBLVOJKE-XGTYDZQNSA-N 436.364 5.200 30 40 IKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 225767276 LJSPCLBJMSPKBD-UHFFFAOYSA-N 445.390 6.885 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(C)cc4C)o3)S2)c(C)c1 408721633 VVUVWKUDKNQTTQ-JJFYIABZSA-N 447.516 5.980 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=N\c3cccc(I)c3)c2C)cc1 408758206 HMMSCEMVEWVUSZ-UCQKPKSFSA-N 428.317 6.012 30 40 IKEB CCOc1ccc(/C=N/c2ccc(Br)cc2)cc1I 408905539 YYUAUKBKUPUSJA-VCHYOVAHSA-N 430.083 5.203 30 40 IKEB CCn1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 408907576 BMUSKFJAYTWPMZ-YUMHPJSZSA-N 427.573 6.604 30 40 IKEB C/C(=N\Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(-c2ccccc2)cc1 408974656 GEUSLSKSUOBOPD-WPWMEQJKSA-N 425.513 7.166 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 409004710 YDPSEIZRGUMJGT-FXBPSFAMSA-N 434.561 5.221 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 409100703 WJJGQGLQOSVZKG-KIBLKLHPSA-N 446.385 5.196 30 40 IKEB CCOC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 409118707 PVKYMMSRGPADHQ-OYKKKHCWSA-N 440.908 6.327 30 40 IKEB CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 409201060 LOSLYZIKJTWCHC-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB C=CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1Br 409211832 OTRIAIQEXLWUQF-UFFVCSGVSA-N 443.566 6.489 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 409213454 VMTXGLFFONRTRC-MFKUBSTISA-N 437.337 5.780 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)cc1 2416932 SUVYYFFPZRTPIB-UHFFFAOYSA-N 429.499 5.393 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)=O 3206184 LCIYFIZWHQTBJU-OQNHBUHUSA-N 444.512 5.429 30 40 IKEB CCc1ccc(/N=C2\S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 8452300 APVAUAKEHDSZPH-FUQOYWQNSA-N 442.584 6.370 30 40 IKEB C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1sccc1C#N 9156566 IVLRFJOLVJKSBI-MRXNPFEDSA-N 432.574 5.331 30 40 IKEB Oc1ccc2ccccc2c1/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2 12600349 ZQZQYLXDMVCLNX-JFLMPSFJSA-N 440.593 7.513 30 40 IKEB C=C(C)CSc1nnc(SCc2csc(-c3ccc(OC)c(OC)c3)n2)s1 12935434 OWPJWOQGSNQJOP-UHFFFAOYSA-N 437.637 5.639 30 40 IKEB O=C(C[C@H]1S/C(=N/c2ccccc2C(F)(F)F)NC1=O)Nc1cccc2ccccc12 13096837 DMACXYKQWQVMDO-GOSISDBHSA-N 443.450 5.107 30 40 IKEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCc2ccc(Cl)cc2)cc1 14923676 HLKNSBFYTFERQX-OEAKJJBVSA-N 440.843 5.572 30 40 IKEB C[C@H]1CN(c2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)o2)C[C@H](C)O1 17247413 WWXYEDMQPPLPMT-DMNIGZBVSA-N 433.533 5.626 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(C)c(F)c3)c3cc(F)ccc3S2(=O)=O)cc1 32984363 MVDOBEXCDVUVAC-UHFFFAOYSA-N 425.456 5.231 30 40 IKEB CCCCCCCCCCCC[N+](C)(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 68576497 JCWAHGBNSRVFPX-UHFFFAOYSA-O 432.757 8.485 30 40 IKEB CC(C)=NNc1nc2c(N3CCN(C(=O)c4ccc(C)cc4)CC3)c(Cl)ccc2s1 72230155 XRPPBMQKWLOMKF-UHFFFAOYSA-N 441.988 5.028 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 97953159 FCJYMFBYMLQXFD-UHFFFAOYSA-N 426.561 5.109 30 40 IKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2)cc1 100295463 NISHFCQLAKMHSL-OYKKKHCWSA-N 439.309 5.226 30 40 IKEB CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OCCC)cc2)cc1 100688221 KOTPUIPFXYWVOF-NHFJDJAPSA-N 441.641 5.823 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2 408844229 BOKHPNWNIXCOTN-LQKURTRISA-N 444.556 6.062 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-] 408861067 LZBKFSOBAJHIJF-HSXGWCMRSA-N 435.549 6.086 30 40 IKEB FC(F)(F)c1ccc(N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1 408932739 DTRPCKUIYPUMPP-ZMFRSBBQSA-N 449.270 6.493 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O 408934599 BKOAEVMCLLJQFL-QQQVZRFUSA-N 430.935 6.631 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 408966331 ZYSMJPOLEYLQFE-FYJGNVAPSA-N 437.952 5.648 30 40 IKEB O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=Nc2ccccc2)N1C[C@@H]1CCCO1 409012173 JDBCRWSFKKABSX-SMLZZZFOSA-N 448.519 5.869 30 40 IKEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 409086992 IGAAGSFDTDUBGW-BRJLIKDPSA-N 444.850 5.206 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1ccc(OC)cc1 409231414 JZTOTEPNKXUOHG-LRXZINBSSA-N 438.936 6.233 30 40 IKEB COc1cccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)c1 409336707 VMYZJPARAUDTQL-RPUKTSEFSA-N 433.939 5.116 30 40 IKEB Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccccc2)c1 2417598 ZRRWCRFZUFIQIJ-NRFANRHFSA-N 436.515 5.267 30 40 IKEB O=C1C(=O)N(c2ccc(Cl)cc2)C(c2ccccc2)=C1C(c1ccccc1)c1ccccc1 3666168 IBPYBMJHCVHPPL-UHFFFAOYSA-N 449.937 6.499 30 40 IKEB CC[C@H](C)OP(=O)(O[C@@H](C)CC)[C@@H](c1cccc(Br)c1)C(C#N)C#N 4016319 NKOFMRPMDSNOGU-DEYYWGMASA-N 427.279 5.977 30 40 IKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)cc2)cc1 8820755 BEWVZOLKGNXKEO-IWIPYMOSSA-N 428.557 6.082 30 40 IKEB C=CCn1c(NC(=O)c2ccccc2)c(C(=O)OCCCCC)c2nc3ccccc3nc21 8836016 BWOZJMAKDUMVFT-UHFFFAOYSA-N 442.519 5.370 30 40 IKEB COc1ccc(-c2oc(/N=C/C=C/c3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 14408600 FWZGPHYKWFNXSV-GXCKHALYSA-N 434.495 6.918 30 40 IKEB N#Cc1c(N)nc(SCc2cccc(Br)c2)c(C#N)c1-c1cccs1 19852221 GOGJOUIPQZDUAO-UHFFFAOYSA-N 427.352 5.190 30 40 IKEB C(=N\N1CN(/N=C/c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1)\c1ccccc1 31960678 UCGXOCDSFKLAHV-NMCAYQQNSA-N 430.555 6.112 30 40 IKEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C 33367219 PMJKNFICUZIOJZ-LQKURTRISA-N 434.653 5.380 30 40 IKEB CCCCCCCCCCCC(=O)O[C@H](COC(N)=O)COc1ccc(Cl)cc1 73369135 BVVYHAXRDCAAOB-FQEVSTJZSA-N 427.969 5.647 30 40 IKEB CC(=O)N(c1nc(/C=C2/CCOc3ccc(F)cc3C2=O)cs1)c1cccc(C)c1C 96988708 PNTAYGHCAUIKAC-BOPFTXTBSA-N 436.508 5.632 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)cc1 97968962 ONSUEHPOAPMAFD-MOHJPFBDSA-N 436.621 7.125 30 40 IKEB O=C(c1ccccc1)N1C(=O)N(c2ccccc2)C(=N\c2ccccc2)/C1=N\c1ccccc1 104311528 HXWMFCLWDJULMR-ZUSIYWPSSA-N 444.494 6.229 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCCC2)CC1 257321589 WCGONRBEKOTVNB-UHFFFAOYSA-N 436.621 5.059 30 40 IKEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cccc(Br)c1 408743292 VQJBNDIEHOZAJF-ZSOIEALJSA-N 438.144 5.103 30 40 IKEB Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1cccc(Cl)c1 408762079 CMOIMZFJVXCGRT-UUYOSTAYSA-N 434.708 6.103 30 40 IKEB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCC#N)c(Cl)c3)S2)cc1 408772577 DBANQSOBOCNESX-ZZODWALSSA-N 434.348 5.058 30 40 IKEB O=C1/C(=C/c2cccc(Cl)c2Cl)S/C(=N\c2ccccc2F)N1C1CCCCC1 408872809 JDAGAFHZQPOIIB-NHTQPURVSA-N 449.378 7.069 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N\c1ccc(C)cc1 408906932 FEUWJEWRGPZHJK-DOGKOTLKSA-N 446.547 6.337 30 40 IKEB CN(C)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2C#N)cc1 408975816 NWNUJHYDABMHDC-STBIYBPSSA-N 425.919 6.955 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1 409102762 UAQBRZAGVZUQCD-KVSWJAHQSA-N 449.860 6.178 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1Cl 409209210 GWWXAQLHGZIGTE-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1 409213422 UUTWPDRFVQWPPQ-VULFUBBASA-N 438.365 6.713 30 40 IKEB CCOC(=O)c1c(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)sc2c1CCCC2 409213866 UEAHHNUHPSNIFF-KEBDBYFISA-N 437.315 5.225 30 40 IKEB Cc1cc(Br)cc(C)c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243233 WNQFNKDNHFKNCG-UHFFFAOYSA-N 431.092 5.717 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781253 LNQPVILKDZBTBG-OPAMFIHVSA-N 425.525 5.200 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 861072 YROSDODVBIPNCI-FNZWTVRRSA-N 445.534 5.673 30 40 IKEB Cc1cc(C)nc(NC(=Nc2ccccc2C)NC(=O)Nc2ccc(Cl)cc2Cl)n1 2241914 BJZMZSLYFMSXGG-UHFFFAOYSA-N 443.338 5.630 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)cc1C 3113628 NSWXYSJTCLPSCI-OPEKNORGSA-N 449.304 6.353 30 40 IKEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 9261466 AFXVEHLHXHVVBO-PBHICJAKSA-N 444.988 5.318 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 9272480 IRHZEHRSRKIZRW-FQEVSTJZSA-N 425.818 5.401 30 40 IKEB Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H]([C@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2 12589282 GIVACYCDGIYMJO-KSFYIVLOSA-N 444.604 6.299 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N1CCCC1 20218940 RCZUPGVNUAZFPH-UHFFFAOYSA-N 428.750 6.848 30 40 IKEB CCOc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 27299636 YMWPGSMIBHKRHW-HNNXBMFYSA-N 430.355 5.538 30 40 IKEB C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C 28646887 AEAWOMODYBIREN-IPTHFFCUSA-N 438.740 8.623 30 40 IKEB biogenic CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C#N)C1 57313761 YOIJJLVFJQDKTQ-GPZRYRNASA-N 430.573 6.683 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(C)=O)OC(C)=O 85480145 WSYNAKWAAXYNMW-XMMPIXPASA-N 442.637 6.286 30 40 IKEB in-man O=C(COc1ccc(/C=N\c2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 100404212 VDFBISKHNRFJLK-CFRMEGHHSA-N 443.728 5.871 30 40 IKEB O=C1C=C2C(=N[C@@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 102695572 WCSNDIBBXOJAOR-BIWUZHOCSA-N 442.562 6.597 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)S2)cc1 408532788 OYMDCTLSCQKACP-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N\c1ccccc1 408861416 ACHIYFXGYVAKER-CDYLKBEOSA-N 445.382 6.225 30 40 IKEB CCOCCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)S/C1=N/c1ccccc1 408929301 VNDXACGFXABAGW-KCBWDOQGSA-N 440.565 5.123 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)ccc2OCc2ccccc2)c([N+](=O)[O-])c1 408934443 ASZGKTYUFJWRRZ-UUYOSTAYSA-N 426.816 5.181 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)S2)cc1 408951405 JCVZYMJWTGCCQZ-FYJGNVAPSA-N 448.500 5.244 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 409211206 IHCZUPGXFFDIOA-UVHMKAGCSA-N 432.322 7.169 30 40 IKEB COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)o1 409384373 ANUQIDCJHJZVNE-SSDVNMTOSA-N 430.254 5.079 30 40 IKEB Cc1cc(C)cc(-c2nc3cc(/N=C/C=C/c4cc(Br)ccc4O)ccc3o2)c1 3034007 FXNXXLUFZLMRMB-FXLZSLRCSA-N 447.332 6.995 30 40 IKEB CCN/C(S)=N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 4136667 NNQNRYRVBVWMBP-BYEYKRMRSA-N 427.577 5.272 30 40 IKEB COc1ccc(-c2oc(/N=C/C(C)=C/c3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 6015841 QEHAEJLYBIUBNS-VLARJCKKSA-N 448.522 7.308 30 40 IKEB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@@H]21 8454386 DVJCYWWUKJRSJW-WLJAXQAKSA-N 444.600 6.200 30 40 IKEB COc1cccc(COc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1 9423947 CMIGNURCZBRVSR-AFUMVMLFSA-N 425.484 5.691 30 40 IKEB COc1ccc(-c2csc(/N=C/c3c(O)ccc4ccccc34)n2)cc1Br 14406275 ICLKMFPDRFYSQF-FOKLQQMPSA-N 439.334 6.191 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1O 15134939 ZFMBJWANEMHFFS-BHGWPJFGSA-N 437.839 5.830 30 40 IKEB Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(C)c1 20357020 GVRGFCVKOQVXOF-MHZLTWQESA-N 441.531 5.515 30 40 IKEB COC(=O)c1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(C(=O)OC)cc3)C2=O)cc1 33144986 NADWIFYTOHURMR-HOFJZWJUSA-N 446.543 5.752 30 40 IKEB CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)c2c1 38651598 MGMZPUXZYPOPDV-UHFFFAOYSA-N 434.927 5.014 30 40 IKEB CC(C)CCOc1ccc(CN2C(=O)/C(=N\Nc3ccc(Cl)cc3)c3ccccc32)cc1 46085038 LTMZONDOZQTTOI-GNVQSUKOSA-N 447.966 6.128 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc12 83302980 OTJGCGLEXCZTRA-UNOMPAQXSA-N 443.355 6.437 30 40 IKEB CCCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC 100306110 NPVCBOKHWZYJGT-UHFFFAOYSA-N 427.626 5.469 30 40 IKEB CCCCCCCCCCCCCCCC(=O)OC/C=C\COC(=O)c1ccccc1 104192845 WZXLLNLUJHYOJE-HNENSFHCSA-N 430.629 7.424 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1 408601521 KJYGWGMNPHCVLU-YBFXNURJSA-N 439.880 5.708 30 40 IKEB Cc1oc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(C#N)c1C 408957997 WZODKIGYCRALGP-OPEKNORGSA-N 443.728 6.514 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl 409080783 MWFVHNFUIKTZOK-ACWMPWAISA-N 446.959 6.713 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1C(C)C 409211767 KBVWAWCVBFBSRS-AUCMGLCLSA-N 433.371 5.798 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(Nc4ccccc4)cc3)c2)cc1C 409380105 HYFZBJRKWAGAKP-NDZAJKAJSA-N 449.554 6.815 30 40 IKEB CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2ccc(O)c(OC)c2)C1=O 3002748 FZLDJJMDDDSASE-KGENOOAVSA-N 447.512 5.098 30 40 IKEB COc1cc(OC)c(OC)cc1/C=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 8844010 XASHDOUKEFRSOZ-AFPJDJCSSA-N 438.336 5.589 30 40 IKEB O=C(ON=C(CSc1ccccc1)CSc1ccccc1)c1ccc(Cl)cc1 8857006 OUAUNVUXZGVRPX-UHFFFAOYSA-N 427.978 6.437 30 40 IKEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1 11868867 YKGHXVCGJISTFP-MTJSOVHGSA-N 441.266 5.837 30 40 IKEB CC[C@@H]1CS/C(=N\c2ccccc2)N1C(=O)CSC(c1ccccc1)c1ccccc1 13149494 BKZAEAIZWWPNJV-SKWYYERQSA-N 446.641 6.551 30 40 IKEB CCN1CC[C@](O)(/C=C\c2ccc(Cl)cc2)[C@H](C(=O)/C=C\c2ccc(Cl)cc2)C1 78067315 PYGIJQFAQRQZHN-HCYQNBKUSA-N 430.375 5.362 30 40 IKEB COc1cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)ccc1OCc1ccccc1 100384187 HWGVKJWEXXTVOC-MTDXEUNCSA-N 434.967 6.669 30 40 IKEB C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(/N=N/c2ccccc2)cc1 101153869 NDUUHVVPPBPVNQ-BPNWYJPJSA-N 438.487 5.858 30 40 IKEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@H]1c1ccc(C(C)C)cc1 101231606 VBPYAJSFZJKWKG-YDJIHCHBSA-N 440.337 5.180 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1cccc(C)c1 103792447 GZDFUFJCLKDMIW-BEIQUOEZSA-N 425.579 5.388 30 40 IKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 208247208 VWVLDCHQXCLOTH-JHAVZTMOSA-N 431.880 5.324 30 40 IKEB CCCCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC 408539208 FTFYOGXYSKNYKV-UHFFFAOYSA-N 438.564 6.172 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 408702954 WSDWNWJYGDHMKB-FQEVSTJZSA-N 448.346 5.387 30 40 IKEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Br)c2)ccc1O 408734997 IPQTWDUKUAJRTQ-ZVHZXABRSA-N 436.309 5.619 30 40 IKEB CC(C)c1ccc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)cc1 408748818 IBIYDMLFTOIBOP-LICLKQGHSA-N 448.329 5.306 30 40 IKEB Cc1cccc(Cn2cc(-c3c(C#N)c(N)nc(C)c3-c3ccccc3)c3ccccc32)c1 408979000 KTTAQJQXNJYLIW-UHFFFAOYSA-N 428.539 6.489 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(O)c3)c2C(=O)Nc2ccccc2)C1 409084118 WOLRBIVNKHDQCH-ZQZJVFIWSA-N 432.589 6.608 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c2C#N)C1 409085080 YHEUYEGJXXUGTC-WBILBPDKSA-N 432.549 6.220 30 40 IKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 409104748 FHRGBSAXRBGBKS-BUHFOSPRSA-N 435.476 5.322 30 40 IKEB C=CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1OCC 409297629 UKQAHMITGKVVKC-UHFFFAOYSA-N 431.536 5.290 30 40 IKEB C=C[C@H](CCCCCCC)[C@@H]1C2=C(C(=O)[C@H]3[C@H](C)[C@@H](C=C4CCC[C@H](C)[C@@H]43)O2)C(=O)N1O 1772591267 PMCQKTPMBJJHIX-ZISAYJLRSA-N 441.612 5.600 30 40 IKEB N#Cc1c(SCc2ccccc2C(F)(F)F)nc2c(c1-c1cccs1)CCCC2 8451008 FTEPKIXQPCTRCC-UHFFFAOYSA-N 430.520 6.872 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 9243060 ZBQOOGVMABWGQS-MZNJEOGPSA-N 426.907 5.500 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 9246830 PYYUUKYQCKCTOA-MRDQGFSESA-N 432.926 6.767 30 40 IKEB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSCc2cccc(C#N)c2)cc1 9882247 WCLXRLMXNYGZMR-RUZDIDTESA-N 441.556 5.178 30 40 IKEB C=CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1ccoc1C 13117224 PMEYFXMFIKEJMN-UHFFFAOYSA-N 436.581 5.491 30 40 IKEB O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1O 16450174 NCMDJNSBXNLAIE-WPWMEQJKSA-N 449.938 6.286 30 40 IKEB C#CCOc1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1OC 19324105 KUMXBCLWYXDQDC-UHFFFAOYSA-N 426.560 5.114 30 40 IKEB N#Cc1c(NC(=O)CCN2CCC[C@H]2c2nc3ccccc3s2)sc2c1CCCC2 23936708 BZDWQMCXJSGQTG-SFHVURJKSA-N 436.606 5.274 30 40 IKEB CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 33574250 IPHLBSCRTHYLSA-RIYZIHGNSA-N 443.503 5.095 30 40 IKEB Brc1cccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 59475119 NCHYDCPYSWPSDK-BUVRLJJBSA-N 434.362 6.686 30 40 IKEB COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 103760945 IUCQQKDEQJTAID-BHGWPJFGSA-N 431.404 5.199 30 40 IKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc21 223619352 KGHQUUXWCVIQHV-FQDNKPHESA-N 440.012 6.296 30 40 IKEB CCCCCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226811237 ZKMKLCPVASBFKI-RUZDIDTESA-N 437.580 6.509 30 40 IKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1-c1ccccc1)C2=O 253536408 PSHMDRHQJHJFAC-JGIPFEFHSA-N 442.603 5.758 30 40 IKEB CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C 263605348 PPUSJZGJZQKJEP-GLBUQBLHSA-N 434.576 5.354 30 40 IKEB N#Cc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)cc2)cc1 408634348 PWQREXPWLZJPDD-XKZIYDEJSA-N 428.469 5.496 30 40 IKEB COc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408660525 QGLWSANGIWIUJA-FOCLMDBBSA-N 428.915 6.977 30 40 IKEB COc1cccc2c(/C=C3/SC(=Nc4ccccc4)NC3=O)c(-c3ccccc3)[nH]c12 408830775 NPMVAWHPCZFQHM-RCCKNPSSSA-N 425.513 5.735 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)S1 408857973 OHNQMTBWUYFCQP-UYRXBGFRSA-N 438.350 5.440 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1OC 408911883 KWQGNLOZGGKESX-HUOZHCEOSA-N 438.593 6.052 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)S/C1=N/c1ccc(Cl)cc1 409076296 AJPAVXXVOGLEEK-WVAULHCUSA-N 441.767 6.366 30 40 IKEB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)S/C(=N\c2ccccc2)N1c1ccccc1 409081632 HGXLPQRSIUSTSJ-ZVERUENYSA-N 441.339 6.508 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 409103250 XOPOZOVUQLGCCQ-WOJGMQOQSA-N 433.888 5.289 30 40 IKEB CCOc1cc(C)c(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1C(C)C 409130700 UFMWXLGWERUOKO-NDENLUEZSA-N 442.968 5.571 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1cccc2ccccc12 409199960 GANSHNBODQBONQ-STBIYBPSSA-N 445.946 7.230 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl 409212738 QIKPAGYOPSGLIK-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)c(C)c2)S/C1=N/c1ccc(OC)cc1 409248672 HWRGEYBQAOXHCN-XZKXACHFSA-N 431.561 5.727 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cn(C)c4ccccc34)cc12 409290091 QROYIJYGXWZONP-UHFFFAOYSA-N 448.482 5.192 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(C)c2ccccc12 409320426 AVEJPJBVELQODC-CQSZACIVSA-N 437.341 5.046 30 40 IKEB O=C1/C(=C\c2cccc(F)c2)C[C@@]2(C/C1=C\c1cccc(F)c1)C(=O)Nc1ccccc12 585145854 CSFOVIUJLCWDPI-KSJQDTFZSA-N 427.450 5.685 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 2173330 KYZPDXKYUDWQMG-BOPFTXTBSA-N 430.913 6.115 30 40 IKEB O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H]2c3cccc4cccc(c34)[C@]12N1CCCC1 2184607 LIFGSDXTAOHPPE-IGYGKHONSA-N 427.547 6.422 30 40 IKEB Cc1cc(Cl)c(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1 2306794 TZWGFLJJIXSACP-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c(O)c([N+](=O)[O-])c1 3144743 GWRPENNWFPURPS-LSHDLFTRSA-N 438.783 5.421 30 40 IKEB N#CCCN(C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 3279098 LVVUPLVVVDKREJ-UHFFFAOYSA-N 448.906 5.023 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1cccs1 3639487 AISMWPYDQOWCRL-VOIUYBSRSA-N 437.561 5.072 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1 3843633 NVFBLCBUSIGTCH-YPMWIYOHSA-N 444.637 5.681 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SCCC(C)C)nc(=O)c32)o1 4150329 KNCPPOGHVALJQT-GOSISDBHSA-N 427.570 5.010 30 40 IKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4cc(C)ccc4C)NC3=O)cc2)cc1 8820758 RNDURKQKWQRCHO-IWIPYMOSSA-N 428.557 6.082 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 8820776 QCXVYKILXGGUED-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 9300559 SWEXRNUITMYTMM-HHHXNRCGSA-N 446.591 6.419 30 40 IKEB Clc1ccccc1/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1ccncc1 12604123 ATSPXKCHBLZAMD-YHMUTHJVSA-N 430.920 6.126 30 40 IKEB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2C)cc1 12637425 GVYNRAFBMAYTBR-WUKNDPDISA-N 446.554 5.303 30 40 IKEB Cc1cccc(-c2cc(/C=C/c3ccc4c(c3)OCCO4)c(C#N)c3nc4ccccc4n23)c1 13139019 DTAVOZYLINOMNV-PKNBQFBNSA-N 443.506 6.276 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 14163676 PMCSJVLUTVSTSD-MQNRADLISA-N 429.520 5.144 30 40 IKEB CC(C)c1ccc(-c2c(C#N)c(N)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c23)cc1 20057987 JRFXGFZAQYPTGD-UHFFFAOYSA-N 446.963 6.007 30 40 IKEB CC[C@]1(C)Cc2ccccc2-c2nc(N/N=C/c3ccccc3)n(Cc3ccccc3)c(=O)c21 26895800 VGMVHAIFVLXYMA-HBGDMYRRSA-N 448.570 5.628 30 40 IKEB CN1/C(=C\C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)C(C)(C)c2ccccc21 32636413 VHJXXONNHQXPAG-YVLHZVERSA-N 438.738 5.684 30 40 IKEB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccn(-c2ccc(F)cc2)n1 48353548 PHANIJZZJIPQKP-UHFFFAOYSA-N 447.310 5.224 30 40 IKEB Cc1cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@@H]3C2(C#N)C#N)c(C)c1 95480981 YYJOHIQCSCXTOM-ZRJLEYOISA-N 444.538 5.291 30 40 IKEB Oc1c(Br)cc(/C=N/c2ccc3c4c(cccc24)CC3)c(O)c1Br 96509943 OBDINIJNQDRXNW-LSFURLLWSA-N 447.126 5.625 30 40 IKEB C=CCn1/c(=N/C(=O)c2ccc(-c3ccccc3)cc2)sc2cc(Br)ccc21 100874297 QCAAHVDSQUHHEH-BZZOAKBMSA-N 449.373 6.059 30 40 IKEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Br)c1 101284695 XVOQWIZSIDMNCI-LJQANCHMSA-N 447.377 5.233 30 40 IKEB C=CCO/N=C(\CCC)C1/C(=N\OCC)CC(C[C@@H](C)SCC)C/C1=N\OCC 102909771 MSKXSYDVWIKAML-WTEUBJNMSA-N 425.639 5.688 30 40 IKEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2Cl)/C1=C(\O)c1ccccc1 102928765 CWFYZPLFQJOJOV-LFVOPCPISA-N 428.271 5.208 30 40 IKEB COc1cc(COc2c(Cl)cc(/C=N\O)cc2Cl)ccc1OCc1ccccc1 107975504 MCJHVVNDPHXVMW-ROTLSHHCSA-N 432.303 5.968 30 40 IKEB Cc1cccc(COc2ccc(/C=C3\SC(=Nc4ccc(C)c(Cl)c4)NC3=O)cc2)c1 408739222 UIXBCNMWIBAHFN-QRVIBDJDSA-N 448.975 6.427 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(/N=N/c4ccccc4)ccc3O)S2)cc1 408740891 IYDVYTOHSWVZLX-KXXSZAMISA-N 444.516 6.098 30 40 IKEB Cc1cc(N=C2NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)S2)cc(C)c1Br 408766807 SBCNVCSCVWEJSR-ZDLGFXPLSA-N 440.366 5.747 30 40 IKEB CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408856218 BLQZIHGQWUIYFT-PKIMKDRHSA-N 434.605 6.658 30 40 IKEB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408905861 FVQCOWNVEPZEGZ-LISDSOCTSA-N 449.919 6.052 30 40 IKEB O=C1/C(=C\c2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1 408906314 IHGMMNLMKBCKNA-OYJZPLNUSA-N 439.367 6.798 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408906688 JQHNDXLIUVAGTP-CURVLSCQSA-N 442.584 6.322 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408936314 FOUWXNZTJCULHE-KFNOWRKPSA-N 428.963 7.316 30 40 IKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408944507 MRYLZGQSKPXOIJ-KSEXSDGBSA-N 431.717 5.959 30 40 IKEB C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccc(OCc2cccc3ccccc23)cc1 409213269 TXPLIOZUZQEWFE-NJZRLIGZSA-N 429.519 7.962 30 40 IKEB CCCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OCC 409214207 WQBOYUMUZDZHBK-LPYMAVHISA-N 437.321 5.846 30 40 IKEB CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1O[C@H](C)CC 1531382979 UDXPAMQGZKEKEL-AZFHEMCLSA-N 441.531 5.522 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3F)C2)[C@H]1c1ccc(C)cc1 1481046 MAZMYUIRJFIAFD-PIIWDFAUSA-N 440.518 6.055 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C 2084226 MMQCPIFJAXNHKY-PNTLFUMMSA-N 428.557 6.434 30 40 IKEB Cc1sc(NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)c(C#N)c1C 2758256 GVGVWHWKEWFRRQ-UHFFFAOYSA-N 439.584 7.002 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC 3094440 NLLFPOVFGPSXNB-JOCHJYFZSA-N 441.568 5.041 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 3282255 BOTMURYODPOOEH-UHFFFAOYSA-N 431.565 5.031 30 40 IKEB Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1 8951403 QLQURPUFSUZIKX-ORWNMUSCSA-N 449.001 5.344 30 40 IKEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1 9195394 YLIOOMCDIBYEBS-VULFUBBASA-N 429.347 6.095 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)N(C(=O)C1CC1)c1ccccc1N2 9272082 ZHQYSJCZMJRFFK-NIYFSFCBSA-N 440.568 6.059 30 40 IKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 9419379 QTPQJWDEWHKIOE-TXTIWSOFSA-N 447.284 5.684 30 40 IKEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1Cl 9665720 YPUIHMBVIPWPLV-UHFFFAOYSA-N 445.935 5.190 30 40 IKEB COc1cc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)cc(OC)c1OC 11868675 JXLWRKRYUVMCJI-JJFYIABZSA-N 432.472 5.216 30 40 IKEB biogenic O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4cccc5ccccc45)nc3c1)OCO2 14922890 HTCBXYNRMCLJQN-LGJNPRDNSA-N 437.411 6.036 30 40 IKEB COc1ccc(C(=O)/C=C/Nc2ccccc2N/C=C/C(=O)c2ccc(OC)cc2)cc1 16216112 DJMPUYATBAVWMB-YTEMWHBBSA-N 428.488 5.321 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=S)Nc1ccccc1 16268172 HFAPXJGJRKJOFS-IBGZPJMESA-N 426.372 6.766 30 40 IKEB COc1ccc(C2=C(N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C2=O)cc1 20248180 OXCGPFCWASSOAN-UHFFFAOYSA-N 430.935 5.235 30 40 IKEB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S/C1=N\c1cccc(C(=O)O)c1 35656928 SGAPMZGCDITLEU-WBYAUDGUSA-N 444.512 5.198 30 40 IKEB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 38191949 ICFXJOAKQGDRCT-HPYBIPJLSA-N 428.701 7.204 30 40 IKEB in-man COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)o1 59459449 ZRCCYDDVIZMLMC-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 100856154 IYJHWIVRTSHFPC-XLNRJJMWSA-N 443.609 6.971 30 40 IKEB C/C(O)=N\C(=C\c1ccccc1)C(=O)O[C@@H](C)/C(O)=N/[C@H](C)c1ccc(Cl)cc1Cl 103732207 FOEGJHLXFMBZKZ-NRGQBJHJSA-N 449.334 5.960 30 40 IKEB CC(C)c1ccc(NC(=O)n2c(=N)c(C#N)c(C#N)c3c4cc(Cl)ccc4n(C)c32)cc1 199415311 IXUMDDNCXOJZCV-UHFFFAOYSA-N 442.910 5.213 30 40 IKEB C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 224564401 UBSDKQHJPLKHCX-UHFFFAOYSA-N 438.574 5.326 30 40 IKEB Cn1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c2ccccc21 408876397 OHRMMKAGMGQLNY-KHHYFDFNSA-N 433.552 6.254 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc1 408912159 MDXXDUFLIBVJMD-WEOUEGTISA-N 448.632 6.975 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(I)cc2)c1C 408959547 AUSMSHZVPCRAPC-OYKKKHCWSA-N 442.344 6.320 30 40 IKEB O=C1C(=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)C(=O)c2ccccc21 408992429 RVUYWKRBWQMDGP-UHFFFAOYSA-N 434.454 5.411 30 40 IKEB Cc1cccc(COc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2Br)c1 409069970 MMAIYNCKRNVSML-FSJBWODESA-N 441.285 5.086 30 40 IKEB CCOC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(CC)C3=O)o2)c1 409156699 GSHITPKGVPJNNG-SFFUPWIKSA-N 446.528 5.747 30 40 IKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409202815 SONARUCBXOCREM-YIUZENNJSA-N 426.542 5.091 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC 409338529 LMCCLFUTSNUBKA-LDADJPATSA-N 431.966 5.492 30 40 IKEB CC(C)(C)c1ccc(O)c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)ccc2O)c1 2171432769 HRDGACHRSXGBGL-BNUWPRSYSA-N 434.624 6.542 30 40 IKEB Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc23)cc1C 2422089 JVNIMISSLCTYON-WKULSOCRSA-N 448.530 5.226 30 40 IKEB N#Cc1c(/N=C/C(Br)=C\c2ccccc2)oc(-c2ccco2)c1-c1ccco1 3529700 SIASYCLQGUBGGE-CSPXPSOWSA-N 433.261 6.810 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(CC)cc4)nc3c2)c1O 8386648 GVJWOAQHORDAQX-AFUMVMLFSA-N 431.448 5.820 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1 8820804 RAONPCXPRLWUPC-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C1=O)cn2C 9422529 CDPUQQUCSWXIIK-BHGWPJFGSA-N 443.430 5.161 30 40 IKEB Cc1c(OC(=O)c2ccccc2Cl)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9422569 AADFMXWZGNGALF-YDZHTSKRSA-N 443.886 5.976 30 40 IKEB O=S(=O)(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1ccccc1 14257464 ZAYJASMOXMCMLC-HZHRSRAPSA-N 435.530 5.024 30 40 IKEB CCc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 16161397 FUSNXUJZFDXTQJ-HYARGMPZSA-N 445.544 5.246 30 40 IKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1ccc(OCc2ccccc2)cc1 16480344 GOQDZYWEGURWJT-VYVUJPJFSA-N 442.334 6.287 30 40 IKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2C)[C@H]1c1ccc(C(C)C)cc1 16741360 COEZEOKJFHLQMR-XMMPIXPASA-N 433.548 5.672 30 40 IKEB CCOC(=O)Nc1sc(N/N=C/c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 16751476 LEAQEZSQLUXUMZ-MFKUBSTISA-N 436.581 6.430 30 40 IKEB CC(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccn4)nn32)cc1 18198801 XWZTXNDNNNHSMY-QFIPXVFZSA-N 431.565 5.111 30 40 IKEB C=CCN(CC=C)C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)ccc21 27522742 XMSDBDKDQTVVLE-AREMUKBSSA-N 436.599 6.319 30 40 IKEB CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3cccs3)N3CCOCC3)o2)CC1 27794214 LCHRUEYCJUTOMK-GRERDSQWSA-N 442.629 5.557 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)CCCC4)cc2[N+](=O)[O-])cc1 32117148 IVPPZGKXWSVELQ-AFUMVMLFSA-N 433.558 6.617 30 40 IKEB Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccc(Br)cc3)c1)C2 59503640 GJVXFLJVYNNETG-DHZHZOJOSA-N 432.361 6.482 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1 97466958 RTLJLZDGBLFTKC-WRKLRJIISA-N 426.538 5.117 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 102588779 SIZHNAVGSGBRMV-JBCNATCCSA-N 448.862 5.183 30 40 IKEB CC(C)(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 102927416 BDMQWHROPODKCK-LFVOPCPISA-N 436.508 5.206 30 40 IKEB O=C(COc1ccc(Cl)cc1)/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1 103399570 BLTWDOOZLGRMNM-XAYXJRQQSA-N 444.840 5.731 30 40 IKEB Cc1ccc(O)c(/C(=N\CC/N=C(/c2ccccc2)c2cc(C)ccc2O)c2ccccc2)c1 104234043 AUKIXWNAUSDAAQ-SZDCHMHBSA-N 448.566 6.090 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc([N+](=O)[O-])cc1 104360101 IVESAFZAZDHUSD-QLYXXIJNSA-N 448.677 6.874 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)nc2ccccc21 408692605 QNZKDVWFXMUPLT-DHRITJCHSA-N 426.351 6.217 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(C)cc3C)o2)S1 408721351 PUVZVGMODSGQLC-NHDPSOOVSA-N 433.489 5.672 30 40 IKEB CC(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 408974855 HPACWVYZGOLZSZ-MHZLTWQESA-N 440.543 7.181 30 40 IKEB CCOc1ccc(/C=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 408975084 JVAWQXLZJVUZTL-WPWMEQJKSA-N 427.573 6.939 30 40 IKEB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O 409237154 JSEQDCVQUUCDIK-VCHYOVAHSA-N 447.343 5.890 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 409338963 RCKNRJAHLATJLH-MOSHPQCFSA-N 425.575 5.455 30 40 IKEB COc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC(C)(C)C 409403046 KMJSCOYOOYMJKL-UHFFFAOYSA-N 427.504 5.132 30 40 IKEB COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 708740 UOVHWDQSTBWHMY-RUZDIDTESA-N 443.543 6.175 30 40 IKEB CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1077211 RBQJCXIQDJZMJG-HRFSGMKKSA-N 426.585 6.696 30 40 IKEB CCOc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)cc1 1080214 LUHXGQBPZJLMON-RBTNQOKQSA-N 446.550 6.592 30 40 IKEB N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@]31N=2 2274966 OTRFRNNIWWWYJW-JCGRVDTESA-N 440.550 5.049 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)c1 3085820 BPUWDPVSUTWIJW-NJZRLIGZSA-N 433.551 7.182 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 8443861 CXNLWRAUFBFSFO-MHZLTWQESA-N 446.591 6.419 30 40 IKEB CCOC1=C/C(=C2/C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)cc2C)c2c(C)oc(C)c21 9043531 ZUNDXZAHVYGHAC-MRCUWXFGSA-N 443.543 6.323 30 40 IKEB C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(C)c2cc1Cl 9134513 NHCGUXIIHOFNOL-UHFFFAOYSA-N 436.895 5.372 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1 9215676 WPFQZLCDZWOGCW-AZGAKELHSA-N 430.935 6.456 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)Nc2cccc(C#N)c2)cc1OC 12644163 PMYSNIVWSIULKR-UHFFFAOYSA-N 439.475 5.072 30 40 IKEB CCCc1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)n2c(nc3ccccc32)c1C#N 12689799 LYGBNELFITYZJT-UHFFFAOYSA-N 448.979 6.004 30 40 IKEB CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C/C(=O)c2cc3ccccc3o2)cs1 12784935 WUSFJMLRSDORPT-BUHFOSPRSA-N 444.556 6.595 30 40 IKEB O=c1[nH]c(N/N=C/c2ccc(Br)cc2)nc2c1C1(CCCC1)Cc1ccccc1-2 13764663 UOWICHDFQYVCOI-AFUMVMLFSA-N 449.352 5.013 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)S/C1=N\c1cccc(Cl)c1C 17084959 JKQDMARGBGWDEQ-UOODYVSWSA-N 441.984 5.357 30 40 IKEB COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2cccs2)C4)cc1 28541897 UZIUYUBJNUDGQU-XKZIYDEJSA-N 433.529 5.076 30 40 IKEB O=C1/C(=C\c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CN(C2CCCCC2)CO1 41660875 UYJCFJNWGIPQSF-WPWMEQJKSA-N 437.539 6.454 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(OC)cc1 104348837 GIQHPIBOAJAWQN-HPNDGRJYSA-N 433.706 6.975 30 40 IKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 408856042 HWGHRAJIXBEFIV-UCQKPKSFSA-N 428.944 6.846 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)S/C1=N\c1ccccc1 408866625 HLDDIBDFEFZNDB-QBTVOTGASA-N 449.620 6.453 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(O)c3)c2C(=O)Nc2ccccc2)C1 409084115 WOLRBIVNKHDQCH-GEGDGZKASA-N 432.589 6.608 30 40 IKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1cccc(Cl)c1 409111220 AXPIMUJXWIGCBJ-UHFFFAOYSA-N 435.995 7.221 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3cccc(Cl)c3C)c2)cc1Cl 409216459 INEIRWTYUIXZAX-ZMFRSBBQSA-N 427.331 6.378 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3cc(Cl)ccc3OC)NC2=O)c2ccccc12 2076514 GZOSVDOXKZIIKG-MTJSOVHGSA-N 438.936 5.792 30 40 IKEB N#Cc1c(NCc2ccccc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1 3133820 ZGBZUOKPRJWYGI-UHFFFAOYSA-N 431.421 5.708 30 40 IKEB CC(=O)Nc1cc(/N=C/c2ccccc2)c(/C=C/c2ccccc2)cc1/C=C/c1ccccc1 4266064 AXBNDPQLANABDI-KSDFXGBWSA-N 442.562 7.736 30 40 IKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CCCC)c(O)c2)cc1 8397208 YXGDCQVNUOMIRC-UHFFFAOYSA-N 426.553 6.724 30 40 IKEB biogenic CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 8741896 FJNMRFSIFOTQDI-YMVPSHTBSA-N 443.528 5.054 30 40 IKEB COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1cccc2ccccc12 8811359 ZLLMXVRHQWCUTB-LQKURTRISA-N 430.935 6.205 30 40 IKEB Cc1ccc(C)c(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc23)c1 8818464 RSZGNIQCBYVQFY-WKULSOCRSA-N 448.530 5.226 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cccc(Br)c1 8821162 MTPQEMPMMMRWAB-JYRVWZFOSA-N 428.138 5.648 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1/S/C(=N\c2ccc(F)cc2)NC1=O 9261317 UKKFGOBBEURFNA-LPYMAVHISA-N 429.476 5.168 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 9546524 LDLXGEDURBQYLF-WNSKOXEYSA-N 431.948 6.167 30 40 IKEB COc1cc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc(OC)c1OC 12898500 ZTGBLCKWTGTTRV-SXJABBKVSA-N 444.483 5.421 30 40 IKEB biogenic CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 20191078 MJVQYZUGNJJEBL-DEOSSOPVSA-N 448.607 5.294 30 40 IKEB N#C[C@H](C(=O)CSc1ccccc1Br)c1nc(-c2ccccc2)cs1 26114199 PNVGYNKIMASBKX-CQSZACIVSA-N 429.364 5.541 30 40 IKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2cc1C 34791536 PCLRAVWWYSMBSZ-UHFFFAOYSA-N 432.574 5.266 30 40 IKEB CCCCCCCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103531328 HFJLIAOVXNTUMN-QURGRASLSA-N 426.598 10.172 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 253617459 NVFBLCBUSIGTCH-DNHZKMRASA-N 444.637 5.681 30 40 IKEB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]12C 263611964 XRLBQELEYBVDHJ-FFWCQLSZSA-N 444.612 5.265 30 40 IKEB CC(C)c1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 408723120 QNCOQQLDKDCCFR-WGOQTCKBSA-N 427.529 7.259 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3I)c2C)cc1 408753426 MRKXRCAVBYLAQK-UCQKPKSFSA-N 428.317 6.012 30 40 IKEB COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c(OC)c1 408784513 TXTWOQALGVIGAH-YUMHPJSZSA-N 434.561 5.325 30 40 IKEB Cc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C1=O)OCO2 408910166 WOYRQNBUHVLWFV-RPHBMQCLSA-N 442.540 6.089 30 40 IKEB C(=N\Nc1nc(-c2ccco2)c(-c2ccco2)s1)\c1ccc(OCc2ccccc2)cc1 408977153 UPSVIFNGPDTYFL-QQXSKIMKSA-N 441.512 6.688 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)S2)c(C)c1 408999299 UOPBXCUQBCRWRP-OEAKJJBVSA-N 429.589 6.219 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCc1ccc(F)cc1 409085378 OHXIDPUUSWEQLZ-HAHDFKILSA-N 443.474 5.486 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(CC)cc1 409117735 MLXVULCSGHHBTE-UHFFFAOYSA-N 425.164 5.951 30 40 IKEB CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl 409171679 DWXUNDPMHKSHRD-RQZCQDPDSA-N 433.316 5.500 30 40 IKEB COc1cccc(/C=N/c2cc(C(=O)O)ccc2Cl)c1OCc1ccc(C(=O)O)cc1 409187171 MZXVHNFAOJSRAF-BRJLIKDPSA-N 439.851 5.075 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl 409211185 NBQQJSAYNRYUHP-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1C(C)C 409218696 XMUCYLZIGKGFIS-RRJMXWIWSA-N 428.985 6.008 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC 409220759 FKAXZLBSCNYPQK-VAOMWCJQSA-N 428.529 5.636 30 40 IKEB CCOc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC 409233528 SSJSEHKHKVBJOA-BBWXTVSKSA-N 446.956 5.380 30 40 IKEB COc1ccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc1OC 409357447 JEWQVEKWBAOOFN-OCSSWDANSA-N 436.511 6.870 30 40 IKEB O=C(c1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242696 FNEXDGPGGZWSSC-UHFFFAOYSA-N 426.584 6.010 30 40 IKEB CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1434758 XTQWHRDCJCPYIW-RBTNQOKQSA-N 438.527 5.900 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c1C 2619306 YJOBZYXQTQNPNN-UHFFFAOYSA-N 443.576 5.217 30 40 IKEB C=CCn1c(C)cc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1C 2628462 IVDOZSODORMCML-UHFFFAOYSA-N 438.527 5.854 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2ccccc2c1 3021640 RJLHKQGDRKBFGG-QDJRPKQISA-N 429.570 6.000 30 40 IKEB N#Cc1c(SCc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CC/C2=C\c1ccco1 8767082 DLWZBEVNZKGYDE-GHRIWEEISA-N 444.943 7.239 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 8821056 AMJUPPRWENVBDC-DEDYPNTBSA-N 435.461 5.145 30 40 IKEB CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(OC)cc2)cc1 9309214 FXLVFPPWWAKSNL-UHFFFAOYSA-N 442.544 5.506 30 40 IKEB COc1ccc(/C=N/OCc2nnc(-c3ccc(F)cc3)o2)cc1OCc1ccccc1 9465047 XIUOQEMBJCEVNM-VULFUBBASA-N 433.439 5.014 30 40 IKEB COc1cccc(C(=O)Nc2ccc([S@](=O)c3cccc(C(F)(F)F)c3)c(C#N)c2)c1 12952881 KHXADZLRNWOGED-HKBQPEDESA-N 444.434 5.005 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\[C@H](C)c1ccccc1 13286475 MADKRYSQLQJOKH-QRJAPVEVSA-N 425.579 5.119 30 40 IKEB Clc1cccc(Cl)c1/C=N\N1CCN(/N=C/c2c(Cl)cccc2Cl)CC1 17422792 FWAVDYMDHKDANB-QEUMEHMPSA-N 430.166 5.286 30 40 IKEB CC(=O)c1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 59503598 RMWLTBDDJIPHQC-VULFUBBASA-N 433.916 6.727 30 40 IKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccc4c(c3)OCO4)sc3c2CCCC3)cc1C 98086344 RCUVLSYRXVVRLZ-LGJNPRDNSA-N 432.545 5.975 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1 102864340 ZUYXSMSVFBPRLK-JBCNATCCSA-N 444.487 5.370 30 40 IKEB O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccn3)c2-c2ccccc2)cc1 106783433 ZYQOIGABTVZCFH-TWKHWXDSSA-N 444.494 6.865 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)C2=O 118925730 FYAPPFWDCSJLLT-POVYJALDSA-N 445.430 6.880 30 40 IKEB CCN(CC)C1=C[C@H]2C(=Nc3ccc(NN=C4C=CC(=O)C=C4)cc3N2c2ccccc2)C=C1 136697798 VXEGFKCJGRMCJD-NDEPHWFRSA-N 449.558 5.538 30 40 IKEB C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 224941485 MLIYELDWKUEKEG-UHFFFAOYSA-N 439.133 5.276 30 40 IKEB Clc1ccc(-c2nc3sccn3c2C=NOCc2ccc(Cl)c(Cl)c2)cc1 256016421 ZQWBOKJVVYNKTL-UHFFFAOYSA-N 436.751 6.574 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Cl 408756382 QYHNUUZVQJBEAQ-PDGQHHTCSA-N 431.344 5.459 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC 408777533 BKUNHBMMZIOLHA-QFXXMJIKSA-N 444.984 5.466 30 40 IKEB COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC(C)=O 408849983 CFJBSYQIBCKZAK-YSMPRRRNSA-N 448.544 5.564 30 40 IKEB COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2c[nH]c3ccccc23)C2=C1CC(C)(C)CC2=O 408882698 RVQOGDPTZWBNGZ-UHFFFAOYSA-N 446.591 5.500 30 40 IKEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)n(Cc2ccccc2C#N)c2ccccc12 408902294 MUQSDIQCPGACLS-PCLIKHOPSA-N 430.511 5.676 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1C 408910178 GAPXGPRWCDIATB-UINIZAEWSA-N 428.557 6.062 30 40 IKEB CCCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)S/C1=N\c1ccc(C)cc1 408911023 IOPZOXHWNSIZNV-AJGXWLHTSA-N 444.600 6.951 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 408952184 KZGKXDOJGGZEJH-LPYMAVHISA-N 435.524 5.524 30 40 IKEB COc1cccc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1OC(C)C 409008967 ATNOGFRHEAOYAD-MFOYZWKCSA-N 437.348 5.681 30 40 IKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409048869 UIIMXIPYEOCUQY-GIJQJNRQSA-N 428.080 5.269 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OCC 409058584 SVSGYXQPAKBPCB-VBKFSLOCSA-N 440.359 5.249 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409211296 NIRUDFZYBADDDX-RPPGKUMJSA-N 444.314 6.338 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)ON=C3CCCCC3)n2)cc1 890749 JURRNFANNQOYKO-UHFFFAOYSA-N 439.459 5.126 30 40 IKEB CCCCCNC(=O)c1c(N)n(/N=C/c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2247872 MGAWLYYPIHYBDR-MUFRIFMGSA-N 442.567 5.092 30 40 IKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc45)c3)oc2c1 3068538 HAXKKGPHPMVUFD-MZJWZYIUSA-N 437.455 6.629 30 40 IKEB Oc1cc2ccccc2cc1-c1nc2cc(/N=C/c3ccc(Cl)cc3Cl)ccc2o1 3116168 TTWPWVYKTVYBES-UVHMKAGCSA-N 433.294 7.411 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)cc1 3639562 XGTVBDHKQSNKBC-BVZFJXPGSA-N 449.522 5.149 30 40 IKEB Cc1cccc(Nc2nc(N/N=C/c3ccccc3Cl)nc(N3CCC(C)CC3)n2)c1C 6443256 HTEIWRFYHAFGCU-CVKSISIWSA-N 449.990 5.568 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 8827584 ZYABHEFXDHFXBQ-HSZRJFAPSA-N 446.503 5.206 30 40 IKEB COc1ccc(OC)c(/C=C/C(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)c1 9138012 NPPBTXBNPQRUIG-JLHYYAGUSA-N 425.484 5.417 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 9246829 PYYUUKYQCKCTOA-WGDIFIGCSA-N 432.926 6.767 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1C 9993936 YNFGFEREQHVTNG-XMMPIXPASA-N 442.515 5.270 30 40 IKEB CCCc1cc(SCC(=O)Nc2ccc(OCC)cc2)n2c(nc3ccccc32)c1C#N 12689803 KQKNHMHUECPJKY-UHFFFAOYSA-N 444.560 5.441 30 40 IKEB COc1cc(C(=O)Oc2ccccc2/C=C2\Sc3ccccc3C2=O)cc(OC)c1OC 13306990 QFUAEIUSOXUDQZ-HMAPJEAMSA-N 448.496 5.261 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 13370792 MQYXUWHLBZFQQO-ISZJTHHZSA-N 426.729 8.025 30 40 IKEB C/C(CCc1oc2c(Br)cc(Br)cc2c1-c1ccc(C)o1)=N/O 13406716 KVQXCZPUDTWREV-UKWGHVSLSA-N 441.119 6.309 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18199727 VLYFPWGBPONZCI-KOSHJBKYSA-N 438.556 5.595 30 40 IKEB Cc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c(Br)c1 34791567 FNMOEHUKKQVESF-UHFFFAOYSA-N 440.366 5.525 30 40 IKEB CCCCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 102561860 LFHQWXVALAQDDI-UHFFFAOYSA-N 428.831 7.676 30 40 IKEB CC(C)(C)c1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102586965 QCSDCGJXIZDHRH-MOBKVPTQSA-N 449.934 5.852 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(F)cc4)[C@H]3c3ccco3)sc2c1 102876307 FULXJBHGTYQXPN-YDJIHCHBSA-N 448.475 5.217 30 40 IKEB Cc1cccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2Br)c1 408590108 GCIUXYCXGNLYIS-VULFUBBASA-N 435.321 5.759 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 408595060 VMNWDUJYNJMNGF-OPEKNORGSA-N 449.265 6.170 30 40 IKEB CCOc1ccc2ccccc2c1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 408718747 FBMWDPCUNGETIB-UZWMFBFFSA-N 442.518 7.788 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccc(C(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722086 DFFXKMAQDMYWCV-JVWAILMASA-N 441.556 7.568 30 40 IKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl 408776488 PCKGQSWWUFHZEL-WYMPLXKRSA-N 445.744 6.047 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Br)cc1 408808222 FFQLWXAOEDZYGT-UNOMPAQXSA-N 444.350 5.423 30 40 IKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)ccc1OC 408938308 PZYCHQHCNDJMLI-STWATBMFSA-N 438.571 6.979 30 40 IKEB CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408944958 VPHKNZNFVYJJBP-PUUWJRNQSA-N 444.578 7.816 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 409214732 TWWVMHGMMVIEEY-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1C 409216401 KWUTZPINCMFWQO-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccccc1 409216592 MQPNYKIAIHRRAR-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409218246 ZOWCMAXWRNLFCC-XRABMHPCSA-N 433.980 5.976 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1C 409363623 UZCNXPWTHNLOPV-UHFFFAOYSA-N 438.622 5.245 30 40 IKEB CC(C)(C)C1=CC(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C=C(C(C)(C)C)C1=O 685944631 QQGSICPKDBEZIX-UHFFFAOYSA-N 436.595 7.923 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](CC)O[C@@H]1c1cc(OC)ccc1OCC(=O)O 2037873691 BJHMBSWXGMMHNR-XTMHLJAPSA-N 444.955 6.028 30 40 IKEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 888425 DWCKHBZQQRHTPL-HNNXBMFYSA-N 438.622 5.385 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccsc2)cc1OC 1097760 ONWRRUVUXMKAKW-CRICUBBOSA-N 432.545 5.745 30 40 IKEB CCCCCCCOc1ccc(-c2nc(-c3ccc(Br)cc3)cc(=O)o2)cc1 1827129 DMAZIQZNGDPDMI-UHFFFAOYSA-N 442.353 6.481 30 40 IKEB CCCCCCCCOc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 2327575 HMAFOTBZOYCUMY-UHFFFAOYSA-N 441.571 6.813 30 40 IKEB CN1/C(=C2/S/C(=N\Cc3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 4109157 YCTLPJOYWKAKGX-QDJRPKQISA-N 445.569 5.439 30 40 IKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)c1-c1ccccc1 8857053 SHNWPOPNOQKKQB-UHFFFAOYSA-N 438.640 7.993 30 40 IKEB CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 9177717 KQQBUTFVBPHWHZ-JOCHJYFZSA-N 446.890 5.081 30 40 IKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/Nc2ccccc2I)o1 9262031 HNQGPRXQQLRAOF-SRZZPIQSSA-N 446.244 5.004 30 40 IKEB COc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1OC 9486718 QBGDXLJPTXQEDH-LGMDPLHJSA-N 430.416 5.177 30 40 IKEB Cc1cc(C)c([C@H]2C3=C(Nc4c2c(C)nn4-c2ccccn2)c2ccccc2C3=O)c(C)c1 13121864 RJYBIBFTTKYBOH-XMMPIXPASA-N 432.527 5.666 30 40 IKEB COc1cccc([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c1OC 13567794 KLYMENMPORLGTF-MRXNPFEDSA-N 439.939 5.521 30 40 IKEB C=CCn1c(SCC(=O)c2cccc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 14141883 JZBFCHKJWBTICL-QHCPKHFHSA-N 443.528 5.105 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 15011721 JHESMKBRSVCFND-XSFVSMFZSA-N 434.904 5.451 30 40 IKEB CC(C)(C)c1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc(C(C)(C)C)c1O 15018783 KTZKVPDRQPXAFF-UVHMKAGCSA-N 437.609 5.520 30 40 IKEB COc1ccc(N2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)S/C2=N\C(C)(C)C)cc1 15634628 SAZVCVPUFLNCES-CQKAXJAZSA-N 437.487 5.528 30 40 IKEB C=CCn1c(COc2cc(Cl)cc(Cl)c2)nnc1SCC(=O)Nc1ccccc1 32611892 HKQIAUVQYXYAKY-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB CCCCCCCCn1c(N)c(C(=O)OCCCCCCC)c2nc3ccccc3nc21 97953096 CYMYMIGBLOPCAA-UHFFFAOYSA-N 438.616 6.654 30 40 IKEB COc1cc(C)c(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C 100319193 QEKANXFTDOFSFP-AGGBOBLOSA-N 434.605 6.674 30 40 IKEB N#Cc1c(/N=C\c2ccc(Cl)c(Cl)c2)sc(-c2ccccc2)c1-c1ccccc1 100391485 ISOPHEIAMRARBG-MBTHVWNTSA-N 433.363 8.011 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 214338083 HSJFWEBCIPMIPC-WOJGMQOQSA-N 448.313 5.390 30 40 IKEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 408533935 RKLSJVZRGPIAHB-STZFKDTASA-N 436.533 5.050 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3ccccc3I)cc2)cc1 408550553 HWJJECPNMFNYRG-HYARGMPZSA-N 429.257 5.843 30 40 IKEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(I)cc1 408787933 AYWRKFFZNKSHJO-YDZHTSKRSA-N 425.273 5.321 30 40 IKEB O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)Sc2ccccc21 408816141 KOVLDWFULVKCSI-MYYYXRDXSA-N 428.940 7.402 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 408867862 MGJFLBJXHTXLKJ-XKZIYDEJSA-N 429.476 5.168 30 40 IKEB COc1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccc(C)cc4)N(C)C3=O)c2C)cc1 408906483 BWHVCSKOPXPJHJ-HUOZHCEOSA-N 431.561 5.645 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409216229 GKNGVGSDHOJCQZ-PCLIKHOPSA-N 443.952 5.819 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)cc1 409316182 LHEAMLZWTCHMSQ-OAHLLOKOSA-N 442.357 5.342 30 40 IKEB CCN(CC)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)cc1 409389501 BPMRTYONUWZJRP-JVWAILMASA-N 429.520 5.666 30 40 IKEB CCCOc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1 1705149 NZVNMLSAYUSUGA-UHFFFAOYSA-N 442.558 7.580 30 40 IKEB CCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ccccc13)O2 2025789 REKLLOKKSPBPBZ-LJAQVGFWSA-N 426.604 7.789 30 40 IKEB Cc1c(Cc2ccccc2)sc(/N=C/c2ccccc2OCc2ccccc2)c1C(N)=O 2133690 BWDBEDALCGQOSI-STBIYBPSSA-N 440.568 6.076 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2265601 VAORXMRSTSZONZ-UHFFFAOYSA-N 434.584 6.184 30 40 IKEB CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2772329 YEARYHYSBIPYSN-QFIPXVFZSA-N 436.621 5.506 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1C 3066536 UMWQPQQYVDAXMW-UXHLAJHPSA-N 432.523 7.441 30 40 IKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 3231571 CUSNABCRHTZGIS-UHFFFAOYSA-N 445.529 6.786 30 40 IKEB C[C@H](/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 4108362 IBIGNXGUBHLRGR-RYHPPPEMSA-N 449.645 6.423 30 40 IKEB C=CCN(C(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 6073501 RNNSAIYWPLHPNB-UHFFFAOYSA-N 439.518 6.922 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 8440065 ATQYDIYZLYDUPD-RUZDIDTESA-N 439.555 6.071 30 40 IKEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@@H]1C 9186722 KXDYHZVEOJTNPL-VALHTMQASA-N 441.656 6.539 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)sc1C 9280209 MGNDMWQWNBDPQE-GOSISDBHSA-N 442.899 5.335 30 40 IKEB O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccccc1F)n1c(nc3ccccc31)N2 9546530 ASXJGZULURUIJB-CPJLOUKISA-N 443.909 6.245 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)SC1=S 12629723 RNOCWFLRPCOQEB-BOPFTXTBSA-N 433.913 5.086 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@@H]12 12719938 SDYMIDMUFXWPCF-DZYAFLRNSA-N 438.514 6.415 30 40 IKEB Brc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1 14407593 BSBOXZDQMDRFCE-YDZHTSKRSA-N 438.350 6.084 30 40 IKEB Cc1c(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc2n1C 16249781 IDOLUSWFEQDZEN-YUMHPJSZSA-N 433.621 6.240 30 40 IKEB Oc1ccc(Br)cc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 16384323 KTDKYDJHHFZYSI-QFSHWATDSA-N 431.105 5.176 30 40 IKEB Cc1c(Cl)cccc1N/N=C\c1ccc(-c2ccc(Br)cc2C(=O)O)o1 19871594 KOBHLGOVELPZLX-YVNNLAQVSA-N 433.689 5.815 30 40 IKEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(Br)cc3)n2)c(Cl)c1 39383870 OPOUJFOMWDHVFB-JLPGSUDCSA-N 431.746 5.874 30 40 IKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1c(F)cccc1Cl 39988976 QMBOIQDSHDSPTQ-ACCUITESSA-N 436.313 7.552 30 40 IKEB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1/N=C/c1ccc(-c2ccccc2Cl)o1 51364650 OAQYHCADWPXUEV-BBKMRNEJSA-N 442.924 5.974 30 40 IKEB C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)\c1ccc(OCc2ccccc2)cc1 59500236 CRNXBPRKMOBENP-MWAVMZGNSA-N 429.523 6.869 30 40 IKEB CCc1ccc(OC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 68573677 ZJXSOWNINCNSQF-SNVBAGLBSA-N 434.201 5.190 30 40 IKEB biogenic O=C(/C=C/Nc1cccc([N+](=O)[O-])c1)c1cccc(OCc2c(F)cccc2Cl)c1 100482271 NORWHDKICJKJIV-ZHACJKMWSA-N 426.831 5.775 30 40 IKEB C[C@H]1CC[C@]23CC[C@@H]4[C@](C)(CC[C@H]5[C@@]6(C)CC/C(=N\O)[C@H](C)[C@H]6CC[C@@]45C)[C@@H]2[C@@H]1OC3 100930970 SMVBJUJFMSJJCO-XCQNQXFJSA-N 427.673 6.927 30 40 IKEB COc1ccccc1/N=C1\C(=O)N(CN2CCC(Cc3ccccc3)CC2)c2ccccc21 101002688 YLNFZQMYLJAABO-OHYPFYFLSA-N 439.559 5.075 30 40 IKEB CCCCCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 102079420 QAFPSDDVJMKWBA-UHFFFAOYSA-N 430.375 7.726 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1CC 408560911 RFBQELYNFHTNEU-UHFFFAOYSA-N 429.417 5.849 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)SC1=S 408809792 JDXONRJYOKWPFW-QNGOZBTKSA-N 425.623 5.328 30 40 IKEB Clc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408844069 GTUREIADSOIODU-FBHDLOMBSA-N 427.150 7.251 30 40 IKEB Cc1ccc(Cn2cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c3ccccc32)cc1 408960995 KVKMAELFTZNZGR-MFKUBSTISA-N 437.568 6.198 30 40 IKEB O=C1CCCC2=C1C(c1cc(Cl)ccc1O)C1=C(CCCC1=O)N2Cc1ccccc1 409034655 ICFLVIXLYFKFJX-UHFFFAOYSA-N 433.935 5.659 30 40 IKEB C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl 409042665 CAXJPJKBPYSXSU-UHFFFAOYSA-N 432.347 5.601 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1c(OCC(=O)Nc2ccccc2)ccc2ccccc12 409211003 LOYISRCZCYKFFY-LQKURTRISA-N 428.919 6.570 30 40 IKEB CC[C@H](C)Oc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409296145 SISAMLGVPJZWLH-SFHVURJKSA-N 437.499 5.869 30 40 IKEB CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1 524729417 SRRCNBDSXVCQOE-IVZMSFFOSA-N 426.468 5.573 30 40 IKEB biogenic C=C(C)[C@H]1C[C@H](c2ccc(CCC)cc2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875513 SDDLXQISYXCMCT-MKHKVULQSA-N 426.528 6.068 30 40 IKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCCN1CCCCCC1 2188593 MLKZJHWELOJGQK-UHFFFAOYSA-N 437.609 6.456 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 8809785 JAHNEERZSBIKFN-BBZXKIHQSA-N 433.382 7.879 30 40 IKEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21 9190080 KTIYBSIAOFEMTO-UHFFFAOYSA-N 440.528 6.148 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 9969606 DHZZBLSWDRXUME-HSZRJFAPSA-N 443.455 5.203 30 40 IKEB Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 13098867 YYZJFZVWTORWOV-UHFFFAOYSA-N 439.972 5.035 30 40 IKEB Cc1ccc(C)c(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 13306274 BUQZDLRNSVBBNH-SLJQUXCSSA-N 443.597 6.482 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1Cl 30738683 UFFOEMVHWHKKIE-YJOHERITSA-N 444.025 6.504 30 40 IKEB O=[N+]([O-])c1cc(/C=N\NC(=S)Nc2ccccc2)ccc1Sc1ccc(Cl)cc1 32124797 GXEJGLLYJRQONM-XKZIYDEJSA-N 442.953 5.720 30 40 IKEB COc1cc(OC)c(OC)cc1/C=N/Nc1nc(C)nc2sc(-c3ccccc3)cc12 33045716 BIIOIMNEXQSASL-ZMOGYAJESA-N 434.521 5.139 30 40 IKEB N#Cc1c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2c1CCCC2 59426503 SMSLEXSKNZZBMZ-ZMOGYAJESA-N 448.460 5.858 30 40 IKEB CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 98046262 KNFWDEOYRQGUQA-QFIPXVFZSA-N 425.956 6.279 30 40 IKEB O=C(/N=C1\c2ccccc2CN1c1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 103436816 FPEJWGJVRAMICA-HIXSDJFHSA-N 426.259 5.509 30 40 IKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(OCc2ccccc2)cc1 408593848 RPFDHMVQARXXNO-UXHLAJHPSA-N 435.527 6.096 30 40 IKEB Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)S2)c1 408721825 ZUHHQCZLFXTHPZ-UUYOSTAYSA-N 447.516 5.980 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1[N+](=O)[O-] 409077586 GBJJJMXIYBSDFG-HDFIIFABSA-N 447.560 6.998 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc(I)c3)c2C#N)C1 409078666 HUFZSVQTRMLXSC-XMTZNVEYSA-N 448.373 6.126 30 40 IKEB Cc1cccc(-n2c(C)cc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1C 409404469 LOYGRGMFCUFQET-UHFFFAOYSA-N 446.554 5.970 30 40 IKEB C=C(C)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 1241886 DXFNYLFUTDNYGX-UHFFFAOYSA-N 429.574 5.711 30 40 IKEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 2184923 ZFCGBTGMOXWFMB-HAHDFKILSA-N 446.528 5.174 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N/c1ccc2c(c1)oc1ccccc12 2771246 XGKWEWUSJCSWDJ-LSHDLFTRSA-N 445.110 6.567 30 40 IKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 3115291 VBEFIDLPHRSBIP-BRJLIKDPSA-N 425.271 6.339 30 40 IKEB C=CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 3433646 MDYPZPDZGSUGSY-UHFFFAOYSA-N 434.304 5.858 30 40 IKEB CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4060581 WVSUBUTVJZRGPG-HSZRJFAPSA-N 441.568 5.040 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 8432272 LQXLJAFNAHATON-UHFFFAOYSA-N 440.678 6.642 30 40 IKEB O=C(O)CSC1=N/C(=N/c2ccc(Cl)cc2)C2(CCCCC2)N1Cc1ccccc1 8444398 JZFLHZVFHARUKZ-NJNXFGOHSA-N 441.984 5.763 30 40 IKEB CCOCCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccccc1 8722457 AIQYXDWFYMPQRS-OBUXZSPNSA-N 432.545 5.489 30 40 IKEB Cc1c(OCc2ccc(F)cc2Cl)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 8992515 YWQRRXJPLFBIDQ-BHGWPJFGSA-N 447.893 6.474 30 40 IKEB CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccccc1 9264283 IXTIJJBSFVIQTD-AFMDSPMNSA-N 441.531 5.773 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1OC 13286330 SJRCFQVRCGPLPQ-BEIQUOEZSA-N 425.579 5.469 30 40 IKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(F)cc1 17099797 AWSHBRIEZMJGQF-QHCPKHFHSA-N 435.930 6.309 30 40 IKEB Cc1ccc(-c2c[n+](CC(=O)N3c4ccccc4Sc4ccccc43)c3n2CCC3)cc1 17246858 RPGOXHQIGQMAPM-UHFFFAOYSA-N 438.576 5.527 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3ccc(-c4ccc(C)c(C(=O)O)c4)o3)cc2)cc1 59105068 GDTRIKFJJQXKNM-JVWAILMASA-N 427.456 6.505 30 40 IKEB C(=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1)\c1ccccc1OCc1ccccc1 59461383 GQZQAMIOMRPPDC-CQMUHVERSA-N 428.513 6.456 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463753 RDQHDBDUWQXPCU-MFKUBSTISA-N 445.500 6.153 30 40 IKEB CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C 72399801 XXXNFLRIRGXPDQ-GVGNIZHQSA-N 440.668 7.604 30 40 IKEB in-vitro CCCCCCCCCCCCCCCCn1cc([C@@H](O)CN(C)C)c2ccccc21 95763104 RYGFJZXKJORPHO-NDEPHWFRSA-N 428.705 7.718 30 40 IKEB CCCCCCCCCCCCCCCCCCN/C(C)=C1\C(=O)NC(=O)N(C)C1=O 100669970 GZNBLMZWYPBOKI-QURGRASLSA-N 435.653 5.820 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 245242065 YGBQOUNQDOEMKJ-NDKAXUMMSA-N 445.430 6.880 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 408975383 AWWCKUWCJUBIHS-OGLMXYFKSA-N 426.585 7.770 30 40 IKEB O=C(NC1CCCCC1)c1c(/N=C/c2ccc(OC(F)F)cc2)sc2c1CCCC2 409162961 KAXJABRRZIDUSZ-VULFUBBASA-N 432.536 6.041 30 40 IKEB CCN(CC)c1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1 409281279 CVZOAHHDFPJAFT-UHFFFAOYSA-N 441.373 5.011 30 40 IKEB COc1c(Cl)cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1Cl 409298400 MZHUJBNBXQWGBB-UHFFFAOYSA-N 430.335 5.642 30 40 IKEB CCc1ccc(NC(=O)COc2ccc(/C=C3/Sc4ccccc4C3=O)cc2OC)cc1 409312157 JRMVVMULHJKXNE-BUVRLJJBSA-N 445.540 5.605 30 40 IKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 3090276 YVUVHFZCUJCMQP-UVHMKAGCSA-N 439.342 7.555 30 40 IKEB COc1ccc(Br)cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 8832430 MKLVJALZGDBHLH-LBPRGKRZSA-N 447.398 5.794 30 40 IKEB C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 9360091 VMOSPCSOWBEFCJ-KBCVXPAYSA-N 428.532 5.038 30 40 IKEB COc1ccc(/C=C(/C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)c(OC)c1 9483953 AYWGLLXWKRHNOW-UYRXBGFRSA-N 445.471 5.286 30 40 IKEB Cc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nc1Cc1ccccc1 12550615 FHIFBRDJJJMDPX-CQSZACIVSA-N 436.606 5.098 30 40 IKEB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3C#N)n2)cc1 14152908 QSDATISNXJZJIF-UHFFFAOYSA-N 428.439 5.073 30 40 IKEB c1ccc(/N=C2\c3ccccc3C(c3ccccc3)(c3ccccc3)N2c2ccccc2)cc1 16477916 ZNQUXGMLZVYFCW-QOSDPKFLSA-N 436.558 7.577 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OCC)c2)S/C1=N\c1ccccc1 17167140 YQYIDYWBMUZUQE-OQNHBUHUSA-N 438.593 6.134 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 36611973 FHIHDASURXFVSB-QQBMZTOHSA-N 444.585 7.913 30 40 IKEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1 59639167 UQPFFKAGTYHTCU-JVWAILMASA-N 449.426 5.917 30 40 IKEB Cc1cc(/N=C/[C@@H](C#N)c2ccc(/C(C#N)=N\c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O 100366066 ICDYXACODOPILD-NNERQTQLSA-N 448.530 6.421 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)Nc1snnc1C(=O)OCC 100479111 JJZJRHTZARXJEI-UHFFFAOYSA-N 439.666 6.915 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cccc2ccccc12 100879386 AIMXGCGQNSPXDQ-BPMVYWJCSA-N 449.963 5.640 30 40 IKEB COc1ccc(/N=c2\c(Cc3ccc(C)cc3)c(C)c(C#N)c3[nH]c4ccccc4n23)cc1 102884480 PYSWQNYZCMIPPT-KDJFERLWSA-N 432.527 5.741 30 40 IKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 225780282 QHCZMDPNMWRREU-UHFFFAOYSA-N 433.335 5.341 30 40 IKEB C=CCOC(=O)c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 226317748 QZZYJVZRCJKRBN-UHFFFAOYSA-N 439.636 5.096 30 40 IKEB CCc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc1 408916460 CPYGAGCHWGPMKU-LTUYXDACSA-N 428.557 6.062 30 40 IKEB Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccccc1 409040986 ZKXOTDMGKIZIFX-FXMZOFOKSA-N 431.355 5.712 30 40 IKEB COc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1O 409084947 YNMTVEOYESMOAX-DDFZXGMKSA-N 447.398 5.998 30 40 IKEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 409115509 RXNQRNBZFLEEPL-UHFFFAOYSA-N 436.964 5.800 30 40 IKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1C 409201987 PRAWKLWWSKXWAM-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1Cl 409203410 WZCHTAQKTQYEOF-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccc1OCc1ccccc1 409276666 UWCSAOGBWJKFQM-UHFFFAOYSA-N 437.543 5.905 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(F)cc2)o1 409294763 PDXJPHFOINBRFE-UHFFFAOYSA-N 440.272 5.003 30 40 IKEB COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1 2454281 VSKNKMUPEYXLHA-UHFFFAOYSA-N 432.936 5.760 30 40 IKEB COc1ccc([C@H]2NC(=S)N(c3ccccc3)C(c3ccc(Cl)cc3)=C2C(C)=O)cc1 2616082 CSDRUCPTCFAUKJ-HSZRJFAPSA-N 448.975 5.785 30 40 IKEB Cc1ccc(/N=C/c2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 3073128 VXFPMAXBOPZQSN-RWPZCVJISA-N 434.322 7.425 30 40 IKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCC(C)CC1 4028886 ZGHHYFNDDMTZKI-KCPWBINCSA-N 441.656 6.396 30 40 IKEB biogenic CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cc([N+](=O)[O-])ccc1Cl 8781194 IRAFJWCEGJOZKT-HSZRJFAPSA-N 432.907 6.602 30 40 IKEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 8820791 CUGHCBTWOKONRU-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB CC(C)(C)c1ccc(OCCOc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 8874756 OQNKORADTQLUFK-NLRVBDNBSA-N 433.508 5.796 30 40 IKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)o2)c1 8970562 FNRUVQPSEKXRTD-RPPGKUMJSA-N 441.472 5.973 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3/C=C/c2ccccc2)cc1 10035373 LFSSYFWGTHSGLA-HLZXUPQVSA-N 447.538 6.126 30 40 IKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 12032541 AJKYOJCZUDFUEE-LDADJPATSA-N 425.307 5.601 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](C)Oc1ccccc1 13850571 WDRJYEFPSRDVAD-MRXNPFEDSA-N 442.972 5.297 30 40 IKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 36611349 TUELZRCBPNVTDF-GZIVZEMBSA-N 447.294 5.689 30 40 IKEB CCCCCCCOc1ccc(C(=O)Oc2cccnc2)cc1OCCCCCCC 59663747 FINBJTNTNAFHIS-UHFFFAOYSA-N 427.585 6.999 30 40 IKEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 96346567 MVJQJXABALXQCO-MOPGFXCFSA-N 426.545 5.811 30 40 IKEB N#CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 226091714 NAFMJKUDYSMFOR-UHFFFAOYSA-N 429.907 5.251 30 40 IKEB CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CCN(C)C3)cc1Br 408604469 USJCITWMBVMIQJ-RMORIDSASA-N 432.387 5.156 30 40 IKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1Br 408708929 NIUQMAHUHBKHSA-UHFFFAOYSA-N 425.411 5.733 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1cccc2ccccc12 408810440 KMCPOLMVYAGGCV-HAHDFKILSA-N 445.540 5.822 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)c1 408814922 GUYKKEZDGAXVLN-MYYYXRDXSA-N 437.568 6.198 30 40 IKEB N#Cc1c(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)sc2c1CCCC2 408818731 YSSVZTNGIBWLOU-UVHMKAGCSA-N 441.383 7.135 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)c1C 408968277 VDVLHUDSYMOKGV-IXQMQDOZSA-N 443.616 6.507 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O 409064978 JUZSZUMFAZJZFN-XDHOZWIPSA-N 444.350 5.559 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 409070182 DTTTYOIXQRYNGU-DEDYPNTBSA-N 429.925 5.540 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409210815 LONKEQPYHBFPQB-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB CC[C@H](C)n1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c2ccccc21 409238909 MCUDAHQPKPQOFY-QPCPSIQXSA-N 433.577 6.245 30 40 IKEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1Br 409279814 INFBJXCTVFHIFI-UHFFFAOYSA-N 440.341 5.098 30 40 IKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCC1 4028950 FSLAVQGJZYEXIY-IGSOQLKZSA-N 427.629 6.150 30 40 IKEB biogenic CCCCN(CCCC)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 4116447 SDZIJGBMMXHWRM-YFDWJFFGSA-N 432.608 5.801 30 40 IKEB COC(=O)[C@H]1C2=C(C(=O)CC1(C)C)[C@@H](c1ccc(C)cc1)c1c(ccc3ccccc13)N2 4708004 UTTGRLMJBOCISR-WIOPSUGQSA-N 425.528 5.748 30 40 IKEB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 9224019 AEIRAFWOWIMNBA-LBPRGKRZSA-N 438.578 5.289 30 40 IKEB C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3nc4ccccc4s3)c(=O)oc2c1 13607374 CRQHQYIIKZBRJC-UHFFFAOYSA-N 434.517 5.237 30 40 IKEB COc1ccccc1NC(=S)N/N=C\c1cc(/N=N/c2ccccc2)cc(OC)c1O 17857714 PKAMBVZMTDOTKZ-JWLCOBFGSA-N 435.509 5.145 30 40 IKEB COc1ccc([C@H]2Nc3ncc(Br)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 18244361 RVGOTZRJQBHRCH-LJQANCHMSA-N 428.330 5.075 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 19630402 VSKLXCJSVVBUIF-NPMXOYFQSA-N 439.602 5.657 30 40 IKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl 33957396 KAZZDRRNZVOQBJ-VQXFMAJUSA-N 441.402 7.030 30 40 IKEB CCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(OC)c(Cl)c4)CC3)c2c1 44167768 WIZIXVXOYMJSHX-UHFFFAOYSA-N 448.954 5.186 30 40 IKEB O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1ccc(N2CCOCC2)cc1 48252875 HHYLNDUEXQCOKD-PKNBQFBNSA-N 438.321 5.442 30 40 IKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(N2CCOCC2)c1 48303090 IPRHKOLOWXIVPG-VQHVLOKHSA-N 428.315 5.986 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1CC 53239378 JZPDBACNEOGMFU-HXNPFYCNSA-N 428.557 6.326 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1Cl 59302080 JIGGVHUMXNHPMP-DHRITJCHSA-N 425.868 5.385 30 40 IKEB CCCCc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59679315 GLAXAPHKLWXNNE-ZVHZXABRSA-N 448.813 7.940 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)c2ccc(OC)cc2)s/c1=N\c1ccccc1 101360697 LMFCZCOORQASEX-RQZHXJHFSA-N 441.556 5.896 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccccc2SC)cc1)S(=O)(=O)c1ccccc1 224374977 ILKLFNQZCCRNEU-UHFFFAOYSA-N 438.574 5.042 30 40 IKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 224726833 IFNJSTHCCYMOKG-UHFFFAOYSA-N 444.350 5.623 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1c(C)cccc1C 408561261 ZWLVXACOTUUUIP-UHFFFAOYSA-N 442.588 5.556 30 40 IKEB O=C(/C=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1 408625374 XYKLWSKWCBFADV-ZRDIBKRKSA-N 427.725 6.578 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O 408737523 CQQGAEDHYWGTLH-HMAPJEAMSA-N 436.964 6.482 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1Cl 409050895 CLKUDFFRSDRQTH-UYRXBGFRSA-N 433.888 5.159 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)C)cc1 668288 SSFNBGIQQXYZPA-AREMUKBSSA-N 432.564 6.027 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(C)cc1C 3022312 ZMRAJJSBIMWOTQ-VHPLVOQASA-N 437.590 5.472 30 40 IKEB COc1ccc(Br)cc1/C=N/c1ccc(-c2nc3ccc(C)cc3s2)cc1 3087774 YGQQELAQLXVNGQ-ZMOGYAJESA-N 437.362 6.793 30 40 IKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3o2)cc1 3101088 BIODGGVIZVAHBJ-LGJNPRDNSA-N 449.894 6.810 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccc(C)c(C)c2)cc1 8385979 DWZGRVBYHGGWNE-UHFFFAOYSA-N 440.628 7.023 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C2=O)c2ccccc21 8992632 WEPLECKNKAQADG-BUVRLJJBSA-N 429.516 6.072 30 40 IKEB COc1cc(/C=C(/C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc(OC)c1O 9403501 RHECHUGVNDOIJO-BOPFTXTBSA-N 434.879 5.363 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccs1)n1c(nc3ccccc31)N2 9546498 BZZXKWMOGQKOBW-CMJOXMDJSA-N 431.948 6.167 30 40 IKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(Nc2nc3ccccc3s2)cc1 12604653 DMVLRCOHWFLPRP-VGOFMYFVSA-N 435.346 6.699 30 40 IKEB CC(=O)c1cc(C#N)c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nc1C 12793702 TZCSIHVRHXGKEJ-UHFFFAOYSA-N 439.556 5.057 30 40 IKEB C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 13138349 LAFGWQRWZGBUCE-UHFFFAOYSA-N 438.984 5.189 30 40 IKEB CSc1ccc(/C=N/Nc2ccc(C(=O)c3c(C)cc4ccccn34)cc2[N+](=O)[O-])cc1 15910687 AQLISBBRSONJCX-MFKUBSTISA-N 444.516 5.555 30 40 IKEB O=C1/C(=N/c2cccc(Cl)c2)C[C@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 15924502 JQHPQOGMXVPYEK-NBHLSZMOSA-N 429.734 6.898 30 40 IKEB Cc1nc(-c2ccccc2)nc(SCC(=O)N(c2ccccc2)c2ccccc2)c1C#N 27789344 PVAHAWWZZUJGDV-UHFFFAOYSA-N 436.540 5.781 30 40 IKEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccccc4Cl)nn32)c1 32816941 UWHJELTWDGRXQL-OAQYLSRUSA-N 434.927 5.265 30 40 IKEB O=C(/C=C/c1cccc(O)c1)C(C(=O)/C=C/c1cccc(O)c1)=C1SCCCCS1 101461074 WUAJFLDSHPHBDV-WGDLNXRISA-N 438.570 5.434 30 40 IKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC 102667366 XSBXVKJSHYYEQI-ZHHPLPSFSA-N 437.536 5.014 30 40 IKEB CCCCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103531013 DMAYPFGKOMYKNC-VHEBQXMUSA-N 434.524 9.637 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\c1ccccc1 108164100 IQUKUNZFOMZQIY-LPCFMYKTSA-N 430.485 5.435 30 40 IKEB Cc1cc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)nc1-c1ccccc1 215705960 CRDXIJBMJQVOCZ-UHFFFAOYSA-N 428.439 5.073 30 40 IKEB C#CCOc1c(Cl)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1OCC 408634170 PUXUAZFUSSYYLN-PDGQHHTCSA-N 429.881 5.110 30 40 IKEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408906499 CASVGAHVXJNVEL-RUEJZYPDSA-N 442.540 5.320 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(Br)o3)S2)cc1 408955424 XDYOSLQECIGSIA-GHXNOFRVSA-N 442.132 5.005 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1ccccc1C#N 408979243 LRJBRCYWIOKGJL-UHFFFAOYSA-N 446.510 5.637 30 40 IKEB CCOc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 1029493 INMBJBTYRUWKEK-GMQQYTKMSA-N 445.522 5.370 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@](C)(CC)OC3 2208308 FAJNVYNERQZVOQ-QHCPKHFHSA-N 426.607 5.416 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(Cl)cc1 2443655 XMSWYDAMNRPPRN-UHFFFAOYSA-N 426.973 5.386 30 40 IKEB N#Cc1c(N[C@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2 2678389 MDOCUJBIZRLWOL-KRWDZBQOSA-N 446.762 5.176 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 4109138 HWWXRDDOQICNPQ-ZMPCKTLKSA-N 431.542 5.571 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn23)ccc1Cl 8427592 HLSNRBQKSWSFBT-BHGWPJFGSA-N 445.693 6.620 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)no1 9471320 RIBUWDHKJOHVJO-GOSISDBHSA-N 429.259 5.073 30 40 IKEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 13879694 DAXGJPYOVFVTKL-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(F)cc4)ccc3C1=O)cn2C 28182467 PUTWBNPATFHEOE-GATIEOLUSA-N 429.447 5.521 30 40 IKEB C[C@@H]1CCCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)C1 33324471 BFDQSXGTUVUUFP-CQSZACIVSA-N 442.313 5.384 30 40 IKEB C=C1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 33814479 XWMMEBCFHUKHEX-MRTCRTFGSA-N 426.729 8.025 30 40 IKEB in-vitro C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccccc1 100062088 NCUQQABARUJCAN-CFEZCKOSSA-N 426.541 6.056 30 40 IKEB COc1cccc(/C=N/C[C@]2(O)CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O 118918855 PFLCXOYUUHWAGR-CZMXNXPISA-N 439.640 5.984 30 40 IKEB C=C(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1 224563973 XNJXODZWHQJYBW-UHFFFAOYSA-N 436.533 5.003 30 40 IKEB C=CCOc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1 225944079 PFOKDHWIKKKUKD-UHFFFAOYSA-N 447.578 6.613 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 408758340 JAXAJSOBCGFGOZ-WPWMEQJKSA-N 441.556 7.213 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cccc(C)c2)NC1=O 408808324 FSQBFYODONPJDL-PDGQHHTCSA-N 429.339 5.214 30 40 IKEB CCN(CC)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)o1 408811018 LQMUOXUBSLLBJP-KFLOGIKRSA-N 445.588 5.799 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 408858737 OYQHCLJXGGFOEW-PXONTVKZSA-N 432.633 7.167 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccccc2Br)S/C1=N\c1ccccc1 408932269 VFBXTBJVHXQWFT-JHRGVAJVSA-N 431.355 5.090 30 40 IKEB CCOc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1cccc(F)c1 408978286 HSJABFGMNWIOSI-UHFFFAOYSA-N 439.490 5.986 30 40 IKEB Cc1cc(/C=N\Nc2nc3ccccc3s2)c(C)n1-c1ccccc1Br 408996041 GSPLWWLUBOVWIZ-UUYOSTAYSA-N 425.355 5.912 30 40 IKEB O=[N+]([O-])c1cccc(COc2ccc3ccccc3c2/C=N/Nc2ncccc2[N+](=O)[O-])c1 409072230 JKAWUKKJVVLCQU-AFUMVMLFSA-N 443.419 5.076 30 40 IKEB CCOc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)OCO2 409093830 APHVAQHDFALQGU-WRIATZMJSA-N 444.512 5.623 30 40 IKEB CCCOc1c(I)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409210885 LXEGOJNVXYXLCO-SRZZPIQSSA-N 443.712 5.801 30 40 IKEB Cc1ccc(-n2cccc2C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1 409298908 QEPMWAXECBUSCU-UHFFFAOYSA-N 449.352 5.264 30 40 IKEB Clc1ccc2[nH]c3c(c2c1)CCC/C3=N\N=C1/CCCc2c1[nH]c1ccc(Cl)cc21 977892 ORICKPRFFDPIKK-VFIVCBTMSA-N 435.358 6.822 30 40 IKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 3169599 DIKPLWOAHJUXNA-HRLJDNPUSA-N 448.276 6.581 30 40 IKEB N#Cc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3232556 QXNQWKRNKNOBCD-UHFFFAOYSA-N 436.920 5.299 30 40 IKEB CCCCc1cc(CCCC)nc(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 4671200 WRRUFYVWLPFFTB-MTDXEUNCSA-N 438.660 6.908 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccco2)cc1 6498941 VKWBHSAKGOIDEP-DWXRJYCRSA-N 428.488 5.209 30 40 IKEB Cc1onc(-c2ccccc2Cl)c1C(=O)/N=C1/N=C2C=CC=CN2Cc2ccccc21 8664343 YVKOBTJJEHOHQZ-SLEBQGDGSA-N 428.879 5.188 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2Cl)nc1SCc1ccc(F)c(F)c1 8809666 ZQWKRFLQEMOOQI-UHFFFAOYSA-N 448.925 7.511 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)o1 8836260 MBAWOVYVMBPVCE-IBGZPJMESA-N 434.448 5.120 30 40 IKEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 9046470 YJYCBCPJCLKPSR-NXLSWJSLSA-N 448.607 5.138 30 40 IKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 9271670 UYZHUUDARHVZRK-HXUWFJFHSA-N 442.353 5.608 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc3c2CCC/C3=N/OCc2ccc(Cl)cc2)cc1 12955226 BYCZPNTYQSIVPT-BXVZCJGGSA-N 440.974 7.363 30 40 IKEB C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1cccc(C(F)(F)F)c1 16035652 KUBXWHDGDSXPMS-NRMGMMDXSA-N 437.490 6.315 30 40 IKEB Cc1cccc(NC(=S)N/N=C/c2cc(C)n(-c3ccc(Cl)c(F)c3)c2C)c1C 16362118 UWIMOCFSWWFDOS-BRJLIKDPSA-N 428.964 5.824 30 40 IKEB O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C/c1cc(F)ccc1O)c1ccccc1 18207012 BRTBFLOXOZZEKE-FOKLQQMPSA-N 439.295 5.390 30 40 IKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)CC(C)C 20650398 CYVBAAFCNYRZIR-YVNNLAQVSA-N 448.390 6.429 30 40 IKEB COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c1 101857664 DDSPIASNYTWIRP-JTOGBTRBSA-N 446.616 6.911 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)cc1 118932322 KNJVWAVLNHNHKV-WSRHPNDCSA-N 430.654 6.502 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N/c3ccccc3)N(C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223602676 WTFKCCHNRILFFT-YOFYSTIGSA-N 447.648 6.729 30 40 IKEB CCc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)cc1 408575324 JSZJLQVFNHXCTP-UHFFFAOYSA-N 445.902 5.383 30 40 IKEB CCCCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 408718200 AIPCUVLBMXMICF-ZXVVBBHZSA-N 427.573 7.102 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 408765837 YHUNWFCDXJYZLP-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)S2)cc1 408777943 MSCBZMCMHUSUKE-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)S/C1=N\c1ccccc1 408906912 FCWFARGINKWULU-FUQOYWQNSA-N 444.600 6.889 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(C)cc1 408912555 NURJMMYDLKRBIS-BTGSRNBQSA-N 434.536 6.797 30 40 IKEB Brc1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 408933564 BIWFLKXGJSPDEL-WPWMEQJKSA-N 441.328 7.404 30 40 IKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccccc1F 409064012 BAZGTPMTMFFTHB-JVWAILMASA-N 434.467 6.191 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1Br 409119524 SSFYZVOXWXQNGE-UHFFFAOYSA-N 445.582 6.350 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 409233770 XAKVHOGWRMWSPX-HYARGMPZSA-N 433.916 5.742 30 40 IKEB Cc1cc(C)c(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c(C)c1 409302964 HNBBCASLSHASFJ-UHFFFAOYSA-N 426.358 5.264 30 40 IKEB O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1ccccc1 409306597 POOYJOCXXSAWTR-UHFFFAOYSA-N 444.288 5.454 30 40 IKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc2ccccc2c1 409311506 GRFXHRRXOSQCLR-PKAZHMFMSA-N 438.548 7.147 30 40 IKEB N#Cc1c(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)sc2c1CCCC2 815306 ANLLCJAVLKNCLU-UHFFFAOYSA-N 449.486 5.398 30 40 IKEB CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl 1571713 ZESURNSFEWJIMR-UHFFFAOYSA-N 439.210 7.998 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2cccc3ccccc23)C1=O 2340644 SPTWKSVDAFDCRZ-JYAWBRCSSA-N 446.532 5.382 30 40 IKEB C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 2464543 VMOSPCSOWBEFCJ-YCULYRLHSA-N 428.532 5.038 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1cccc2ccccc12 3166764 RKHKMGBHAZFGNB-WGOQTCKBSA-N 430.301 6.572 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 8744026 LOTPWLREWPFQNY-OAQYLSRUSA-N 436.895 5.543 30 40 IKEB Clc1ccccc1CN/N=C/c1ccccc1OCc1ccc(Br)cc1 8811290 MYBKCKJLVPGFFD-AFUMVMLFSA-N 429.745 5.805 30 40 IKEB COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 8888202 HYENONJVQALLET-UXHOKJDVSA-N 426.343 6.727 30 40 IKEB COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2cccc([N+](=O)[O-])c2)cc1 13775323 IDNDDQLQONLBCQ-MFKUBSTISA-N 443.415 5.228 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@@H]2c1cccs1 15826257 WMYGIGQHVGXWGL-HSZRJFAPSA-N 447.560 5.867 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 15931473 IUHIZDWNXGMFNF-AFUMVMLFSA-N 437.952 6.373 30 40 IKEB CCOc1cc(/C=N\Nc2nc(C)cc(COC)c2C#N)ccc1OCc1cccc(C)c1 32115661 HRBYLZHDTLUTTJ-MBTHVWNTSA-N 444.535 5.140 30 40 IKEB CCCCCOc1ccc(CN2C(=O)/C(=N\Nc3ccc(Cl)cc3)c3ccccc32)cc1 46085089 JZQNBFTZASPMDN-GNVQSUKOSA-N 447.966 6.272 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)CC(=O)C[C@@H]43)C2)cc1 118914904 IFADLLNZMJESQF-RLOFXDQLSA-N 444.637 5.681 30 40 IKEB CCN1c2ccc(/C=C3\S/C(=N\c4ccc(Cl)cc4)NC3=O)cc2[C@@H](C)CC1(C)C 223533612 GVISHEKGRIFZJE-MNAFEPAFSA-N 440.012 6.344 30 40 IKEB CC/N=C1/C=C2Cc3cc(N(C)C)c(C)cc3C(c3ccccc3C(=O)OCC)=C2C=C1C 367758885 ZYCIOMJOZJFQMH-BXVZCJGGSA-N 440.587 5.943 30 40 IKEB Cc1cccc(COc2c(Cl)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2Cl)c1 408593829 ROLWVXZVHMEOKM-BRJLIKDPSA-N 445.302 6.340 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3CC)c2C)cc1 408692542 OWNKFWCVIVXYQM-WGOQTCKBSA-N 429.524 5.086 30 40 IKEB Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 408967640 WHLQIBKSGOCJLT-OEAKJJBVSA-N 433.552 6.248 30 40 IKEB Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c(C)n1C 409078466 IGUBBEWZRCOJMB-SGTHAQTGSA-N 447.648 6.857 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCc1ccc(C)cc1 409081394 OACXSNCPDWPTST-JLPGSUDCSA-N 439.511 5.656 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 409108458 WAGNOISOYNCGQL-OPVMPGTRSA-N 444.196 6.626 30 40 IKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409112082 BTGMFHAFIVRTPJ-UHFFFAOYSA-N 432.520 6.140 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c(C)c1 409203121 WEMBBJYGTYYGGT-DHRITJCHSA-N 428.757 7.049 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(F)cc1 2240942 WPQCMZYUWUGHDU-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1C#N 2746105 UGMRGPNYNZMBEU-UHFFFAOYSA-N 431.948 6.612 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc2[nH]c(C)c(C)c2c1 2911383 SQTQMBMPKQOGIN-UHFFFAOYSA-N 445.592 5.577 30 40 IKEB N#Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1 5800906 FVNUFSFLIJWVGT-RWEWTDSWSA-N 441.288 5.843 30 40 IKEB COc1ccc2ccccc2c1[C@H]1N=C(SCc2ccc(F)cc2)NC(C)=C1C(C)=O 8424861 NOBPYJFWIRGTQQ-DEOSSOPVSA-N 434.536 5.784 30 40 IKEB Cc1cc(Cl)ccc1/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C 8815837 MJMNLWXFIAYZNY-OCLJWFPGSA-N 436.364 5.200 30 40 IKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4Cl)NC3=O)cc2)cc1 8820760 OMSSKSGMBAUMDS-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 9199510 QFOAKMHXJAKBRU-MRXNPFEDSA-N 436.606 5.253 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC)cc2)cc1 9215965 TXIIIWIVKKBGTQ-AHKZPQOWSA-N 426.516 5.892 30 40 IKEB COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2OC)cc1 12652228 OVALUAZQWTVGQS-MUUNZHRXSA-N 440.543 5.884 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(CC)C1=O 35656497 FLWRDAQSQVMSCT-JUMVDPBBSA-N 446.528 5.561 30 40 IKEB CCCCCCCCCCCCCCCC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O 100306482 YWUFQAQWMURITA-HSZRJFAPSA-N 445.471 8.697 30 40 IKEB CCCCCCCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 100574617 HDJCSPZRALATEA-UHFFFAOYSA-N 444.575 6.849 30 40 IKEB CCCCCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102621432 MEOYOBMIGCKVMI-ZHHPLPSFSA-N 446.503 5.178 30 40 IKEB CC(=O)O[C@@]12C[C@@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@@H]5[C@@H](C)CCCC(C)C)[C@@]3(C)C[C@H]1O2 118936346 WJIXKJVODIQPNM-FQENIUKSSA-N 444.700 7.376 30 40 IKEB C/N=C1/S/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N1C 408844575 DSASCEDQKRAELT-LCOAIJAZSA-N 449.579 6.343 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccccc1 408859937 VVEMSJFVKIMMJX-GPXYMGDNSA-N 426.585 7.023 30 40 IKEB COc1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)N(C(C)C)C3=O)c2C)cc1 408906215 BATCSRBPZVVZQQ-YCJCGMCGSA-N 445.588 6.115 30 40 IKEB C#CCOc1c(Br)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409110778 GSLNUTVAHYDVPN-UHFFFAOYSA-N 438.321 5.874 30 40 IKEB CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)C(=O)N2C)cc1 409167687 JIKSVVCCKBOABL-ASAQIREPSA-N 447.516 5.959 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2sccc2C)cc1C(C)C 409290870 NPESVQNQHSKKHC-UHFFFAOYSA-N 445.588 6.146 30 40 IKEB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 2095584 ZYOACJCWPUYMAG-UHFFFAOYSA-N 425.941 6.148 30 40 IKEB CCOc1ccc(/N=C2\S/C(=C3/Sc4ccccc4N3CC)C(=O)N2CC)cc1 3019351 FQEIQOPNRGGASH-WFAAQJSFSA-N 425.579 5.469 30 40 IKEB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 8590673 PEFAJZVEDHAXQW-UHFFFAOYSA-N 427.483 5.335 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 13841961 RSFAIYJXRCBQSU-UHFFFAOYSA-N 440.783 6.296 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 14133422 RJDODNMUDUAMIA-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB COc1cccc(/C=N/c2cccc(NC(=O)c3ccccc3Br)c2)c1O 16228161 GYLHPQPEGLITIQ-YDZHTSKRSA-N 425.282 5.166 30 40 IKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1C 17094587 CUMQCLRYQHMBMI-MRXNPFEDSA-N 425.623 5.514 30 40 IKEB C/C(=N\c1cc(C)ccc1O)c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O 18324757 TYIIXVJIBOOJAN-WGOQTCKBSA-N 440.528 6.009 30 40 IKEB Brc1ccc2nc(N/N=C\c3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1 96241092 REQADNDMPFXOST-WGARJPEWSA-N 442.320 5.987 30 40 IKEB CCCCCCCNCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 102568254 ILQCQCKTVIFSLA-UHFFFAOYSA-N 434.418 6.487 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)sc1C 102882002 ZJTZTVJBQOBHSS-GHNGSUTGSA-N 442.899 5.179 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(C)cc2)S/C1=N\c1ccc(Br)c(Cl)c1 409014158 FQPOHWCYNPJQTK-HQYQRZIKSA-N 435.774 6.035 30 40 IKEB COc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 409048632 TXTBUYCPYANMEP-UHFFFAOYSA-N 448.390 5.975 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c1 409081035 JHRLEJFBHWOGBB-AGSDWXNQSA-N 430.957 5.617 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 409208381 FPZUKEYCUFZGQN-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Cl)c2)S/C1=N/c1ccc(F)cc1 409233259 UKRPJHAXQPTIKA-RUWCJYDTSA-N 425.312 5.765 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12 2273401 NWSONGAQAWTJGO-PMERELPUSA-N 431.535 7.092 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 6015308 VYESIIKCKJBLMG-QHCPKHFHSA-N 434.511 5.077 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 8195646 FNPHNLNTJNMAEE-QHCPKHFHSA-O 428.678 6.341 30 40 IKEB endogenous,in-man COc1ccc(/C=C/C(=O)OCCOc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 13406654 OFMZLJFYBQURED-JYFOCSDGSA-N 428.484 5.227 30 40 IKEB CCOC(=O)c1ccccc1OCc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OC 13535087 DTILEQJALOMGFN-PGMHBOJBSA-N 442.511 5.663 30 40 IKEB CC1CCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)CC1 33324473 OWMIPINQEDPROX-UHFFFAOYSA-N 442.313 5.384 30 40 IKEB O=C(/C=C\O/C=C/C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 33374017 RJBDQJSLZXNNDS-DSOJMZEYSA-N 436.099 5.321 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2)ccc1OC(=O)c1sc2ccccc2c1Cl 100224443 NDFGKKYVOGGWMZ-JFLMPSFJSA-N 449.959 7.232 30 40 IKEB CCCCCCCC[C@H]1S[C@H]1CCCCCCCC(=O)OCCOCCOCC 100300081 MMBZAEHFMQEQSE-PKTZIBPZSA-N 430.695 6.548 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CCC)C(=O)O)C2=O)cc1 101247701 UUJHKKOKSMAUKB-ZWVASEPXSA-N 449.638 5.880 30 40 IKEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101979980 VVBWSYMUQVRZET-JSVKKVFXSA-N 431.045 6.341 30 40 IKEB O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102619223 JZXZXNHFOCTHJU-NHFXJNLRSA-N 441.380 5.471 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc(Br)cc2)sc2c1CCCC2 103583441 PGQWBKKVGGWYCG-OYKKKHCWSA-N 439.378 6.392 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CCCC[C@H]1C1CCCCC1 104254092 JIKPIFVOTIEWIG-VMPREFPWSA-N 448.776 9.930 30 40 IKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 245229351 VGYMEBWQLDCBIR-KNRMHFBISA-N 438.518 6.325 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 253597604 NVFBLCBUSIGTCH-TXJBBWRZSA-N 444.637 5.681 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 253617043 CMCWTYNIVZMUIH-SSSHKRAFSA-N 430.554 7.701 30 40 IKEB COc1ccc(Br)c(C=Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O 254619781 BJONPJXGOYZKPA-UHFFFAOYSA-N 437.293 6.031 30 40 IKEB C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccc(OC)cc12 257173664 UOXLNYIYPISSFF-HTASAFEOSA-N 428.532 5.038 30 40 IKEB Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(Cl)cc1 408593853 RPIRLDXKHFLBQH-VULFUBBASA-N 433.895 6.110 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1Cl 408739015 RIGLJHDSAOGIGO-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)cc1 408765670 ZIRUEXOAOOWRMG-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)SC1=S 408813268 OZMOLOQZCPECKE-WQRHYEAKSA-N 447.423 5.552 30 40 IKEB CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cccc1OC 408915363 XTMNNSVOXYVGRQ-GBDKMTHCSA-N 438.593 6.195 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2 408925387 JWXCDXKYVUTHIU-GATIEOLUSA-N 433.360 6.207 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC 408933462 ADFRWNKVJFMONB-AXAWFECKSA-N 448.566 6.674 30 40 IKEB CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccc2ccccc2c1 409024390 XQIUKUIRRMRSGA-ZYITZIQLSA-N 425.513 5.570 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)cc2)cc1 409097391 NDAKZOXTQSYEEL-WSDLNYQXSA-N 427.254 5.914 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccccc1Cl 409111698 DNHGANSQAFTHRX-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB CC(C)/N=C1\S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)N1C(C)C 409203358 WQRWKSQCUWWIPE-CZCNCZSWSA-N 442.588 5.650 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409212049 LPCPAOZWWBSQKB-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB CC[C@@H](C)Oc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409403503 IFYTUZGMMWGJOT-QGZVFWFLSA-N 442.475 5.031 30 40 IKEB CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)ccc1O 1461734 XSCTZCPAUAKLDQ-UHFFFAOYSA-N 437.580 5.496 30 40 IKEB CCCc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c2ccccc12 2354879 DZBNXKGNQKJXTO-GDLZYMKVSA-N 433.576 7.659 30 40 IKEB O=C1C(=Cc2cc([N+](=O)[O-])c(N3CCCCC3)cc2N2CCCCC2)C(=O)c2ccccc21 8435141 PLBSVQLQQZNUDL-UHFFFAOYSA-N 445.519 5.038 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1Cl 9370728 WLSWQWVNLFYOOH-OAQYLSRUSA-N 438.310 6.085 30 40 IKEB N#Cc1c(N)nc2c(c1N)[C@H](c1ccc(Br)cc1)c1ccc3ccccc3c1O2 15022731 SVIAZIZVOOLBPP-GOSISDBHSA-N 443.304 5.319 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 16610630 ULOYTUVYXLVYLM-WOLHVBPDSA-N 449.894 7.026 30 40 IKEB CCc1ccccc1NC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 21722680 ZSVXZNDQMRWIIZ-MHZLTWQESA-N 441.531 5.461 30 40 IKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 59224179 YLECDYJSNSTXAE-XKZIYDEJSA-N 434.948 6.119 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl 408702427 CHRFNLRQVUQPGN-FQEVSTJZSA-N 448.346 5.387 30 40 IKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1[N+](=O)[O-] 408910053 VVMRSGLAJUQZKZ-JLOZXLPYSA-N 443.528 6.268 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)S2)cc1 408955081 VXOMSDNISCVLSW-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2Cc1ccccc1 409036814 RQLAQVLCLNCZTF-UHFFFAOYSA-N 428.488 5.208 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1F 409076012 WMIHPPNDBHHARS-KVSWJAHQSA-N 433.405 5.663 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3OCc3ccccc3F)c2C#N)C1 409082397 JCKYTGSDDNGRSM-MKCCAMSKSA-N 446.591 7.239 30 40 IKEB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O 409211161 IDZHVOHQDSIPPB-HMAPJEAMSA-N 436.533 5.372 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(SC)cc1 1531342937 RGZVZKKEDTZTMT-UMYHVIPVSA-N 430.371 5.277 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 681884 FZOQITOWFUELIN-ZTOMLWHTSA-N 438.571 6.798 30 40 IKEB COc1ccc(/N=C2\SC(=NNc3ccccc3)S\C2=N/c2ccc(OC)cc2)cc1 2122775 SZIBCHBDYJGDJV-NUJSLWOLSA-N 448.573 6.327 30 40 IKEB O=C(C[C@H]1S/C(=N/c2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1 3247362 VUACMHXARXTOTL-FOFUNRBPSA-N 439.924 5.094 30 40 IKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1 3627461 KXNMAIAKSBGCKU-QKKBWIMNSA-N 435.014 5.765 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(OCc2cccc(F)c2)c1 8783620 MMXFXASJLSIIIG-HHHXNRCGSA-N 442.534 6.627 30 40 IKEB biogenic,in-vitro CCCC/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CCCC 8821668 BCGQXDKQJOBXQM-OCIPIQTLSA-N 427.526 5.727 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 9242711 ZBQOOGVMABWGQS-BXKMTCNYSA-N 426.907 5.500 30 40 IKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 9271589 YBYAGDZELJVOKD-NRFANRHFSA-N 426.497 5.388 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(Cl)c3Cl)cc2)cc1 12537691 XGPQJRSUMVBXTJ-NTEUORMPSA-N 446.355 5.999 30 40 IKEB Clc1ccc(CO/N=C2/CCCc3c2cc(-c2ccccc2)n3-c2ccccc2)cc1 12960554 ZBIUZBBZNFPLQB-GNVQSUKOSA-N 426.947 7.055 30 40 IKEB COc1cccc([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CCC3)c1OC 13567950 JYBPCIYOJXVHKV-OAHLLOKOSA-N 446.330 5.538 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(O)cc1C 16282086 DJRBWZBKMFPHCG-KEBDBYFISA-N 425.120 5.541 30 40 IKEB N#C[C@H](N=C(c1ccccc1)c1ccccc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 16451209 LVIHSCNQUPCKOS-XCZPVHLTSA-N 435.958 6.923 30 40 IKEB COc1ccccc1/C=N/Nc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 16751354 OIWVXMWFQDKOLF-CVKSISIWSA-N 446.507 5.656 30 40 IKEB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(C#N)c3)c2C1 25389621 QGHUYYWUPHXRMB-GOSISDBHSA-N 441.531 5.053 30 40 IKEB CCCCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 53319380 ZFDKBLLHPFZCGK-UHFFFAOYSA-N 447.673 7.848 30 40 IKEB O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]23)cc1 100323262 LRZMINYCHKGPFT-MEPGZJLCSA-N 443.503 5.829 30 40 IKEB CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCCOCCCC 100925728 GXYHWRAMUDUHHY-UHFFFAOYSA-N 442.793 8.158 30 40 IKEB Cc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 102541275 KHRNUCZVOCCLJL-JBCNATCCSA-N 426.497 5.231 30 40 IKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1F 408595959 YEHJEMBEJYQLAM-FOKLQQMPSA-N 446.276 5.455 30 40 IKEB Cc1cc(/C=N/C2=C[C@H]3C(=O)c4ccccc4C(=O)[C@H]3C=C2)c(C)n1-c1ccc(N(C)C)cc1 408740704 LUTAOULZXCBFKV-YIKDSHDTSA-N 449.554 5.344 30 40 IKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1 408802254 YRNRMRIZHJUAOL-OYKKKHCWSA-N 439.309 5.226 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2cccc(I)c2)o1 408961913 VMKZQFGFVZSNFC-NHDPSOOVSA-N 431.229 5.308 30 40 IKEB CCOc1ccc(Br)cc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409069550 DJHUKVIUHQIBPX-ZVBGSRNCSA-N 432.196 5.221 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3O)c2C(=O)Nc2ccccc2)C1 409078638 HSDQQOJJGIAXQM-ZQZJVFIWSA-N 432.589 6.608 30 40 IKEB O=[N+]([O-])c1cc(/C=N\c2cccc(Br)c2)ccc1Sc1ccc(Cl)cc1 409116624 OHSBNNKGXQSWQQ-UUYOSTAYSA-N 447.741 6.913 30 40 IKEB Cc1ccc(NC(=O)c2c(N=C3C(=O)Nc4ccc(C)cc43)sc3c2CCCC3)cc1 409121948 WBVAOYVJRVESOF-UHFFFAOYSA-N 429.545 5.569 30 40 IKEB CCc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 409215627 CNVPJHWHBYVJFS-OGLMXYFKSA-N 444.372 7.494 30 40 IKEB Cc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1Cl 409216421 KYUJJHOOYDJNIS-JFLMPSFJSA-N 430.891 7.039 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1C 409216917 MJSJTZFRWUVAHG-WKULSOCRSA-N 434.366 8.093 30 40 IKEB CC[C@H](C)Oc1cc(N(C)C)ccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385112 SVIBLUKUGAXGPR-VKLJRCAFSA-N 440.547 5.189 30 40 IKEB O/N=C1\CCC=CCCC=CCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 1559624561 PNKVELXQIAPQHQ-GWFRYIGJSA-N 444.600 7.766 30 40 IKEB C=C(C)[C@@H]1C[C@@H](c2ccccc2)[C@@H](c2ccc(OC)cc2)O[C@H]1c1ccc(C(=O)O)cc1 2037879575 FGJPMMSPCUESQL-YIPNQBBMSA-N 428.528 6.572 30 40 IKEB CCCCCCc1cc2cc(-c3csc(/N=C/c4ccccc4)n3)c(=O)oc2cc1O 1813316 FPFCLQTZRHDPKQ-CVKSISIWSA-N 432.545 6.496 30 40 IKEB Cc1cc(I)ccc1/N=C/c1c(C)nn(-c2ccccc2)c1Cl 2282130 MEPXYGHXNMSPSP-SRZZPIQSSA-N 435.696 5.498 30 40 IKEB CC[C@]1(C)C[C@](CC/N=C/c2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 4951107 HXQQXLYXXSIJSC-XAVRWRCASA-N 425.569 5.439 30 40 IKEB Cn1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c2ccccc21 8821714 QAEOOFFUBDWXLJ-CAOOACKPSA-N 435.858 5.742 30 40 IKEB N#CCCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)c1ccc(Cl)cc1 12651179 RKWYVGHMYSXMJU-UHFFFAOYSA-N 441.922 6.113 30 40 IKEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2N2CCCC2)n(C2CCCCC2)c1C 13126880 QYFOMVZYZXBIMZ-UHFFFAOYSA-N 447.627 5.153 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 14133278 PRMQEZQNLSIDHU-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1cccc(Cl)c1 14257468 DYHYELZRZURWMT-AFUMVMLFSA-N 433.920 6.129 30 40 IKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)cc1 15826285 CHUMWJBCGUVNFZ-VWLOTQADSA-N 442.584 6.513 30 40 IKEB COc1cccc(-c2nc(CSc3nc4ccccc4n3CCC#N)cs2)c1OC 21332191 DNTJTOIXPKSXQK-UHFFFAOYSA-N 436.562 5.383 30 40 IKEB C=CCOc1ccccc1CN(Cc1cc(=O)n2ccccc2n1)c1ccc(C)c(C)c1 23015700 HVJZQFYTCHXXLF-UHFFFAOYSA-N 425.532 5.083 30 40 IKEB C=CCSc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2OC)s1 23054823 DRXFDEOWYKGBNI-UHFFFAOYSA-N 444.607 5.299 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O 32114458 WKDLTXHZNRBGLW-MZJWZYIUSA-N 448.906 6.502 30 40 IKEB Cc1ccc(/N=C(\c2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1 33454602 FETFHOWIUKAAPJ-ORIPQNMZSA-N 449.510 6.637 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 36020412 NVFBLCBUSIGTCH-NWIIOLSNSA-N 444.637 5.681 30 40 IKEB biogenic CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 36611359 DRIVNZNFPPZHPG-LSHDLFTRSA-N 449.319 5.621 30 40 IKEB N#C[C@H](C(=O)CSc1nc2cc(Cl)ccc2s1)c1nc(-c2ccccc2)cs1 40024269 UHWHJJDUYLICAF-CQSZACIVSA-N 441.990 6.042 30 40 IKEB N#C[C@H](C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2)C(=S)Nc1ccccc1 71415888 VAQHLYITMJLBCV-HSZRJFAPSA-N 448.551 5.400 30 40 IKEB N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Br)nc1)c1nc2ccccc2[nH]1 84583261 NYBCDIGZGKTETQ-AWEZNQCLSA-N 433.265 5.003 30 40 IKEB COc1c2c(cc3c1[C@@H](C/C(=N\O)C1=CC[C@H](CCC=C(C)C)CC1)N(C)CC3)OCO2 100756091 PBRQQVMWXPODJH-LEYFJVNLSA-N 440.584 5.646 30 40 IKEB biogenic Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)S1 260569696 RLGVTPWXPONKDN-ZGFXFUDXSA-N 440.012 6.262 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl 408935909 FDDKXLPPMMWZPV-DWZGDGSMSA-N 428.963 7.316 30 40 IKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1 409000507 YMIODNZDGHRYEW-MYKKPKGFSA-N 447.373 5.375 30 40 IKEB CC(C)(C)N(C=C(Cl)Cl)C(=O)Oc1ccccc1/C=N/c1ccc(Cl)cc1 409194746 QNSMZNAIBMCJLH-WYMPLXKRSA-N 425.743 6.966 30 40 IKEB CC[C@@H](C)Oc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409307014 QRSCJLMQSYJGAX-QGZVFWFLSA-N 448.523 5.412 30 40 IKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1O 815820 ZUFFGJVOIPXCQQ-PPHZAIPVSA-N 426.516 5.689 30 40 IKEB Cc1ccc(C)c2nc(SCC(=O)Nc3ccccc3Br)c(C#N)cc12 872699 UECOOKMTKSBODN-UHFFFAOYSA-N 426.339 5.217 30 40 IKEB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)ON=C1CCCCC1 890913 CIRQLYWXQJXZHO-UHFFFAOYSA-N 427.423 5.257 30 40 IKEB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1782382 CDRHUFSCBSMTOQ-NEXMIYJRSA-N 445.382 5.558 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 2082321 OGDLPSCUKHXIFJ-ZEHKLFRWSA-N 442.584 6.629 30 40 IKEB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 2209710 FOPDCUVSFHWKBE-HZYJKNPPSA-N 435.936 5.505 30 40 IKEB O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1SCc1ccccc1 8762680 LURIGFFCUVIWNZ-WYMPLXKRSA-N 447.343 6.745 30 40 IKEB O=S(=O)(C/C(=N\OCc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 8925776 GUOAPEHHBZMISF-DARPEHSRSA-N 434.344 5.388 30 40 IKEB CCN(CC)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c(O)c1 12819956 JGPJIQMERUPFDL-PGMHBOJBSA-N 428.557 6.272 30 40 IKEB C(#Cc1ccc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1)c1ccccc1 13810503 ZWFKTYACYSXJCJ-UHFFFAOYSA-N 447.541 7.359 30 40 IKEB Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2)n1 18158755 ZBAXQWXIPWNLPL-UHFFFAOYSA-N 429.311 5.512 30 40 IKEB aggregator O=C1/C(=C/Nc2cccc(Cl)c2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 20575777 IWOSTKKZVPRKSD-WQRHYEAKSA-N 448.928 5.027 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)=O 33511869 LCIYFIZWHQTBJU-JTUXUYRKSA-N 444.512 5.429 30 40 IKEB O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 33517331 OVLAHWVJHUASEP-XDHOZWIPSA-N 427.457 5.029 30 40 IKEB CO/C(=N\[C@@H](NC(=S)N(C)c1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 102431533 GPXRQNCGLLFFLM-HEQHKCQXSA-N 444.815 5.095 30 40 IKEB COc1ccc(-c2c(-c3ccccc3)oc(/N=C\c3ccccc3)c2-c2ccccc2)cc1 104246017 IWXOJESVRTVDCD-YQYKVWLJSA-N 429.519 8.040 30 40 IKEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223424836 VETLLUGMUCQCAN-AREMUKBSSA-N 446.978 5.345 30 40 IKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)c(OC)c2)S1 408881101 MCLRXIJUYZXEHU-JMIUGGIZSA-N 446.956 5.284 30 40 IKEB COc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CCc2ccccc2)C1=O 408915397 XZAXDGXHBXMXDX-KWPJTZOTSA-N 428.557 5.850 30 40 IKEB COc1ccc(Cl)cc1/N=C/c1cc(Br)c(I)o1 408955544 XOPFBJMSAXBAQC-OMCISZLKSA-N 440.462 5.059 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc(N3CCCCC3)cc2)sc2c1CCCC2 409060393 RKOFFMOPRLUKQC-TURZUDJPSA-N 443.616 6.620 30 40 IKEB C#CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 409213028 RZVRIFAJSWHFTK-PCLIKHOPSA-N 436.305 6.013 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1C(C)C 409213546 UJNNNGKYRIFGBQ-PIINERKHSA-N 444.600 6.508 30 40 IKEB CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 1201593 JESQQNXVXJKARR-YNSGVOSJSA-N 433.523 5.529 30 40 IKEB Brc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1780517 GIZYYMLTQPNXDE-BUVRLJJBSA-N 449.377 5.882 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c(OC)c1OC 2211072 JKHVYEMGTXQCGK-UUYOSTAYSA-N 436.435 5.047 30 40 IKEB C=C(C)Cn1c(SCOCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2293254 XJRDXTOFQNKYIF-UHFFFAOYSA-N 438.637 6.111 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2407831 QQNVZOSAGNARSD-UHFFFAOYSA-N 439.563 5.871 30 40 IKEB CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1C 6078604 ONQVUWZKTLKKKS-LSOGTARGSA-N 442.009 6.199 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 9272804 BGNSDCKQVAQFLK-HXUWFJFHSA-N 434.835 5.031 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC/N=C/c1cc(Cl)cc(Cl)c1O 9720936 OTLMMIUGFKJGCC-NUGSKGIGSA-N 436.217 5.547 30 40 IKEB N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccc(Cl)cc2)cc1 10119145 VIVXNGMVKYTTCI-OCSSWDANSA-N 425.919 6.068 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 11992188 RUFIANSLCQGIBO-VULFUBBASA-N 433.964 6.797 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1C 13041469 JPDKOOWOYYVOHF-UHFFFAOYSA-N 443.981 6.184 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)S2)cc1 14008708 GXWCLHZQMFPTCJ-CPNJWEJPSA-N 443.450 5.396 30 40 IKEB Cc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c2c(C)c(C)sc2n1 22168227 UYYYFIHBQCNOGK-CQSZACIVSA-N 428.558 5.183 30 40 IKEB CCCCCCCCCCCC(=O)O[C@H](CN1CCCC1=O)C[N+]1(C)CCCCCC1 97951087 GPEZZQLAOIFWDU-XMMPIXPASA-N 437.689 5.462 30 40 IKEB CCCCCCCNc1cccc2c1C(=O)c1cccc(NCCCCCCC)c1C2=O 102055778 FMLYBQQOIZBSCZ-UHFFFAOYSA-N 434.624 7.227 30 40 IKEB CC(=N\N=C(c1ccccc1)c1ccccc1)/C(C)=N/N=C(c1ccccc1)c1ccccc1 104068753 SQNDMHBJDILOHJ-QBRCKEFASA-N 442.566 6.813 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)cc2[C@@H](C)CC1(C)C 223579038 QPHZODRRAPCCDE-QCYAWUEASA-N 447.648 6.616 30 40 IKEB C=CCc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(OC)c1OCc1ccc(Cl)cc1 408542672 KWGABICCCRFXAQ-DHZHZOJOSA-N 440.883 6.031 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1 408870166 VHXAGWLQRBNQDH-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3cccc(OC(=O)c4cccc(Cl)c4)c3)n2)cc1 408983208 GEXQDEJKGKMVMW-VULFUBBASA-N 447.947 6.437 30 40 IKEB O=C1CCCC2=C1C(c1cc(Cl)ccc1O)C1=C(CCCC1=O)N2CCc1ccccc1 409038989 QEUKARKTQUFWMW-UHFFFAOYSA-N 447.962 5.702 30 40 IKEB Cc1ccc(-c2cc(/N=C/c3c#ccc(OCc4ccccc4)c3)n(-c3ccccc3)n2)cc1 409069593 LSQBZXNVWPODMR-NJZRLIGZSA-N 441.534 6.778 30 40 IKEB CCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OC 409198895 ADFSXHUJUFOPQK-KEBDBYFISA-N 429.685 5.411 30 40 IKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccc(Cl)s1 409290832 NJXFUWRDCITFLX-UHFFFAOYSA-N 433.842 5.679 30 40 IKEB CC[C@@H](C)n1c(C)c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531385025 OZKXNCCWPDPTDL-YPKLGXIKSA-N 434.543 6.180 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(-c3cccs3)c2C#N)nc1 1056214 RXJQMPCEWLEYON-UHFFFAOYSA-N 434.468 5.135 30 40 IKEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1cccc(Br)c1)CCCC3 2294220 KXWVTGKSBVUCEJ-LSHDLFTRSA-N 449.142 6.293 30 40 IKEB COC(=O)c1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 2398385 VMYXYEPJBJGKLA-YVNNLAQVSA-N 438.838 5.461 30 40 IKEB C/C(=N\NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1cccc2c1OCO2 5662947 RXIDOYLAWXOLHZ-KOEQRZSOSA-N 444.597 5.488 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 8820968 UBHSKOIJTFDGFS-YBFXNURJSA-N 445.327 6.154 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(OC)c1 9328566 SNSDCPQYVRGPEL-UHFFFAOYSA-N 434.348 5.422 30 40 IKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)c1ccc(Cl)cc1 9348667 KWPKGDWTQNXEAG-BCHBDCPOSA-N 425.241 6.305 30 40 IKEB C#CCOc1ccc([C@@H]2SC(C)=Nc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 14000957 SDQFDWUUARRMHY-QHCPKHFHSA-N 433.533 5.096 30 40 IKEB CC(C)OC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C(N)=O)CCCC4)o2)cc1 16575531 BBIJRHRKUUPSNE-LGJNPRDNSA-N 436.533 5.302 30 40 IKEB COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC 20196328 WUPRNOOMNAGANS-MZJWZYIUSA-N 428.891 5.199 30 40 IKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1OC 32115164 DLXSZALWMONLTO-SSDVNMTOSA-N 439.737 5.696 30 40 IKEB O=C(/C=C\O/C=C\C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 33374016 RJBDQJSLZXNNDS-HWAYABPNSA-N 436.099 5.321 30 40 IKEB C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@H]2[C@H]1c1ccc(OC)cc1 33453842 KUDIFHJEAAEZSH-ZOPPNSLZSA-N 447.604 5.361 30 40 IKEB COc1cccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1O 83295834 XCZAGJVIWOAYNA-ROTLSHHCSA-N 439.302 5.764 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]12 95913348 SWEUJTWPRYKNNX-AXLUDCLJSA-N 442.728 6.996 30 40 IKEB biogenic,in-vitro COc1ccc([C@@H]2C/C(=N/c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 100349586 SPBGJDSPDBEMTN-UPMFUBJASA-N 425.315 6.253 30 40 IKEB CCOC(=O)/C(C)=C1/N=C(c2ccccc2)O/C(=N/C2CCCCC2)N1C1CCCCC1 104228708 OKIBUTSBBORVHP-OLIJSBTRSA-N 437.584 5.581 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)S/C1=N\c1ccccc1 223534159 ZOUPOVGIRFKBMS-NBGJGOCSSA-N 433.621 6.423 30 40 IKEB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C=C(O)C(=O)C(C)(C)[C@@H]1CC3 263609180 UTKPULHOQVNYNK-VEWYUIBNSA-N 438.696 8.349 30 40 IKEB CCn1c(N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)nc2ccccc21 408692022 BOAZAKFSNKRQGE-LQKURTRISA-N 441.966 6.467 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1 408758213 HOZQTHMXNYLHOP-UDWIEESQSA-N 443.355 6.707 30 40 IKEB Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1ccc(Cl)cc1 408786962 YRZWAGMFDUAFLA-UUYOSTAYSA-N 434.708 6.103 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1)NC1CCCCC1 408801893 WNJJNUJGYCLWGQ-CEUNXORHSA-N 442.559 5.844 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S/C1=N/c1ccccc1 408928673 DDJHQTWXKPXUSN-SGXAETBLSA-N 436.508 5.726 30 40 IKEB Cc1ccc(C(=O)O)cc1N=C1S/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C(=O)N1C 409021393 FLCHEFSZEVIQIN-WWEQMIQGSA-N 443.484 5.059 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccc(OC)cc1 409021894 DNYCQQJIOPRELQ-WJEPFGLZSA-N 429.501 5.451 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409117976 PRBJFJWWMJFKKK-UHFFFAOYSA-N 432.520 6.140 30 40 IKEB CCc1ccc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)cc1 409300772 BCTKBCDUWWFVHZ-UHFFFAOYSA-N 438.369 5.651 30 40 IKEB CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)C2CCC(O)CC2)c(C(=O)O)s1 675082872 WPMJNLCLKAKMLA-POSCCBCBSA-N 445.625 5.307 30 40 IKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@@H]12 2033377409 PXDOMWMSMCFAEF-YCHKKZEYSA-N 444.562 6.254 30 40 IKEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 688885 LKOYHHDDYIPSGE-RUZDIDTESA-N 432.564 5.884 30 40 IKEB O=C1C2=C(NC(SCc3ccccc3F)=N[C@H]2c2ccc3c(c2)OCO3)c2ccccc21 1384527 IERBLXBUYYMVPN-QFIPXVFZSA-N 444.487 5.096 30 40 IKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1Br)Nc1ccc3ccccc3c12 2071143 MHUMJMPOTSSEDX-XMMPIXPASA-N 432.361 6.912 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N\c4cc(C)cc(C)c4)NC3=O)o2)cc1 2301136 GIFVUZRHIIZLJU-HMAPJEAMSA-N 446.528 5.632 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 2889468 JAUIPVXDVZRUEM-CQSZACIVSA-N 438.618 5.361 30 40 IKEB Cc1cccc2oc(-c3cccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)c3)nc12 3114304 IFNFDALZEXMZSV-FSJBWODESA-N 436.265 6.225 30 40 IKEB FC(F)(F)c1ccccc1NC(=S)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12 3328707 QCPSHYHTHRMICA-MZJWZYIUSA-N 438.478 6.174 30 40 IKEB COc1cc(/C=N/c2cccc(C(=O)Nc3cccc(Cl)c3)c2)c([N+](=O)[O-])cc1OC 4178088 VFRLWVQDMRBOSH-ZMOGYAJESA-N 439.855 5.268 30 40 IKEB CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(C(F)(F)F)c2C1 8992206 PPYSDCPHSOLLIL-AWEZNQCLSA-N 438.946 7.069 30 40 IKEB Cc1ccc(C(C)C)cc1CN1C(=O)[C@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 9614543 BQKIQGPTTKVGSV-QSRYBZNWSA-N 429.516 5.118 30 40 IKEB N#CCSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 13132185 IAVKZJGIXBUBAN-UHFFFAOYSA-N 436.920 5.204 30 40 IKEB Cc1c(/C=N/Nc2nc3ccccc3s2)c2ccccc2n1Cc1ccccc1Cl 14408462 WQFHOQRDZAPCKI-VULFUBBASA-N 430.964 6.707 30 40 IKEB Cc1cc(/C=N/c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(O)c([N+](=O)[O-])c1 16267615 WWTSLEJFMRAPHO-CVKSISIWSA-N 431.492 5.909 30 40 IKEB C(=N\N(Cc1ccccc1)CN(Cc1ccccc1)/N=C/c1ccccc1)\c1ccccc1 17424917 SFCSLWUSEWVDOK-ZWDAMSNJSA-N 432.571 6.017 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 40152477 FTGQIYPHKLMWPA-UHFFFAOYSA-N 447.523 5.671 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1OC 100284835 GLMPERVJHKLVCS-UHFFFAOYSA-N 433.677 7.452 30 40 IKEB CCCCCCCCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 100921852 BGESOWPFWBGFQJ-RUZDIDTESA-N 443.587 6.549 30 40 IKEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccc(/N=N\c2ccccc2)cc1 101024818 BBCGEOKSUREYKT-OUYNTLDRSA-N 441.516 6.959 30 40 IKEB CCCCCCCCC[C@@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C 101029645 MEFGTSQMHVIFOC-ADJIXUQASA-N 435.696 7.996 30 40 IKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1Cl 101650965 QONBAJUSZBELBL-OCLJWFPGSA-N 436.364 5.200 30 40 IKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC 102667368 XSBXVKJSHYYEQI-AYWGPLOBSA-N 437.536 5.014 30 40 IKEB CCCC[C@@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@]1(C)CC[C@@H]2C1(C)C 102979320 WEAZETIELYIGMB-IRBZQWRBSA-N 430.386 5.636 30 40 IKEB CCCCCCCCCCCCCCCCCCCCCCCCCCSC(=N)N 104375864 JDCKTSOBJOCGOT-UHFFFAOYSA-N 440.826 9.995 30 40 IKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc21 198151369 ZEJHFSDYRLWRNS-STBIYBPSSA-N 430.979 7.823 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 408702574 KMEFRAWXICYJRE-CFWGEQFBSA-N 447.575 5.603 30 40 IKEB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(N)=S)c2-c2ccccc2)cc1 408744756 ZSYLIGLXOITWON-MTDXEUNCSA-N 440.572 5.377 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1 408862887 NJJMGQFLLGTVKP-SHSCQTOKSA-N 440.540 5.780 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Sc4nc5ccc(C)cc5[nH]4)o3)S2)cc1 408963292 BIDPIOHJSOAQND-XDHOZWIPSA-N 446.557 5.816 30 40 IKEB COc1ccc(/C=N/c2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)c(OC)c1 409048684 UMYYIJDJNPOKFD-LSHDLFTRSA-N 445.338 5.253 30 40 IKEB Cc1c(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cccc1[N+](=O)[O-] 409080552 LOTUWHBFVRXHTM-NKZWWHGNSA-N 447.560 6.998 30 40 IKEB CCCOc1ccccc1/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O 409084398 XDGYYRDACPAQOV-AJGXWLHTSA-N 442.584 6.148 30 40 IKEB Cc1cccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c1C 409202297 QWOGHPJBFAPNSJ-FSJBWODESA-N 425.828 6.316 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1 409210753 MIICYDUWCVGIMM-UVHMKAGCSA-N 432.322 7.169 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3cccc4ccccc34)c(C#N)c2-c2ccc(C)cc2)cc1 409357582 JHCLNMOWWMHBEC-BIZUNTBRSA-N 426.519 8.006 30 40 IKEB O=C(c1cc(C(F)(F)F)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242932 MLTCDUPEHBXFLF-UHFFFAOYSA-N 426.584 6.010 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 707155 RYIPGNDNIOHWRE-DEOSSOPVSA-N 433.935 6.517 30 40 IKEB N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1 777998 JPHTUJLUFOVECH-UHFFFAOYSA-N 439.221 5.240 30 40 IKEB Oc1c(Cl)cc(Br)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 3116238 GOUVQIGDVKDNLR-FOKLQQMPSA-N 443.753 6.835 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 3982475 FVWJYYTZTCVBKE-MHYAHYFVSA-N 442.728 6.997 30 40 IKEB biogenic,in-vitro C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@@H]12 4023271 HSBSDJNJPQPKOI-LJNCTHMASA-N 429.604 6.003 30 40 IKEB biogenic C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1ccccc1OC 9671918 IMYSJSACQXUKQX-UHFFFAOYSA-N 436.968 5.942 30 40 IKEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1cccc2ccccc12 12275662 CXBLCLNZQRAKOM-QYQHSDTDSA-N 425.517 5.462 30 40 IKEB COc1ccc(/N=C2/S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 12420324 CVLCOTMAMDSXPO-MKIITAJQSA-N 434.492 5.652 30 40 IKEB O=C(Nc1sc(N/N=C/c2ccccc2Cl)nc1-c1ccccc1)c1ccccc1 13590937 MMKXZSIBWGMIJM-MFKUBSTISA-N 432.936 6.162 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OCC 15930505 LUQDOVXUQLFKQV-WOJGMQOQSA-N 431.319 5.763 30 40 IKEB N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1N1CCc2ccccc2C1 33324479 RCWYTHRWCAFDQY-UHFFFAOYSA-N 431.879 5.601 30 40 IKEB CCCCCCCCCCSCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 59211798 LRKZFOZFQZWUDM-UHFFFAOYSA-N 426.622 6.953 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/c1cc(C)ccc1C 100505588 AOMOWZNTDSGKSU-VHPLVOQASA-N 439.606 5.696 30 40 IKEB O=C1[C@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 100878555 DCUGRKVJPDVMFU-PQSQLZRBSA-N 441.915 5.149 30 40 IKEB CCCCCCCC/C=N/Nc1nnc(N/N=C/CCCCCCCC)c2ccccc12 104079196 RNLYBJDCOBJTGK-GPAWKIAZSA-N 438.664 7.926 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1OC 408907842 PFZXMWDTSBHEST-BHLGVUJGSA-N 444.556 6.069 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408911961 LFENNWUSBLZJCV-HKPGFAEHSA-N 430.573 6.559 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)S2)c1 409015617 ORNHKUIPSCBLSB-PDGQHHTCSA-N 443.018 6.753 30 40 IKEB C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC 409070224 NNHGZOOZHZOYTQ-UHFFFAOYSA-N 447.575 5.422 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1 409105763 OKTIPRHQEITJRN-KVSWJAHQSA-N 449.860 6.178 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O 409163236 NYDSZITXXNGNJR-YDZHTSKRSA-N 444.487 5.513 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409210659 KNRKENUMNLIZKJ-MFKUBSTISA-N 443.952 5.874 30 40 IKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC 815914 AVDNCSPUPQTZCG-NGOKVRLYSA-N 440.543 5.992 30 40 IKEB Clc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1 3044451 UIIULSYEYPJGOT-STBIYBPSSA-N 438.914 7.478 30 40 IKEB Oc1c(Cl)cc(Br)cc1/C=N/c1cccc(-c2nc3ccccc3o2)c1 3114654 WPZZTCMQQAJIND-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)cc(I)c2O)cc1 3131247 AWEAVGBQCWAPLK-CIAFOILYSA-N 437.277 5.013 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)cc1 4109143 BVJSFNFFKGSJEW-QDJRPKQISA-N 445.569 5.879 30 40 IKEB C=C(C)CS[C@@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CC[C@@H](C(C)(C)C)C3 4907125 RLVDOZLLKXBQFM-WAIKUNEKSA-N 426.651 6.564 30 40 IKEB Cc1ccc(/C(=N/S(=O)(=O)c2ccc(Br)cc2)Nc2ccccc2C)cc1 6076513 MJNDOWNISWUYTF-UHFFFAOYSA-N 443.366 5.314 30 40 IKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(OC(=O)c2ccccc2Cl)cc1 6473686 JHESMKBRSVCFND-ZHZULCJRSA-N 434.904 5.451 30 40 IKEB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)cc1 8811785 SMZFARDDIXNNCU-DHRITJCHSA-N 430.291 5.604 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 8883652 HDDGRPHOCACWHU-JOCHJYFZSA-N 436.920 5.227 30 40 IKEB Cc1nn(-c2ccccc2)c(CSCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C#N 13028251 RRJFYSHRZWEPJC-UHFFFAOYSA-N 431.348 5.231 30 40 IKEB Cc1ccc(/C=N/n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 13512346 LRHQVCASSAFGHN-WKULSOCRSA-N 448.530 5.226 30 40 IKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 13756745 QNDDIHBKFCJXDN-BRJLIKDPSA-N 427.722 6.703 30 40 IKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 13896096 KKEWDDSIGZQNBQ-FEDGQQDLSA-N 436.714 6.621 30 40 IKEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2cccc(Cl)c2Cl)c1=O 28536858 NMMQUUKXVDEUPK-UHFFFAOYSA-N 437.327 5.306 30 40 IKEB COc1cc(C(=O)/C=C/c2ccccc2OCc2ccccc2)ccc1SCC(=O)O 58161320 RSQQZHUBFXJMMR-ACCUITESSA-N 434.513 5.347 30 40 IKEB CCCCCCCCCCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12 97960073 YWUXYWZYOKCHAO-UHFFFAOYSA-N 444.663 8.169 30 40 IKEB O=Cc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(C=O)cc3)c3ccccc23)cc1 169506789 XTERTOOUIOHMBT-UHFFFAOYSA-N 434.494 6.418 30 40 IKEB C#CCOc1ccc2ccccc2c1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 408814924 GWIKFHNNZLYBQU-SSEXGKCCSA-N 429.519 6.678 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 408875969 IGRRFDDXCOIITP-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1[N+](=O)[O-] 409077590 GBJJJMXIYBSDFG-MAFAOTQISA-N 447.560 6.998 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 409151936 IEORBZFJQRDRMB-OEAKJJBVSA-N 426.497 5.374 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)o2)cc1 409156145 SDYRRRFHHZIMAZ-NDENLUEZSA-N 432.526 5.847 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O 409169213 VSIASXUGQQGHNK-HMAPJEAMSA-N 428.538 5.946 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 409208814 CGWCAHGOCSHYEX-AFUMVMLFSA-N 438.321 6.039 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/c3oc(-c4ccco4)c(-c4ccco4)c3C#N)c2C)cc1 409378301 NOJLIROOUDOCAA-MUFRIFMGSA-N 435.483 7.138 30 40 IKEB CCCc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)cc1 1792340 GMAGJCSNHDCCPL-UHFFFAOYSA-N 426.607 5.978 30 40 IKEB CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 6197653 WLIPUUDIJUGUGY-RUZDIDTESA-N 444.575 5.500 30 40 IKEB O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sccn12)c1ccccc1F 8857194 LEQPJZMHNPJLKR-MDZDMXLPSA-N 427.298 5.861 30 40 IKEB O=[N+]([O-])c1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1 8994319 VMSSRFACACSPJK-CNXRAYQQSA-N 446.510 6.701 30 40 IKEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2ccccc2o1 9329109 ZAPOLNZUDKAKKH-CQSZACIVSA-N 439.566 5.070 30 40 IKEB CCC(=O)Oc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)cc1OC 15024068 QCZROXJKAILXPK-RUZDIDTESA-N 427.500 5.728 30 40 IKEB COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1Cl 19841258 AMZLPKIYASITIO-UHFFFAOYSA-N 433.939 5.712 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1 33393163 GXMBUPUSJQJUTO-JTUXUYRKSA-N 430.529 5.508 30 40 IKEB C=C(C/C=C(\C)CCC=C(C)C)/C(C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N\O 61996978 KUNNXNOAUCFJRF-CIPRUOSZSA-N 440.584 5.812 30 40 IKEB biogenic Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(Cl)cc2)c1 64874094 CJHFHLVPPIMLAI-JOCHJYFZSA-N 432.911 5.119 30 40 IKEB COc1cc(F)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC 85413364 MQSYXWTUEHCXBE-AREMUKBSSA-N 431.507 6.306 30 40 IKEB CCCCCCCCSC1=C(SCCCCCCCC)C(=O)c2ccccc2C1=O 100314024 NHKODPLUMGYRPO-UHFFFAOYSA-N 446.722 8.465 30 40 IKEB CCOC(=O)/C(=C/NC(=S)Nc1c(CC)cccc1C(C)(C)C)C(=O)c1ccccc1 102934238 JDKNOSQTBVKGBE-KNTRCKAVSA-N 438.593 5.163 30 40 IKEB CO/C(=N\[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 103611280 NTSSBJCZIZYUSP-VBHMAFOESA-N 430.788 5.071 30 40 IKEB c1ccc(/N=C2C(=N\c3ccccc3)/S/C(=N\C3CCCCC3)N/2C2CCCCC2)cc1 103711640 TXPDBMSODBCQAQ-GTPAAYLHSA-N 444.648 7.517 30 40 IKEB CCCCCCCCNCc1cc(Br)c(OCc2cccnc2)c(OC)c1 105345561 ZXLBIDIADKGASU-UHFFFAOYSA-N 435.406 5.882 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc2C(C)=CC1(C)C 223498908 LVRLIFIPWLMQQV-KHHYFDFNSA-N 431.605 6.251 30 40 IKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 225767353 QNAFNGFJRAIEBK-UHFFFAOYSA-N 445.390 6.740 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408911964 LFENNWUSBLZJCV-WDVBHDOFSA-N 430.573 6.559 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl 409172986 NHDZCFVJHPUVOS-XLTHYULKSA-N 426.925 5.625 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409358784 GRQFWYPISJIIGQ-UHFFFAOYSA-N 438.622 5.245 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 409408314 XOAJHMVOKKJDGQ-UHFFFAOYSA-N 425.875 5.859 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2)nc2scc(-c3cccs3)c2c1=O 3291348 BMLGRHHILCRQLP-UHFFFAOYSA-N 439.587 5.103 30 40 IKEB CC(C)CN(CC(C)C)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 4116448 HJTYKSOEELGIMP-MIFWMJNYSA-N 432.608 5.512 30 40 IKEB CCCCCCCCCCSCC(=O)OCC(=O)c1ccc(Br)cc1 8407548 NVFYTCNNXSUOOS-UHFFFAOYSA-N 429.420 6.049 30 40 IKEB COc1ccc2nc(Cl)c(/C=N/Nc3nc(-c4ccccc4)c4ccccc4n3)cc2c1 9428471 XXPCRSOPELLTJH-JFLMPSFJSA-N 439.906 5.953 30 40 IKEB O=C(Nc1sc(N/N=C/C=C/c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 12062477 WUEHLAZWAATKHX-MPCPQKGKSA-N 442.519 6.313 30 40 IKEB Cc1ccc(S(=O)(=O)OCCCCCCCCCCCCCCCCC(=O)O)cc1 15443130 XJXKIEVCUXQWDZ-UHFFFAOYSA-N 440.646 6.636 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cc(Cl)cc2c1OCOC2 16577961 CKOVCUBTEMOSJB-RUZDIDTESA-N 445.946 6.669 30 40 IKEB CCOc1ccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2Cl)cc1 32907700 QOMCYXRCAPANGB-UHFFFAOYSA-N 433.924 5.404 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Cl)c(Cl)c1 33383055 FTYMBVBDFVXBCO-UHFFFAOYSA-N 434.392 6.259 30 40 IKEB N#Cc1ccc(Oc2cccc(C(=O)OC(c3ccccc3)c3ccccc3)c2)cc1C#N 35140537 OXRXGWNIFCGXNL-UHFFFAOYSA-N 430.463 6.169 30 40 IKEB Oc1c(Br)cc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1Br 38182131 KTVGMFNNIVUQAW-BLLMUTORSA-N 439.918 5.680 30 40 IKEB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 66091508 AVRJTFYNNVEQIR-XMMPIXPASA-N 448.994 6.200 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccccc1 83309720 BQDRNGQCCACKBX-UNOMPAQXSA-N 442.371 6.293 30 40 IKEB C[C@H](NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2)cc1)c1ccccc1 100093532 MXKVYUBQYKKLMX-HAWKZNDISA-N 437.337 5.456 30 40 IKEB Cc1ccc(/N=N/C(=N\Nc2ccc(C)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1 100142876 XKWBOQVHSLRVGV-HDMRNDRWSA-N 431.849 6.928 30 40 IKEB C=CCn1/c(=N/C(=O)c2cccc(Oc3ccccc3)c2)sc2cc(C(=O)OC)ccc21 100874232 ONZMMZBKGVAQRJ-QPLCGJKRSA-N 444.512 5.209 30 40 IKEB O=C(C[C@H]1S/C(=N/C2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccc(F)cc1 100951614 YKRFKKVQHCNZTG-UAPGPWSHSA-N 431.577 5.120 30 40 IKEB CCOc1ccc(/N=C2\SC[C@H](C)N2C(=O)CCCOc2ccc(OCC)cc2)cc1 103019215 OHRGRPRIIFNRBB-AXUOHLPSSA-N 442.581 5.295 30 40 IKEB CCCCCCCCCCCCCCCCCC[N+]1(Cc2ccccc2)CCOCC1 104171475 HMEMMXGWWWKHHL-UHFFFAOYSA-N 430.741 8.295 30 40 IKEB CCc1cc2c(cc1N1CCN(C(C)C)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 116889310 VDHBZTIEXVFHSI-UHFFFAOYSA-N 440.591 5.003 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)cc2)cc1 223611509 TXCGFSVHCLIKOI-LZHTXPGSSA-N 440.631 8.347 30 40 IKEB CN(C)P1(N(C)C)=NC(c2ccccc2)=NC(=NN(c2ccccc2)c2ccccc2)N1 334157869 QKZBNYIVDLAZRT-UHFFFAOYSA-N 445.511 5.215 30 40 IKEB Fc1cccc(Cl)c1COc1ccc(/C=N\NC(=S)NCc2ccccc2)cc1 408601448 JXOPHTJFZNWGLA-WGARJPEWSA-N 427.932 5.056 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1C 408777181 WCQZYPAZRAEKMC-UNOMPAQXSA-N 446.557 5.816 30 40 IKEB CC/N=C1/S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1CC 408930273 UVUHOYQSQGKDAY-VFHZPEHISA-N 439.584 6.155 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)c2ccccc12 408931514 MQFZNJLCRXGSAK-DZNDYGJHSA-N 446.572 5.879 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccc(OC)cc2)N(CC)C1=O 409020481 PTVHJZSATOPAEI-HXNPFYCNSA-N 446.572 6.261 30 40 IKEB CC(C)COc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409031004 GFNICBDIVGOPKK-ZXKDJJQISA-N 429.163 5.742 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)c2C)cc1 409183444 CRLODHBZVXRHLA-IWIPYMOSSA-N 445.588 6.001 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)c(Cl)c3)c2C)cc1 409186548 DPLAFVICIJDSNZ-ZMOGYAJESA-N 431.761 6.659 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC(=O)O 409209591 GQVVAMQJHFBFSR-REWBEUJESA-N 440.565 5.383 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409214133 WNVJIXFANIFQLO-LGJNPRDNSA-N 434.750 7.375 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 811223 ZYVPCBFLZWXWBQ-QFQXNSOFSA-N 444.575 5.066 30 40 IKEB CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)nc1C 1480038 NYBXNMGBHFAUHO-HXUWFJFHSA-N 446.528 5.054 30 40 IKEB Clc1cccc(-c2ccc(/C=N/c3cccc(-c4nc5ccccc5o4)c3)o2)c1Cl 3030228 POHPGOGUCAYQHV-MZJWZYIUSA-N 433.294 7.812 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 3169720 GATGLMYNXCFYRI-VULFUBBASA-N 443.300 6.867 30 40 IKEB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc3n2)cc1 7060148 LCUXFGFBCCVQAO-UHFFFAOYSA-N 439.540 5.975 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1)N1CCCCCC1 8873719 GEEZGDJNVNWPOH-VFCFBJKWSA-N 442.584 6.308 30 40 IKEB Cc1cccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)c1 9261512 CBSRRWYSANEKAR-LDADJPATSA-N 426.950 6.284 30 40 IKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 9296698 HNZGPYSFIOWBMD-WOJGMQOQSA-N 448.853 6.510 30 40 IKEB CCC1=Nc2ccccc2N/C(=N\C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 9614642 FVVMCHXBZDNGSR-DEOSSOPVSA-N 427.504 5.635 30 40 IKEB C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1ccc(Cl)cc1 9790739 XLXWZEPFJNLZEQ-CQSZACIVSA-N 431.920 5.199 30 40 IKEB COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 12951693 NSHLIMBWNHJGRP-UGNLZVGFSA-N 441.861 5.992 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 13899607 JCUQFBSGJBJVSM-PDGQHHTCSA-N 448.529 5.207 30 40 IKEB Fc1c(F)c(F)c(N/N=C\c2ccc(OCc3ccc4ccccc4c3)cc2)c(F)c1F 30702489 IGJXFSUQZDPWJG-FTCYSYDXSA-N 442.387 6.560 30 40 IKEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)c1C 59302128 RFKAYEUJGQNETE-BOPFTXTBSA-N 446.370 5.151 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@H]12 82051576 YQZIRLKEPCVJRH-XMMSGYHISA-N 443.031 5.085 30 40 IKEB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 98038602 RJKXINZOVBYZOZ-AIQBXGKYSA-N 429.501 5.442 30 40 IKEB CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc1ccccc1 104327339 GMPZUCASMVTPKD-UHFFFAOYSA-N 443.740 7.669 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 408861199 PHANRYGBNKQGAF-CFEYBBGKSA-N 445.415 7.176 30 40 IKEB CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408869934 RCRZKSMDSHAECJ-QCPPNAKLSA-N 448.588 6.046 30 40 IKEB Cc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C1=O)OCO2 408910163 WOYRQNBUHVLWFV-RDQBEEHUSA-N 442.540 6.089 30 40 IKEB COc1cc(Cl)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC 408962163 QOSQYYRIHHFCHI-VIZOYTHASA-N 443.739 5.556 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccccc4)cc3)c2C#N)C1 409082219 RUCNLHNFIVZUSV-YJLDXCOUSA-N 428.601 7.100 30 40 IKEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 409089225 YXJGFCCHDKRUGU-NDENLUEZSA-N 433.891 5.581 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409191361 WLELWDDSQUNKNM-LPYMAVHISA-N 446.915 6.032 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(OCc2cccc(F)c2)cc1 409405365 UGTZVYNTZKQLMN-UHFFFAOYSA-N 449.485 5.664 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1OCc1cccc(F)c1 1531384851 MFWGRARCLTZKQD-UXHLAJHPSA-N 449.485 5.664 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1 3098432 AVKQDJNVEBZLAT-RUZDIDTESA-N 431.532 5.187 30 40 IKEB Oc1ccc(Cl)cc1/C=N/Nc1nc(NCc2ccccc2)nc(Nc2ccccc2)n1 8872656 CKTRMSMOPPBPKU-CVKSISIWSA-N 445.914 5.032 30 40 IKEB Cc1ccc(N/C=C2/S/C(=N\c3ccc(C4CCCCC4)cc3)N(C)C2=O)cc1Cl 8927952 FEOYDAIPBVXBKG-VBMYQUNLSA-N 440.012 6.842 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(Cl)c1 9850169 ARGFITARBFZFAY-BJUXRVGASA-N 434.348 5.140 30 40 IKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 10118769 KCVWXZBCWNOUGA-CVKSISIWSA-N 439.899 5.350 30 40 IKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 10119093 SDAKWWBLIQAGBO-JFLMPSFJSA-N 429.347 6.095 30 40 IKEB Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2O)c1 13286109 LHVASEXWARVMIH-QDJRPKQISA-N 445.569 5.879 30 40 IKEB C=CCn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1ccc(Cl)cc1 16696071 UTCJYCWYUISUCC-XTQSDGFTSA-N 444.965 5.400 30 40 IKEB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H](C#N)[C@@]2(O)C1 17299288 IKAYYSYGCHKPAB-WBOGVSQLSA-N 443.716 6.987 30 40 IKEB CC(C)(C)c1cc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc(C(C)(C)C)c1O 18200340 AABBCWMDIMVUNO-DEOSSOPVSA-N 447.575 6.280 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 32984316 KETRRTIIVDBXNG-UHFFFAOYSA-N 439.920 5.388 30 40 IKEB COc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1F 33450986 NPKUHXKRAWRZQV-ZMFRSBBQSA-N 442.874 5.056 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@@H]21 45069004 ZJUABQDERHSYQM-LROMGURASA-N 440.605 5.634 30 40 IKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cc([N+](=O)[O-])ccc1Cl 59566730 ZQUFEXACWYLTCS-QPEQYQDCSA-N 428.684 5.447 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 97406733 LTFKDVHRYNOPCR-UCQKPKSFSA-N 427.504 5.720 30 40 IKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 100145059 WYDWSLXKZMJAJY-XXFRDUSWSA-N 440.455 5.086 30 40 IKEB CCCCCCCCCC(=O)OCCCCCCCOC(=O)CCCCCCCCC 100300487 QMFBUVOXEZHEFR-UHFFFAOYSA-N 440.709 8.305 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170414906 FHJJNUQUONLMAD-QHCPKHFHSA-N 435.564 5.378 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3cccc(C)c3C)NC1=O)[C@H](C)CC(C)(C)N2C 260573456 YRLXACYCOJFMBT-SUVVMJBMSA-N 433.621 6.225 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc(C)o3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408978362 YYBXKKGYEJEQJW-ZMOGYAJESA-N 432.505 6.350 30 40 IKEB COc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 409046247 JSQMSUDXEFRKKJ-UHFFFAOYSA-N 449.374 6.402 30 40 IKEB CCN1C(=O)/C(=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c2ccccc21 409149962 WPFOTHIDNZJAOA-WEMUOSSPSA-N 443.572 5.044 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(F)cc1 409169739 YZHKOIAJXNTIHX-WSDLNYQXSA-N 431.492 5.341 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 409187698 TYLHJBOHBRGCAX-VUTHCHCSSA-N 440.543 7.044 30 40 IKEB C/C=C/[C@@H]1C(C(=O)c2c(O)ncc(-c3ccc(O)cc3)c2O)=CC(C)=C2CC[C@H](C)C[C@H]21 514287863 FCQPLAILVSLWDT-IZMZQMABSA-N 431.532 5.933 30 40 IKEB biogenic,in-vitro Cc1nc(S[C@H]2CCCCC2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1 3211729 XCMYZNBHYABUBR-IBGZPJMESA-N 447.585 5.846 30 40 IKEB Cc1ccc(-c2nc(SCc3ccc(C(C)(C)C)cc3)c(C#N)c3c2CCCC3)cc1 4049789 LKEPQLUSFIWYCL-UHFFFAOYSA-N 426.629 7.397 30 40 IKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]2c1ccccc1 8854651 WRCJNJHZYXADIT-DEOSSOPVSA-N 446.547 6.407 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3C#N)n2)cc1 8991672 IBZPCAJQLMHHDK-UHFFFAOYSA-N 425.435 5.812 30 40 IKEB CC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccccc2)S1 9076528 FUJXZSHIILDOHY-RUZDIDTESA-N 443.597 6.287 30 40 IKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C/C=C/c4ccccc4OC)c3c2C1 9109773 OQMKVRXONMWMOV-ZFNRIHGUSA-N 434.609 6.352 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1 9488029 ODYMRBPZHOQQTA-IBVKSMDESA-N 447.534 5.699 30 40 IKEB CCOc1ccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1 13576530 FGZPNPTYWDRTON-OAQYLSRUSA-N 443.543 5.454 30 40 IKEB biogenic C=CCN1C(=O)/C(=C/c2ccccc2OC[C@@H](C)COc2ccccc2)SC1=S 13896354 JQZSDQWCPXHKOE-XESZTULISA-N 425.575 5.168 30 40 IKEB CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N/c1cccc2ccccc12 16189440 BQLAPSVLVYMZJW-GYRUEZOASA-N 439.540 5.583 30 40 IKEB O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1)c1ccccc1 16476835 JIXBFTOXLIHFAW-RDRPBHBLSA-N 440.930 6.639 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1O 19648243 KJCUIODJRMGZRU-SSVJFZKPSA-N 448.950 7.517 30 40 IKEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(OCC)c1 33500370 ULMAIZHRHXBRFY-VULFUBBASA-N 441.984 5.289 30 40 IKEB CCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccccc1 59193832 RBOHLHNLUCIQPN-WPWMEQJKSA-N 443.572 6.542 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/N(c3ccccc3)c3ccccc3)c2C)cc1 59427377 NZSDHHNBOJLSEX-ZTKZIYFRSA-N 437.543 6.443 30 40 IKEB CCCCCCCOC(=O)C(=Cc1ccc(C(=O)O)cc1)C(=O)OCCCCCCC 59663807 CPSWLWKWTOARRE-UHFFFAOYSA-N 432.557 5.795 30 40 IKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccc(C#N)cc2Cl)cs1 84180565 ISHXOGLWFFONMM-UHFFFAOYSA-N 427.982 6.262 30 40 IKEB CC/N=C1\S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC 100216809 VZESTVTXFIMOOI-GYOQDEGTSA-N 438.622 5.218 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N/c1ccc(C(=O)OC)cc1 101558124 CAQOZZZQCNHEAC-ZBNITPKASA-N 446.528 5.259 30 40 IKEB CCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 198674546 DEQOWOWYUXHCKY-PLNGDYQASA-N 438.174 6.717 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)S/C1=N\c1ccccc1 208506004 QEOGBPFVBWYANU-WOARFCOISA-N 431.605 6.332 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 408862693 IMEJBWSBZWMHJA-MUOWZRMUSA-N 431.561 5.772 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)S/C1=N\c1ccc(C)cc1 408910902 MEPBQTOLKQUIGB-PIINERKHSA-N 444.600 6.807 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C1=N/c1ccc(Cl)cc1 409085407 XCCCJKONQBCFRE-RGCUZMLDSA-N 431.901 5.214 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c(C)c1 409199822 DNSDGFRZIVJOHT-LQKURTRISA-N 444.372 7.549 30 40 IKEB COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1O[C@H](C)C(=O)O 409236514 SNWLRCYLQSTMKI-HTTPAORQSA-N 433.548 5.766 30 40 IKEB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 8426178 LYLRVDUFFCAVSI-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB COc1cc2c(cc1OC)C1=C[C@@H](c3ccccc3Cl)C3=C(CC(C)(C)CC3=O)N1CC2 9129327 MYVLDOMCMVGUBS-IBGZPJMESA-N 449.978 5.997 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)N(C(=O)C1CC1)c1ccccc1N2 9272083 ZHQYSJCZMJRFFK-AFMDSPMNSA-N 440.568 6.059 30 40 IKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)c1 13108368 LNQWIURCBDNZKW-ZMOGYAJESA-N 432.823 6.167 30 40 IKEB Brc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4s3)c2)cc1 14408423 UZIYNKIVXDCNLV-YDZHTSKRSA-N 438.350 6.084 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@@H]2c1cccs1 14606472 QOPUNIBTSAKGCW-RUZDIDTESA-N 449.620 5.423 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1 32984411 NYMJQMZQSCSQIQ-UHFFFAOYSA-N 435.520 5.709 30 40 IKEB COC(=O)c1ccccc1-c1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)o1 33291507 YFUKDNFDIIYZKM-UNOMPAQXSA-N 438.892 5.278 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2C)cc1C 44859303 IQQYHGCCJXZQCS-DEOSSOPVSA-N 426.520 5.083 30 40 IKEB Cc1ccc(Cn2cc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)c3ccccc32)cc1 59106024 DAPSSRKXLQFYLG-ZVHZXABRSA-N 441.531 6.029 30 40 IKEB CCOC(=O)C(C)(/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C)/C=C1\C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 100366585 HTMLPIZSIGYYRQ-MSORWNFPSA-N 426.597 5.459 30 40 IKEB O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 104240400 IRDOUFISEIOTJK-WOOAAIBNSA-N 425.271 5.015 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3cc(C=O)c4ccccc43)c2C#N)C1 408580561 CJFBHXKNOBKHBA-QGZVFWFLSA-N 433.577 5.567 30 40 IKEB N#CCOc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 408736089 DVKJMRMEWRCFTK-UWVAXJGDSA-N 428.273 5.020 30 40 IKEB COc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccc(C)cc4)cs3)cc2)cc1 408737678 UPEWBIDPZCAMKM-CVKSISIWSA-N 443.528 5.792 30 40 IKEB CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OCC 408982752 FDNFGQAFAZTRJH-OVVQPSECSA-N 443.572 6.721 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc(OCc4ccccc4)c3)c2C#N)C1 409082220 RUHOETUAJBJNTO-OHPNAPQJSA-N 428.601 7.100 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccc(OCC)cc1 409120056 UPXWDVDQCAFTRW-UHFFFAOYSA-N 439.147 5.234 30 40 IKEB CCOc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(OCC)c1 409146777 UVLQQMPTZYDCFA-NDZAJKAJSA-N 436.511 7.033 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c1 409209636 GZFZEEFJZLZFMQ-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CC1(C)CC(=O)c2cc(C#N)c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2C1 1301551 URZQZDUXRVJHBC-UHFFFAOYSA-N 434.348 5.146 30 40 IKEB Oc1c(I)cccc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 1433891 OKBDPQILWUYQOG-WSDLNYQXSA-N 440.240 5.556 30 40 IKEB C=CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)c(OCC=C)c1 2092318 WRKZOZGRMJORQL-ODLFYWEKSA-N 430.287 5.468 30 40 IKEB O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)S/C(=N\c2ccccc2)N1C1CC1 8497079 IJCKTLPHKMQYDC-XUYYCWMVSA-N 438.350 5.697 30 40 IKEB COc1cccc(-c2cc(-c3cccs3)nc(SCc3ccc(Cl)cc3)c2C#N)c1 8742316 VKJDVKGNUJCJOF-UHFFFAOYSA-N 449.000 7.303 30 40 IKEB O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 9124691 GIOTYPOMJYHBOR-OSPHWJPCSA-N 426.907 5.500 30 40 IKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2c(c1)OCO2 12569563 ALOTVNMXXHAMKK-YRNVUSSQSA-N 427.887 6.488 30 40 IKEB FC(F)(F)c1ccc(Cl)c(N/C(S)=N/N=C/c2ccccc2C(F)(F)F)c1 12624450 FGYCWERIGYPTAB-KTZMUZOWSA-N 425.785 6.109 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc2ncccc2c1 13475606 MFWFXSZMAIHTTE-JXAXBCJLSA-N 448.573 5.237 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18199723 VLYFPWGBPONZCI-UUOWRZLLSA-N 438.556 5.595 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 19848678 JXDCVZKEBIJJLD-XMMPIXPASA-N 449.978 5.730 30 40 IKEB O=C(c1ccccc1)N1C(=O)N(c2ccccc2)C(=N\c2ccccc2)/C1=N/c1ccccc1 104311523 HXWMFCLWDJULMR-IDDWGTJGSA-N 444.494 6.229 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O 214602531 YXDCQAYTYGEAPT-XDHOZWIPSA-N 444.350 5.559 30 40 IKEB C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C)cc1 408590277 HDVLUXXPBWGFLF-JVWAILMASA-N 446.503 5.770 30 40 IKEB COc1ccc(-c2nc(/N=C/c3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 408723309 TUHZVSZQWPQDTH-VULFUBBASA-N 439.367 7.543 30 40 IKEB C#CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 408917240 PPTXWWCZWVOMEL-LMTJQJACSA-N 437.524 5.672 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 408928769 ICIXCZYNWREJLJ-CGINZGNNSA-N 435.593 5.618 30 40 IKEB C=CCc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(OC)c1O 408962309 HANCAFVIRZHXCO-MHWRWJLKSA-N 435.332 5.328 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2C)cc1C(C)C 409282000 NTKZBCHIIBGYRE-UHFFFAOYSA-N 425.532 5.695 30 40 IKEB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)cc1 900646 BMVDLWCTPIDDEM-CYBMUJFWSA-N 428.439 5.153 30 40 IKEB Cc1cccc(N2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccccc3)C3=C2c2ccccc2C3=O)c1 2063453 MFLUFMCINVVGNQ-AREMUKBSSA-N 445.562 6.850 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C#N)C1 2082040 GINRSMLGSRKRLT-AWEZNQCLSA-N 431.399 6.176 30 40 IKEB C#CCCCCCCCCC(=O)O[C@@H]1OCCO[C@H]1OC(=O)CCCCCCCCC#C 6013655 VIBSGKFRYYRQHJ-UIOOFZCWSA-N 448.600 5.280 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cc([N+](=O)[O-])ccc1Cl 6077190 ROABCZJZJLHQTN-XMMPIXPASA-N 432.907 6.711 30 40 IKEB CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCC 8426342 OHNYCFJBZDDIEV-UHFFFAOYSA-N 436.666 5.627 30 40 IKEB CCOc1ccc(Nc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 8845925 WRXVQXAIOSWQKY-UHFFFAOYSA-N 435.867 6.181 30 40 IKEB CCC(/N=N/c1ccccc1C(=O)O)=N\Nc1nc2ccccc2n1Cc1ccccc1 8926074 OPDKSQJQEHFIOH-LBUKESEFSA-N 426.480 5.702 30 40 IKEB COc1ccccc1NC(=O)CSc1nc(-c2cccs2)c2c(c1C#N)CCCC2 9435173 GVYJYKGTDFXNLT-UHFFFAOYSA-N 435.574 5.300 30 40 IKEB Cc1ccc(-c2ccc(/C=N/Nc3ccc(I)cc3)o2)cc1[N+](=O)[O-] 12363635 BEEOUECHRQGAQE-RGVLZGJSSA-N 447.232 5.214 30 40 IKEB CC(C)Oc1ccc2c(c1)O[C@](c1ccccc1)(C(F)(F)F)N/C2=N\c1ccccc1 15906391 KFHRCXTYVDIAPE-HSZRJFAPSA-N 426.438 5.949 30 40 IKEB O=C(/C=C/c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cccc(OC(F)(F)F)c1 16158885 GPHUZZNZWRVTQO-CSKARUKUSA-N 442.311 6.640 30 40 IKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 23153761 XKFBRTYLQSZLCJ-UHFFFAOYSA-N 445.588 5.609 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(F)cc3)c2c1 28182407 UMHGZQYWTQOCAL-UHFFFAOYSA-N 431.463 6.455 30 40 IKEB biogenic CCCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OCC 33532240 LCWAPMMCWLRJGU-FMCGGJTJSA-N 425.312 5.170 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 33616706 WLTGSTWAXMZIIP-UHFFFAOYSA-N 448.773 5.522 30 40 IKEB O=C(/C(F)=C(\F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 95707813 LHQQPWDNJJTKPI-OWOJBTEDSA-N 428.066 5.372 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc([N+](=O)[O-])cc1 100505595 HPFLMCQXCXPFDO-YALZWYRPSA-N 438.534 5.145 30 40 IKEB CC(C)(C)c1ccc(S(=O)(=O)/N=C2/C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1 100822164 PFTSWONMVBFREO-NFFVHWSESA-N 444.556 5.354 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1ccc(Cl)cc1 108104661 YCFPLIZBLADXAP-UHFFFAOYSA-N 428.001 6.421 30 40 IKEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 219961312 MSLWWOMJIKEQMH-UHFFFAOYSA-N 440.587 5.958 30 40 IKEB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(O)=CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 253535691 IWTDBUXEKPBMLR-VBWGZTFCSA-N 429.604 5.889 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 408738027 IBBIAUDJKMNKQR-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB Clc1cccc(COc2ccc(Cl)cc2/C=N/N(c2ccccc2)c2ccccc2)c1 408814059 RBWIBFSFSUCRPU-RDRPBHBLSA-N 447.365 7.745 30 40 IKEB CCOc1cccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 408908880 SWJSJRDDEYAXMQ-GJHWIIEUSA-N 428.557 5.932 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 408915398 XZEOVENXYRUOFC-AJGXWLHTSA-N 442.584 6.901 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2C)cc1 408959596 BRNPLXYQJBHBKX-CMEWOCMCSA-N 446.576 5.176 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 408962548 SZDUBZRGKYMVFP-HYARGMPZSA-N 434.492 5.305 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 408974078 WVJLPLALESJAJK-PCLIKHOPSA-N 433.533 6.318 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2OC)C1=O 409059126 PPEJUJFTRQAFPG-PDGQHHTCSA-N 446.322 5.263 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C#N)C1 409083632 LEVJJMIOALJVEZ-JOBSNELWSA-N 433.533 6.690 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc([N+](=O)[O-])c1 409106718 TVTYFUXWHFDAHQ-KBKYJPHKSA-N 446.385 5.042 30 40 IKEB Cc1ccc(C)c(-n2c(C)cc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1 409402806 GDSZXAFRYOSROR-UHFFFAOYSA-N 446.554 5.970 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1Cl 3021631 JCEBXAWGGAXYKR-QLNITERQSA-N 448.400 6.154 30 40 IKEB N#Cc1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCN(Cc1ccccc1)C2 23153751 MLXLPJXXLUWVKC-UHFFFAOYSA-N 442.371 5.737 30 40 IKEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1 27024029 AEANKSPMVRBIJY-NRFANRHFSA-N 447.512 5.016 30 40 IKEB CCOC(=O)c1c(C)c2ccccc2n2cc(CSc3ccc(Cl)cc3)c(C#N)c12 48229437 XCQBCHHVJGLZPN-UHFFFAOYSA-N 434.948 6.395 30 40 IKEB N#Cc1c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)sc2c1CCCC2 59294164 KCHUWLYSELXPTJ-ACCUITESSA-N 433.558 5.285 30 40 IKEB O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 96766779 IEDQACBSFGZNNS-KXFIGUGUSA-N 432.288 5.739 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 100127283 NFVGQWMKSVJSOC-UZUQRXQVSA-N 437.561 5.015 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C#Cc2ccccc2)C1 118915127 AXNNSHMUJUSTKY-CGKHQHHXSA-N 434.620 5.744 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 408634359 PZDBZCQOPRZLLH-XKZIYDEJSA-N 428.469 5.496 30 40 IKEB CCn1c(N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)nc2ccccc21 408692965 ZOJJTCRXLMKDAI-MFKUBSTISA-N 449.352 5.844 30 40 IKEB Cc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2C)cc1C 408961321 RMRXURFOAKBZBL-ZYITZIQLSA-N 430.577 5.394 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3O)c2C(=O)NCc2ccco2)C1 409092688 WCJBVSCNDMIHDD-MWQSPYHUSA-N 436.577 5.878 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O 409157505 QWTRCRCUOWKNJW-YDZHTSKRSA-N 444.487 5.513 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2cccc(Cl)c2C)cc1 409199275 BFEPKOWXYTUROL-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(C(C)C)cc3)cc12 409304765 KVYAUDSBROEUTL-UHFFFAOYSA-N 437.499 5.824 30 40 IKEB O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N\N=C\c2ccccc2)N1/N=C/c1ccccc1 1529824701 NROCBNXIRZZCDF-IMVCIPHCSA-N 444.947 5.681 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)CC)cc1 1531276679 ONKGWXMOAAGMEY-LZCVXGSNSA-N 442.357 5.171 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384610 JAWUZLGNTFWRBO-VUTHCHCSSA-N 429.479 5.111 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 2343693 WCTKBMBMMXFNNY-GPEOYYQRSA-N 435.980 6.127 30 40 IKEB Cc1ccc(OCc2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)cc1 2350751 FOOCXBBDHXDBNZ-UHFFFAOYSA-N 426.545 5.627 30 40 IKEB CC1(C)CC(=O)[C@H]([C@@H](C/C(=N/Nc2ccccc2)c2ccccc2)c2ccccc2)CO1 5180178 BSMWLMCESYEKFA-XXQZRLPRSA-N 426.560 6.061 30 40 IKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 8742271 VWTPKLGJWDYOLU-UHFFFAOYSA-N 448.548 5.060 30 40 IKEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1cccc(Br)c1 8821157 JQTQOQPPGTVSCQ-ZSOIEALJSA-N 427.245 5.360 30 40 IKEB O=C(Oc1ccc2ccccc2c1/N=C/c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 9057008 VLTNSQGKBGIDIQ-RDRPBHBLSA-N 446.462 6.871 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 9260881 AVOKFHIXUBSAEN-HYARGMPZSA-N 428.538 5.543 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC 9304657 QXCHNEVRCWRNJA-JXKYSLRESA-N 444.556 5.816 30 40 IKEB Clc1ccc(/C(=N\c2ccccc2)[C@@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 17352829 UWSHCXPHJCVWGB-COLUNPBLSA-N 431.366 7.968 30 40 IKEB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1 25391341 RVFQAHQGMZYNPS-SFHVURJKSA-N 441.531 5.053 30 40 IKEB COc1ccc(C(=O)C2=CN(c3cccc(SC)c3)c3ccccc3S2(=O)=O)cc1 32984196 CUJRAFUXCLNVQP-UHFFFAOYSA-N 437.542 5.067 30 40 IKEB Cc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c(Br)c1 35288721 ZPJLSDNNWULUJC-UHFFFAOYSA-N 426.339 5.217 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc2c(c1)-c1ccccc1C2 39377191 UJOANJUWHUYRPS-HKBQPEDESA-N 441.574 7.721 30 40 IKEB CN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)cc1Br 59418055 ADYOEIQEBWONMP-MHWRWJLKSA-N 436.762 5.060 30 40 IKEB CCCCCCCCCCCCCCCCNCc1ccc(OCCCCCC)cc1 100023499 HVEWAUOCLGUZSK-UHFFFAOYSA-N 431.749 9.217 30 40 IKEB CCN1/C(=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)Sc2ccccc21 100201994 DGGWKBKZPUJPPX-SLJQUXCSSA-N 443.597 6.251 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccc(Cl)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 106297799 IMTARDPHIYIZHA-MUFRIFMGSA-N 442.902 6.906 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)s1 107755465 VGVYKRXCCGZXRO-FDKCTOBMSA-N 439.537 5.236 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 118916422 BKFIBDWKIPCPQA-BQHSJBSLSA-N 441.597 5.755 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2ccc(C)cc2C)cc1)S(=O)(=O)c1ccc(C)cc1 224477059 QWQFATBVWZPRGL-UHFFFAOYSA-N 448.588 5.241 30 40 IKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(OCC)c1 226329060 JLFSBFZLIHKLQA-UHFFFAOYSA-N 425.706 5.423 30 40 IKEB COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1OC 245228975 KJCBMTPITIADGL-MJZBBYSYSA-N 432.564 5.741 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 408674371 ZMKAKPXMNSRXBU-UHFFFAOYSA-N 438.568 6.497 30 40 IKEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(Br)cc1 408722562 KPLANTXKJJUXJN-ATJXCDBQSA-N 439.265 5.161 30 40 IKEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(I)cc1 408777591 CUBZFLVXJSYQAE-UUYOSTAYSA-N 434.708 6.103 30 40 IKEB C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1ccccc1Cl 408915560 XUYFMAZSNYCOPW-UHFFFAOYSA-N 444.914 6.119 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1Cl 409040181 XWTIGBFEWFQTDZ-ONAMSPKSSA-N 446.706 5.101 30 40 IKEB CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 409083978 LZIDAEAYILASHW-ACWMPWAISA-N 448.975 6.937 30 40 IKEB CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br 409086277 UYZOMQIPBXENRA-VSRRSJTHSA-N 444.442 6.350 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1ccccc1F 409113582 HPIXDLCNIPDOIQ-UHFFFAOYSA-N 439.958 7.106 30 40 IKEB CCN(CC)c1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 714603 SKKUHPMYBVGVIM-AREMUKBSSA-N 444.575 5.244 30 40 IKEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c(C)c1 1068400 POLQYPVNZHMTEU-WOLPYFHWSA-N 443.572 5.464 30 40 IKEB COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1 9264183 GXZVAFZNBOLXDS-HHHXNRCGSA-N 438.527 5.824 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OC)c3OC(C)C)c12 12682948 JPNYFBISCKGSCB-CCEZHUSRSA-N 429.520 5.475 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1CSCC(=O)O 12798659 DFRCOIFDFIWMRV-UKTHLTGXSA-N 448.540 5.488 30 40 IKEB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 13880907 YFYLWYGYFQGQBR-UUYOSTAYSA-N 445.569 5.034 30 40 IKEB CCOc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O 15018367 PINVISQOLIUBCR-JXKYSLRESA-N 444.556 6.216 30 40 IKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1O 15135034 KZBDHQUCULQILT-LSHDLFTRSA-N 439.225 5.017 30 40 IKEB COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1CSc1nc2ccccc2s1 35074592 PWZIBQSESXXLPX-SDQBBNPISA-N 433.554 6.199 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@@H]2c1ccc(Cl)cc1 44859236 OOEODYTVDKWZEP-JOCHJYFZSA-N 446.938 5.447 30 40 IKEB Clc1cccc(Cl)c1COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 59194439 VFQBJKDHFRHXLU-WYMPLXKRSA-N 428.344 6.628 30 40 IKEB C#CCN(Cc1ccc(OC(=O)OC(C)(C)C)c(OC)c1)Cc1ccc2ccccc2n1 96009226 ZNGHIYLDRMOFSN-UHFFFAOYSA-N 432.520 5.193 30 40 IKEB N#CCOc1cccc(/C=C(\Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)c1 96189954 WAAXOQKMXLZIDV-GDNBJRDFSA-N 425.922 5.352 30 40 IKEB CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O 100503092 YMCPRNQLKXTWCB-ZMOGYAJESA-N 437.293 6.112 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1 100856078 UJTFFZSBTHJEGC-SWVCQTRFSA-N 435.611 5.490 30 40 IKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC 102948800 GVFOMTJSYWRVDJ-DEOSSOPVSA-N 443.547 5.399 30 40 IKEB COc1ccc(-c2sc(/N=C\c3ccc(N(C)CCC#N)cc3)c(C#N)c2C)cc1OC 104168615 UZBOQGXUHIEDSC-NTFVMDSBSA-N 444.560 5.713 30 40 IKEB N#CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O 408861518 SFEUGXGPHXMMMS-NDBUTJIBSA-N 435.524 5.665 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)ccc1O 408911052 YHXBVWDOWVHRGG-BHLGVUJGSA-N 444.556 6.156 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OCC 408933578 AWQXCYDXPHSWOB-NXDGOGJJSA-N 438.571 7.061 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(O)cc3)c2C(=O)NCc2ccco2)C1 409080093 LDNKKIQOKUOBMS-PZLUAEMBSA-N 436.577 5.878 30 40 IKEB C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OCC)c1OCc1cccc2ccccc12 409191556 ZANOYCJLUYALHK-HZHRSRAPSA-N 442.515 5.069 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 409208278 AFPCTWOANMSHOO-MFKUBSTISA-N 443.952 5.738 30 40 IKEB CC[C@@H](C)Oc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409296143 SISAMLGVPJZWLH-GOSISDBHSA-N 437.499 5.869 30 40 IKEB COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 828098 CGXILCRLQXCGAY-UHFFFAOYSA-N 440.536 5.113 30 40 IKEB CN(C)/C=C/C(=O)c1ccc(NC(=O)CC2(c3ccccc3)C3CC4CC(C3)CC2C4)cc1 1391362 SKNNAVVSQOPSIR-OUKQBFOZSA-N 442.603 5.667 30 40 IKEB Oc1ccc(Br)cc1/C=N\c1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 2756268 YHZIJWSHHNLTGE-RMORIDSASA-N 443.684 6.073 30 40 IKEB Cc1ccc(C(=O)C2=C3Sc4ccccc4N3C[C@H](C(=O)c3ccc(C)cc3)C2)cc1 3648540 WNIMNXOYTCWXFQ-OAQYLSRUSA-N 425.553 6.213 30 40 IKEB C/C(=N\N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 8765903 AOSPMPNFGJAMCT-FIKIEOPKSA-N 438.383 6.838 30 40 IKEB Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C 8816391 PXQBQFHCMZUKTB-OVJLLXBISA-N 436.364 5.200 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9307596 KWXFXNXTVOBFAC-UHFFFAOYSA-N 434.609 5.722 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2cccc(Br)c2)C1=O 9731067 GEUCTLMLMPOZKC-WJDWOHSUSA-N 448.313 5.132 30 40 IKEB CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)Nc2ccccc2S3)c(OCCC)c1 12546855 BSXCEIFYZAJMOI-JLHYYAGUSA-N 445.584 7.369 30 40 IKEB Cc1ccc([C@H]2N=C(SCc3c(F)cccc3Cl)NC3=C2C(=O)c2ccccc23)cc1 12954668 GLSDWIARAGBKDB-JOCHJYFZSA-N 448.950 6.329 30 40 IKEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccoc1C 13020035 BDNPSYOEYREVBD-ZDUSSCGKSA-N 436.459 5.171 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 13145559 KYZPDXKYUDWQMG-GZTJUZNOSA-N 430.913 6.115 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c(C)c1 13303972 VOWKBWSZKSCQPS-SLJQUXCSSA-N 443.597 6.482 30 40 IKEB COc1cccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC 13567808 XGFSZHBIPSIMCU-GOSISDBHSA-N 439.939 5.521 30 40 IKEB O=c1oc2ccc3ccccc3c2cc1-c1csc(N/N=C/c2ccc(Cl)cc2)n1 13739357 UIMNMRVKUSHGHN-BRJLIKDPSA-N 431.904 6.169 30 40 IKEB CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 15979963 XKGBLPUZEGOBHN-FQEVSTJZSA-N 438.593 5.500 30 40 IKEB CCOc1ccc(-c2cs/c(=N/N=C(/C)c3ccc(Br)cc3)n2C)cc1 16948811 QXTMKZXSDMTSPV-BRTVWGSHSA-N 430.371 5.240 30 40 IKEB C=CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1ccc2c(c1)OCO2 19647806 XEBVHXQNBRVIBL-UHFFFAOYSA-N 448.573 5.584 30 40 IKEB Cc1ccc(NC(=O)c2ccc(N/N=C/c3c(O)ccc4ccccc34)c([N+](=O)[O-])c2)cc1 20367811 GOQMJMCVUSOQSX-CVKSISIWSA-N 440.459 5.460 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 28182742 MOTQDPBRQOQDMG-MXAYSNPKSA-N 429.903 6.510 30 40 IKEB Oc1ccc2ccccc2c1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 59475476 FVYFRDUXBIQJLP-VYVUJPJFSA-N 445.334 6.594 30 40 IKEB O=C(O)[C@@H]1CC(=O)N(CCC23CC4CC(CC(C4)C2)C3)/C(=N\c2ccc(Cl)cc2)S1 100815712 HLPZEZRNGAXCJH-RKYVKUOMSA-N 447.000 5.353 30 40 IKEB CCCCCCCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 105450250 XTNREGVZNQNYQW-PCLIKHOPSA-N 428.001 7.259 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)S2)cc1 223485515 NJMYWFUYZRBUOO-IWIPYMOSSA-N 445.632 6.551 30 40 IKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 225752743 YHMCMAUWBKAXKH-UHFFFAOYSA-N 431.363 6.494 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N\C3=C[C@H]4C(=O)c5ccccc5C(=O)[C@@H]4C=C3)c2C)cc1C 408741611 QVQREHMXYKQWFH-SGSJQRNASA-N 434.539 5.895 30 40 IKEB Cc1cccc(C)c1N=C1S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1C 408962483 YNVIPADKVAWUSV-JUQJSGDGSA-N 430.577 5.394 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3ccc(Br)o3)c(C#N)c2-c2ccc(C)cc2)cc1 409363010 UCCADOXOWZEPMU-MZJWZYIUSA-N 445.316 7.208 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 6407371 NZSJVRGPRFEVNE-XMMPIXPASA-N 430.548 5.246 30 40 IKEB CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N 8809561 BXQMOROUHQKCHM-UHFFFAOYSA-N 440.521 5.102 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccc([N+](=O)[O-])cc1 8821198 FRAVOLNBFRFKBU-AUWJEWJLSA-N 427.791 5.159 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 9019403 WPKZLRUQCYVOOI-HSZRJFAPSA-N 445.515 5.364 30 40 IKEB Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1ccc(F)cc1 9196619 BGIRKAFBFMUKNK-XODNFHPESA-N 440.349 6.568 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1 9679020 RZNALYVPKBLOEL-DZNDYGJHSA-N 428.557 5.850 30 40 IKEB Cc1ccc(C(=O)Oc2ccc([C@H]3Sc4ccccc4NC4=C3C(=O)CCC4)cc2)cc1 14671925 OTFFSGCLWOZGJS-AREMUKBSSA-N 441.552 6.480 30 40 IKEB COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCCN3CCOCC3)c2C#N)cc1 19882681 KUVOGPLPYASVNZ-UHFFFAOYSA-N 445.588 5.029 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NCc1cccs1 21722012 OYIXWMWGAKURDO-DEOSSOPVSA-N 449.601 5.106 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc4ccccc4c3)c2C#N)C1 32124575 SNBVGCMWVLTGCW-SFHVURJKSA-N 434.630 6.655 30 40 IKEB CCCCCCCCCCCCCCCCOc1ccc(C(=O)N2CCOCC2)cc1 98000407 VYPIGRKSKPXRRY-UHFFFAOYSA-N 431.661 7.019 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2)/C1=C(\O)c1cccs1 102800361 XZXPLAAQCYRUHG-SELCWUDQSA-N 436.489 5.123 30 40 IKEB CCOc1ccc(/N=C(\C)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2O)cc1 104095070 YXIBRHRUBIHCHQ-YZSQISJMSA-N 442.475 5.693 30 40 IKEB CCCCOc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409037143 SGNATACHYCDZME-LIMNOBDPSA-N 439.169 5.342 30 40 IKEB COc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)cc1 409199830 FCTUMIYDTWFPGM-MFKUBSTISA-N 443.415 6.208 30 40 IKEB Cc1ccc(C(=O)C2=C3NC(=O)c4c(sc5c4CCCC5)N3Cc3ccccc32)cc1 1751980 QYRMFWVOCPNLRT-UHFFFAOYSA-N 426.541 5.250 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2266982 RPLALAOIZYUTQC-UHFFFAOYSA-N 428.601 6.326 30 40 IKEB biogenic C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12 4085629 IUHODRMRSHJGHQ-HROMDODWSA-N 426.000 5.743 30 40 IKEB biogenic CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(CC)s1 6197664 VEHPKAAVCHEUTI-PEBXRYMYSA-N 427.591 5.297 30 40 IKEB COc1ccc([S@](=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 8781514 NULPBHCJUKOVDF-GDLZYMKVSA-N 445.327 5.293 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1cccc(Br)c1 8821163 MPILJAMPUDOSCS-AUWJEWJLSA-N 428.138 5.648 30 40 IKEB COc1ccc(/C(C)=N/Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 8873731 BGCBIYHSUGAGIE-ORBVJSQLSA-N 429.320 5.479 30 40 IKEB COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 8892354 GNKVJRZBFROKGL-OAQYLSRUSA-N 437.854 5.271 30 40 IKEB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 8916826 CQJJTUOODQCOMJ-PZGXJGMVSA-N 436.599 7.272 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 9259086 IXXQAWYPQGUEBB-VCHYOVAHSA-N 443.843 5.539 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O 9721113 MEQUTJZTPBHKBG-PGMHBOJBSA-N 436.577 5.385 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=N/N=C(/C(=O)c3ccccc3)c3ccccc3)c2C)cc1 12651727 KIXKCHBZMBTYKE-BSFXODIDSA-N 449.554 6.199 30 40 IKEB O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1)c1ccco1 16480955 XRQPTDCGSSTARC-WGOQTCKBSA-N 441.443 5.487 30 40 IKEB C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C 18213583 UWGWRVLVWZBCQF-GFMRDNFCSA-N 447.412 7.377 30 40 IKEB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc3c(c2)oc2ccccc23)C[C@@H](C)O1 59488594 RWZXQKINCTWOLT-FYVWAVOESA-N 429.476 5.858 30 40 IKEB Cc1ccc2nc(C)c(C(=O)/C=C/c3cccc(Br)c3)c(-c3ccccc3)c2c1 95116664 JYLDEUVMDDGMLT-WYMLVPIESA-N 442.356 7.177 30 40 IKEB CCCCCCCCCCCCOCn1c(=N)n(CCN2CCCCC2)c2ccccc21 100719585 YPTGKLPWYMNVHG-UHFFFAOYSA-N 442.692 6.303 30 40 IKEB CCOc1ccc(/N=C2\SCCCN2C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 103032952 HKSMESIJIHQPHN-PZDLKQIWSA-N 447.604 5.958 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(F)cc2)NC1=O 408818675 OJWSNSLRVOYWMV-BOPFTXTBSA-N 433.302 5.045 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)S2)cc1 409001721 QWMGBVSCEUKHNK-MYYYXRDXSA-N 437.568 6.198 30 40 IKEB COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)cc1 409093168 XSPBQQHZORTULE-BKBIYGFMSA-N 446.616 6.911 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC 409177419 AFUZGCNWSFGQIR-VCHYOVAHSA-N 435.929 5.458 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409210057 HUIBTUAYRRIFAU-VULFUBBASA-N 438.911 6.593 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1O[C@@H](C)CC 409215593 BXWKEXQPXQGUTE-RRNMEOMKSA-N 438.637 7.097 30 40 IKEB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)o2)cc1 409239819 QQZCHPAWVIHPPB-CIAFOILYSA-N 436.920 6.003 30 40 IKEB CCOc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(Cl)c1O 409295713 OZNWKKIEOZJDIA-UHFFFAOYSA-N 425.916 5.084 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)c(Cl)c1 409316307 PTIBPAIQIBLKPQ-UHFFFAOYSA-N 439.140 5.301 30 40 IKEB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC#N 409330149 JOOPOBOMWQQCPS-LDADJPATSA-N 430.938 5.047 30 40 IKEB O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H]2c3cccc4cccc(c34)[C@@]12N1CCCC1 2184609 LIFGSDXTAOHPPE-SMCANUKXSA-N 427.547 6.422 30 40 IKEB O=C1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1 2246797 XXQXNPFDFHFSKC-IBGZPJMESA-N 429.701 6.180 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 2261583 OOFYOLZPPLKISU-XRDZRPQXSA-N 430.371 5.083 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C\c2sccc2C)C(=O)N1c1ccccc1CC 2739803 IISNDDMLSLRENI-JTUXUYRKSA-N 432.614 6.990 30 40 IKEB CCOc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC 12619347 BJDCCWRIZUGCMN-NNFYUIBOSA-N 436.548 5.967 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O 15016291 VNVBIXCRPPKJLE-MOSHPQCFSA-N 442.462 6.149 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C#N)C1 17096126 QDCGXDOIVZLMAF-NXHRZFHOSA-N 428.598 5.547 30 40 IKEB Cc1cc(N2CCN(Cc3cccc4ccccc34)CC2)n2c(nc3ccccc32)c1C#N 19594236 MZQVEUAVOGIUJN-UHFFFAOYSA-N 431.543 5.143 30 40 IKEB COc1cc(/C=N\n2c(-c3ccc(C)cc3)n[nH]c2=S)ccc1OCc1ccccc1 19860967 KPZGAVGMRRUEKF-MYYYXRDXSA-N 430.533 5.386 30 40 IKEB N#Cc1ccccc1Cn1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c2ccccc21 33490609 RCDCKKNRFMINJJ-UZSQBTMGSA-N 440.553 5.436 30 40 IKEB CN(CC#CC[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 57234783 YHYCFPHOWSVNKM-WJOKGBTCSA-N 431.579 6.115 30 40 IKEB CC/C(C)=N/Nc1nc2c(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)ccc2s1 72230167 ZCQXOHBNACFTQE-MFKUBSTISA-N 441.988 5.110 30 40 IKEB CCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]1COC(C)(C)O1 72399735 LGWUPCHVFJGQAF-SSGKUCQKSA-N 428.654 6.110 30 40 IKEB in-vitro CCCCCCCCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1 95891091 VPYQDCKZMHOWFJ-UHFFFAOYSA-O 447.684 5.895 30 40 IKEB Cc1[nH]c2ccccc2c1/C=N/n1c(-c2ccco2)cs/c1=N/c1cccc(Cl)c1C 95951033 IQWMWHUWACXJKI-DRIVEXFLSA-N 446.963 6.676 30 40 IKEB Cc1ccccc1-n1c(C)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1C 107839444 WSXINTKQRVMRLJ-RDRPBHBLSA-N 432.527 5.662 30 40 IKEB CCCCCCCCCCCC[C@@H](Oc1ccc(OC(C)=O)c(CC(C)C)c1)C(=O)O 111882108 LMGNFMQANDKMEB-RUZDIDTESA-N 434.617 6.953 30 40 IKEB Cc1ccc(C(C)C)cc1COc1nn(Cc2ccc(Cl)c(Cl)c2)c(N)c1C#N 225847313 OLZXIKFRVOZQMH-UHFFFAOYSA-N 429.351 5.703 30 40 IKEB Cc1ccc(/N=N\c2ccc(N=C[C@H]3C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)cc1 408537290 UYSRETUGMHVLTD-DGVNZKBXSA-N 443.438 5.151 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1)c1sc2ccccc2c1Cl 408734594 ZDEVLEABTFFGNT-DHRITJCHSA-N 426.324 7.178 30 40 IKEB O=C(O)c1ccccc1-c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)o1 408913168 SXYZKABVMBFTIY-STBIYBPSSA-N 425.528 6.863 30 40 IKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC 408943936 SSTSGKJPRNWSDI-NXDGOGJJSA-N 438.571 7.061 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Br 408962514 SQGIXRQQIKMGIM-MBNTZHJCSA-N 449.345 5.657 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408968750 YPYOZZDTXZLRDA-VUTHCHCSSA-N 430.592 7.099 30 40 IKEB Cc1cc(/C=C2/SC(=Nc3ccccc3)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 409001724 QWTKLODKOZKYOK-UDWIEESQSA-N 441.478 6.005 30 40 IKEB C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OCC)c1OCC 409072802 LDTMUHBKIXHDNJ-UHFFFAOYSA-N 449.591 5.646 30 40 IKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409117540 OIVWPEPFCOGZRM-UHFFFAOYSA-N 448.519 5.922 30 40 IKEB C=CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC 409196880 ZQXAUDCCOMNWTK-UHFFFAOYSA-N 427.257 5.006 30 40 IKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1Oc1nc(Cl)ncc1F 409321278 SNPATHVJLYIFLO-ZDLGFXPLSA-N 428.872 5.790 30 40 IKEB CC(C)(C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531384355 ZJWWHLFXLYVQDZ-JVWAILMASA-N 431.923 5.776 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 1825950 JDKYJLKYIKZOPF-GZTJUZNOSA-N 432.364 5.420 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 2828764 TUXAWWFWXXNLRB-DEDYPNTBSA-N 440.952 6.522 30 40 IKEB N#Cc1c(SCCN2CCCCC2)cc(-c2ccc(Cl)cc2)nc1-c1ccccc1 8742337 HETZZZHTEFSICM-UHFFFAOYSA-N 434.008 6.519 30 40 IKEB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 8831563 ZOWAQPIHYWVBRX-HNNXBMFYSA-N 441.622 5.296 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 8985584 XDMMNKSTZOZEBT-OAQYLSRUSA-N 448.544 5.448 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)c2ccccc21 8993586 WPOMVAFQPOBABC-AFUMVMLFSA-N 443.930 6.818 30 40 IKEB CCOc1ccc(N2COc3c(cc4c(c3C)O/C(=C\c3ccc(OC)cc3)C4=O)C2)cc1 9060753 LUWYHIVQFNLEST-CFRMEGHHSA-N 443.499 5.375 30 40 IKEB C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC)C3=C2C(=O)CC(C)(C)C3)cc1 9731343 IDSBHZKXZGRQFR-UHFFFAOYSA-N 447.619 6.347 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/NCc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 10118703 IAKZEVIUMXVXQH-YDZHTSKRSA-N 426.816 5.072 30 40 IKEB CCCn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2ccc(C(F)(F)F)cc21 12520214 CVLCXEYQWASSSI-ORAYPTAESA-N 426.508 5.000 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 14271543 WOMCXKWLHUQIGQ-CQSZACIVSA-N 446.041 5.480 30 40 IKEB C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(-c2ccccc2)cc1 19682486 PNEMWLJFJBSCRB-AWSUPERCSA-N 443.594 6.465 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 58884129 NWUZMMIKVPHCJT-OTZYPNAKSA-N 448.910 5.015 30 40 IKEB COc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1 59484268 UWGZJRZJIVJYQM-BUVRLJJBSA-N 430.489 5.840 30 40 IKEB COc1ccc(C/N=C/c2c(-c3ccccc3)nn(-c3nc4ccccc4s3)c2O)cc1 96288152 GRXOUUVCSLNEFI-WGOQTCKBSA-N 440.528 5.482 30 40 IKEB CN(C)c1ccc(/C(=C/[C+](c2ccccc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1 101002283 NSSBKBYEHKDZPS-JJKYIXSRSA-N 431.603 6.921 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)c(Cl)c1 102148729 VEVQKFALIIEVFV-QUOYTPRUSA-N 429.998 6.033 30 40 IKEB C=CCN(c1ccc(C(=O)NCCC2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 224377831 DQQONFGZKXYQFP-UHFFFAOYSA-N 440.609 5.158 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2cccc(C(F)(F)F)c2)cc1)N1CCc2ccccc2C1 408730590 RMUBGISPUJLMRN-JFLMPSFJSA-N 444.478 5.203 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3c(O)ccc4ccccc34)cc1)N2 408936447 GLSSUTWJJAVVCN-AUWRRVOLSA-N 430.551 7.431 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccccc1OCc1cccc(Cl)c1 409031635 HTGDRMIFSDCMFH-JQAMDZJQSA-N 428.735 5.633 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c(Cl)c1 409037410 NMODAFXBBOSKGK-OUBWWKSTSA-N 433.667 5.222 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 409200267 HJYMBSJRILFIOX-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1C(C)C 409209931 ILCPSQVMKJOWSA-RRJMXWIWSA-N 428.985 6.008 30 40 IKEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c2ccccc2cc2ccccc12 409277872 BLNNWCALRJQRRN-UHFFFAOYSA-N 442.316 5.656 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 2294371 OGBCOTWFFJMYAK-UHFFFAOYSA-N 434.649 6.842 30 40 IKEB biogenic CC(C)CN(CC(C)C)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 4116449 HJTYKSOEELGIMP-LECGRMGRSA-N 432.608 5.512 30 40 IKEB C=CCn1c(-c2ccccc2)c(C(=O)OCC)c2cc(O)c(-c3ccc([N+](=O)[O-])cc3)cc21 6144385 QQRIFUSOVJFNOD-UHFFFAOYSA-N 442.471 5.952 30 40 IKEB COc1ccc(/C=C2\CC[C@]3(C[C@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 8761962 LHZZMHLXKOFUGQ-CZCOQVGXSA-N 448.559 5.477 30 40 IKEB biogenic CCCNc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1C#N 8762245 GCQQSPIOWIGOTM-UHFFFAOYSA-N 429.376 6.436 30 40 IKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c1 8984704 UIFYOTJHGRPWPN-VULFUBBASA-N 443.846 7.067 30 40 IKEB N#Cc1c(SCc2ccc(Cl)cc2Cl)nc(-c2cccs2)c2c1CCCC2 9246848 CFKOHUUDIHXGIT-UHFFFAOYSA-N 431.413 7.160 30 40 IKEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1 9969609 SYGILBHLEIZYAT-QFIPXVFZSA-N 449.890 5.276 30 40 IKEB C=C(C)C(=O)Oc1ccc(OC(=O)c2ccc(OCCCCCC)c([N+](=O)[O-])c2)cc1 13778762 XZCDGMWDDCPSTP-UHFFFAOYSA-N 427.453 5.255 30 40 IKEB COc1ccc(NC(=O)c2c(/N=C/c3ccc(F)cc3)sc3c2CCCC3)c(OC)c1 15946403 KZHDBPLBMFTQDT-VULFUBBASA-N 438.524 5.786 30 40 IKEB Fc1c(F)c(F)c(N/N=C/c2ccccc2OCc2cccc3ccccc23)c(F)c1F 16526330 RWABNOMBBMAZOF-PNQUVVCRSA-N 442.387 6.560 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3cc(F)ccc3S2(=O)=O)c(C)c1 32984413 KVGDLSHRTQQERX-UHFFFAOYSA-N 449.547 6.216 30 40 IKEB CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 36611399 ULGHBRWYOHZYHP-LIMNOBDPSA-N 448.829 5.256 30 40 IKEB CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CC)C2 102065638 DXKWSFJVEUXPNY-IBGZPJMESA-N 435.674 7.299 30 40 IKEB CC(C)N1c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223553606 MIPLGGRKFNGHID-LNDJBHNWSA-N 433.621 6.421 30 40 IKEB COc1cc(C)c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC 408549289 SBCYTSUCDTWJGO-GCNWNYGFSA-N 444.556 5.816 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC 408901605 GTQPTJSUQWUKAZ-QGOAFFKASA-N 429.950 5.157 30 40 IKEB CC(C)(C)c1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C(C)(C)C)c1O 409071364 NWSQUVQCROHLDM-RPPGKUMJSA-N 437.462 6.360 30 40 IKEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 409095956 BYEXAJCZTDUCNV-BHGWPJFGSA-N 447.278 5.330 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccccc1F 409199246 ANNAPUUBVWJMDZ-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccc(-c4ccccc4)cc3)C2=C(O)C1 1547208471 GFQWHMBNUNXGFG-VWLOTQADSA-N 431.535 7.132 30 40 IKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 712726 CXBANNODYSUWHE-HHHXNRCGSA-N 441.527 6.083 30 40 IKEB Cn1c(C2=CC(=O)c3ccccc3C2=O)c(C2=CC(=O)c3ccccc3C2=O)c2ccccc21 1692033 HNZGQJVXOOWVAD-UHFFFAOYSA-N 443.458 5.104 30 40 IKEB N#CN=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 5810856 ISTIRUDUMPUSKM-UHFFFAOYSA-N 444.582 6.228 30 40 IKEB CCOC(=O)[C@H](CC)Sc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N 6134515 JJVQOPITPCPTBY-QHCPKHFHSA-N 432.545 5.730 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 8820754 NLVJJSJAOWCZIQ-JLPGSUDCSA-N 444.556 5.864 30 40 IKEB CN1CCc2c(sc(/N=C/c3ccccc3F)c2C(=O)Nc2ccc(Cl)cc2)C1 8923777 JOZJHVDGWOSZEJ-BRJLIKDPSA-N 427.932 5.531 30 40 IKEB CCCOc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 8992510 HMQNYQUMXHEEJF-SILNSSARSA-N 428.444 5.948 30 40 IKEB N#CCCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nc2ccccc21 9224102 XBCOCJFFDNNMLS-UHFFFAOYSA-N 448.548 5.112 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)NC1CCCCC1 9423976 TYKZIUAEHDGGMJ-UHFFFAOYSA-N 425.501 5.242 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H](C)Oc1ccccc1 13850573 WDRJYEFPSRDVAD-INIZCTEOSA-N 442.972 5.297 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)NCc3ccccc3)c2c1 15880519 NEGPJEVFKUWBMS-UHFFFAOYSA-N 427.500 5.993 30 40 IKEB biogenic Cc1c(C=O)c2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 32124813 RMVPGKICTKBHSA-INIZCTEOSA-N 433.577 5.485 30 40 IKEB O=C(Nc1ccc(Cl)cc1)C(=N/Nc1ccc(Cl)cc1)/N=N/c1ccc(Cl)cc1 100401549 LRVSHCOCHAACCB-WYKZTKDVSA-N 446.725 6.795 30 40 IKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 100501559 SVVNCOSUAMKAGP-KMNHIJHVSA-N 448.276 6.581 30 40 IKEB CS/C(=N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl 100930593 RESWFBPFCVRLLK-QFNQXPJWSA-N 434.179 5.977 30 40 IKEB FC(F)(F)C1(C(F)(F)F)O/C(=N/C2CCCCC2)C(C(F)(F)F)(C(F)(F)F)O1 169803077 PEPLUYGLKLLGRG-IOXBOXJCSA-N 441.212 5.449 30 40 IKEB CCN1c2ccc(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)cc2[C@@H](C)CC1(C)C 223533552 DQTQSNCRNAPVGS-PVFDWLMNSA-N 433.621 6.307 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccccc1 224372221 YZZYOIYQNCFYEJ-UHFFFAOYSA-N 440.952 5.282 30 40 IKEB COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1OC 225694572 KJCBMTPITIADGL-UIFKONLOSA-N 432.564 5.741 30 40 IKEB CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl 408533441 YQJQXWXRCIJXLJ-YBEGLDIGSA-N 441.767 6.327 30 40 IKEB COc1ccc2ccccc2c1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 408718097 JGINKOOUNZGMQT-UHFFFAOYSA-N 430.544 6.249 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])o3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408722392 ICLOBIACPSOFQZ-FSJBWODESA-N 448.460 6.254 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3ccc(N(C)C)cc3)S/C2=N/c2ccccc2)cc1 408916444 CHTMZZJAXGLEOD-LTUYXDACSA-N 443.572 5.565 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(C#N)cc1 409065341 KQUYRMWNWFZOBN-RPPGKUMJSA-N 427.386 5.339 30 40 IKEB Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c(C)c1 409217035 QYUQSRJBSFUJOV-WKULSOCRSA-N 434.366 8.093 30 40 IKEB CC[C@@H](C)n1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c2ccccc21 409238912 MCUDAHQPKPQOFY-SPGQCELDSA-N 433.577 6.245 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccc(F)cc1 409246050 DDYJYUTXFVOQJW-KGENOOAVSA-N 441.524 5.588 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OC 409327379 JHZLPFXDQGGPDH-UYRXBGFRSA-N 429.538 5.367 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CC(=O)O)ccc1OCCC 585263922 HBFOECQEILVULC-ZLDNNBEGSA-N 442.983 6.582 30 40 IKEB CC1(C)OB(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)OC1(C)C 627281267 DFOHBZPAVOZPOY-UHFFFAOYSA-N 444.383 6.349 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781194 ITXHUVWRPATFIF-IVZQSRNASA-N 425.525 5.200 30 40 IKEB COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)c1 1080678 QNYKKNYGBJWNJR-XMMPIXPASA-N 425.488 5.225 30 40 IKEB CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1434760 XTQWHRDCJCPYIW-KMRXNPHXSA-N 438.527 5.900 30 40 IKEB Clc1ccccc1OCCn1cc(/C=N/Nc2nc3ccccc3s2)c2ccccc21 1840671 BBASBMXLZOUREY-CVKSISIWSA-N 446.963 6.429 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cccc(Oc2ccccc2)c1 2063030 OPKVJJOYHAOZBQ-PMERELPUSA-N 445.562 7.942 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)c1 2305462 ODEYDXCZDABXND-OYKKKHCWSA-N 429.589 6.219 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2388841 QYWLCTSGYQUKPH-UHFFFAOYSA-N 449.986 5.569 30 40 IKEB N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl 3447680 SHPFHBBTSCCCJQ-HNNXBMFYSA-N 436.842 5.214 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4059640 DZUNJFLGANAYID-VWLOTQADSA-N 445.559 5.433 30 40 IKEB FC(F)(F)c1ccc(N/N=C/C2=C(Sc3nc4ccccc4s3)CCCC2)nc1 6191346 IHIYNYDWXRZVJN-OPEKNORGSA-N 434.512 6.728 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C)o3)sc2c1 8740358 LFIXSWXSSDUEAX-LJQANCHMSA-N 434.473 5.136 30 40 IKEB ON=C(CSc1ccc(Br)cc1)CSc1ccc(Br)cc1 12338550 JTIYWEIIRXVOII-UHFFFAOYSA-N 447.217 5.926 30 40 IKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2cn(-c3cccs3)nc2-c2ccccc2)c1 12565033 RGBRNZGICSBIPW-RPPGKUMJSA-N 446.885 6.719 30 40 IKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/Nc2ccc(I)cc2)o1 16347965 OXHVQWOGMXZQLS-SRZZPIQSSA-N 436.680 5.959 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 18200389 SSCBFLWVNGUNQZ-SFHVURJKSA-N 437.584 5.617 30 40 IKEB O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 35419028 KZNNSZCBXBIFRV-WAPJZHGLSA-N 429.404 5.034 30 40 IKEB CCCCCCCCCCCCCCCCCn1c(C)nc(=O)c(-c2ccccc2)c1C 98045177 QIWDQQQSGBKNHJ-UHFFFAOYSA-N 438.700 8.399 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc(Br)cc1)C2=O 245241401 CTGFFXZZHKKDLF-XCSJNUKPSA-N 441.453 7.444 30 40 IKEB CCn1c(N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)nc2ccccc21 408692874 XIUJTHUBAHBLOD-UXHLAJHPSA-N 443.554 6.658 30 40 IKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl 408934349 AGKOMRFSYHGEMD-RCUHJWHVSA-N 440.974 7.482 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3ccc(Sc4ccc(Cl)cc4)cc3)cc2)cc1 409069952 KDJLWHWSSPARHE-MTDXEUNCSA-N 445.971 8.043 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 409074016 JLXSUXZAQWBPNF-WOJGMQOQSA-N 431.355 5.387 30 40 IKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409081915 OTCSDPRZDUZBGG-JZNDDVEWSA-N 447.560 6.998 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409086092 QCSJYRYFFFAHHG-YNCTYVJUSA-N 446.572 6.788 30 40 IKEB CC[C@@H](C)Oc1c(Br)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409097674 NTTNQMHDNOGXFK-PTGPUUDJSA-N 446.267 5.495 30 40 IKEB Cc1c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1F 409216445 IJKNKGIQDYITEY-ZPEKZKEPSA-N 449.595 6.226 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCC 409217256 UDXIPQVMGXRTPQ-SRZZPIQSSA-N 443.712 5.801 30 40 IKEB Cc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1Cl 409384929 GNQSAODRLIRVRG-BRJLIKDPSA-N 426.969 6.445 30 40 IKEB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)o1 1054550 OIPJDCSZNVUBDF-AFUMVMLFSA-N 426.432 6.130 30 40 IKEB FC(F)(F)c1nnc(SCc2ccc(Br)cc2)n1/N=C/c1ccccc1 1779094 PFQAVJOKVNRCAI-LSHDLFTRSA-N 441.276 5.234 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12 2371550 CLCSBMKBJABRHC-UHFFFAOYSA-N 446.551 5.682 30 40 IKEB CCN(CC)C(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)c(C#N)c1C 2747340 IZHIRMHHCVGVKB-UHFFFAOYSA-N 431.970 5.531 30 40 IKEB C=CCNC(=S)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 3172478 VJJUPHHLDLRGCD-UHFFFAOYSA-N 446.019 6.516 30 40 IKEB CSC1=N/C(=N\c2cccc(C(F)(F)F)c2)C2(CCCCC2)N1c1ccc(C)cc1 8442445 UTLMYUDGMRNLBZ-OOAXWGSJSA-N 431.527 6.986 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1 9046270 VXDXCRGRXUBKCO-FQEVSTJZSA-N 448.450 5.357 30 40 IKEB C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1cccc2ccccc12 9296446 DAMCVOWUYMLPHB-OVVQPSECSA-N 431.503 5.958 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21 9423930 VYMNHCMOLIBZQP-DHRITJCHSA-N 429.903 6.510 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c1 13567942 YCARZFRIDBLSRY-GOSISDBHSA-N 425.912 5.193 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N\n3cnc4sc5c(c4c3=O)CCCC5)c2C)cc1C 15224364 NRIDPLRUNPLEBB-WKIKZPBSSA-N 430.577 5.243 30 40 IKEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)cc1 25424839 LHJXPGMKENRDSJ-UHFFFAOYSA-N 431.706 6.203 30 40 IKEB C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCc1ccc(Cl)cc1 33546627 WYFZWEGUECBASK-UHFFFAOYSA-N 429.973 5.696 30 40 IKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@H]1O 38791508 ZGLHBRQAEXKACO-MWNGSTQJSA-N 428.657 5.727 30 40 IKEB COc1cc(C#N)cc(I)c1OCc1ccc(Cl)c(Cl)c1 226327438 RQIRRPAWPZJRJV-UHFFFAOYSA-N 434.060 5.057 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 408915765 ZVHRGWINCRELOG-AJGXWLHTSA-N 440.568 6.364 30 40 IKEB COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc(F)c1 408959978 BJVPRXPMPWXIPI-OEAKJJBVSA-N 448.519 5.613 30 40 IKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C)cc1 409115491 MNJICDHFOOCURY-UHFFFAOYSA-N 431.576 6.712 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 409218967 ZCBLPWHUFWBOSH-DHRITJCHSA-N 428.301 6.235 30 40 IKEB CC(C)Oc1ccccc1C=Nn1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 409284572 LUABIGCPGLVLLD-UHFFFAOYSA-N 442.357 5.126 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(C)C2=O)cc(OCC)c1OCc1ccccc1 409344539 JSFJAUZTTAMOAZ-XSFVSMFZSA-N 425.575 5.224 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccccc2)ccc1OCc1cccc(Cl)c1 409375170 GPYZIPWZYRYCPH-YSMPRRRNSA-N 438.911 5.307 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1-c1ccccc1 1531269233 STZUXWDFCHICTC-JZCUADNKSA-N 449.352 5.345 30 40 IKEB CCc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C 996811 AAMCXELSFXQLKU-BJUXRVGASA-N 436.364 5.146 30 40 IKEB Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(C#N)c3)c(Cl)nc12 1339439 FSABWXNUKXBSCU-UHFFFAOYSA-N 430.895 5.896 30 40 IKEB aggregator CCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 3166010 NZRLQQKPHLYIHV-UHFFFAOYSA-N 436.592 6.656 30 40 IKEB CC[C@H](C)OP(=O)(O[C@H](C)CC)[C@@H](c1cccc(Br)c1)C(C#N)C#N 4016318 NKOFMRPMDSNOGU-BMMNMRHSSA-N 427.279 5.977 30 40 IKEB CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 4047865 UXBLMKHKNIFXDS-UZTOHYMASA-N 443.978 6.386 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 8993431 MCCWDRZGIFZKMH-ZMOGYAJESA-N 425.440 5.022 30 40 IKEB CCCC[S@@](=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N 8994478 IEZCROJHWUNORM-MHZLTWQESA-N 439.378 5.957 30 40 IKEB N#CCCn1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c(-c2ccccc2)n1 9090789 VKVOMFLLPQLWNC-NKFKGCMQSA-N 443.510 5.764 30 40 IKEB C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 12192573 LYFJQNSFHABRNL-AOYPEHQESA-N 430.935 6.456 30 40 IKEB N#CCCn1cc(/C=C/C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 15696737 VLEYJOXJXIIDKX-SJFMBGHLSA-N 440.572 5.584 30 40 IKEB CCN(CC)c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nnc3-c2ccccc2)c(C)c1 16678401 MLTBAGXUXZANGK-FVDSYPCUSA-N 434.547 5.487 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)SC1=S 19798302 SDJHHVOKJHTZSI-WQRHYEAKSA-N 449.956 5.454 30 40 IKEB O=C(/C=C\c1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)o1)c1ccc(Cl)cc1 33376767 BZQNNUYVMDNVBR-ALCCZGGFSA-N 445.651 7.822 30 40 IKEB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)c3ccc(C)cc3)CC[C@H]12 45069010 ZJUABQDERHSYQM-BONDPLATSA-N 440.605 5.634 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccc(C)cc2)cc1 100283742 YGWLYJNWUSSFAG-UHFFFAOYSA-N 426.601 6.715 30 40 IKEB CCOC(=O)/C(C)=C1\N=C(c2ccccc2)O/C(=N/C2CCCCC2)N1C1CCCCC1 104228712 OKIBUTSBBORVHP-RWKWBVSFSA-N 437.584 5.581 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H](OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118914831 TUEREPUZRGDETH-PSTRLGLBSA-N 436.592 5.645 30 40 IKEB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 253500940 BHUDKWOFZIXCDR-XRVSPBBFSA-N 426.597 5.101 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 408593597 QLZKRDXNWQBPJE-WYMPLXKRSA-N 431.275 6.031 30 40 IKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S1 408766304 UERDHRXZRUFAJN-PDGQHHTCSA-N 426.950 6.284 30 40 IKEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 408913328 PZHMFUGMFYMPNM-LQLRGMOSSA-N 448.588 6.108 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)S2)cc1 408954022 RNLRAMFFOAPUKW-GIJQJNRQSA-N 442.338 5.221 30 40 IKEB CN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N\c1ccc(C(=O)O)cc1 409056201 NCYCXLZZDRHBPE-GZFRWTSMSA-N 438.508 5.925 30 40 IKEB CC(C)c1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 409183081 ACZRLJWQUSKXAD-IOUPCVQUSA-N 439.603 6.311 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 409208476 CKZMUMDLCMSVOI-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccccc1F 409407300 SZUNXFHJXZEQFN-UHFFFAOYSA-N 436.490 5.492 30 40 IKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 826444 UFEFEBAAPJACKN-FOKLQQMPSA-N 426.701 6.102 30 40 IKEB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(OC(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1 1098256 NNALQVPNWYVIHB-IBGZPJMESA-N 433.495 5.234 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccccc2)cc1 1414683 CNOCCSRKDOGPAD-VWLOTQADSA-N 436.511 5.297 30 40 IKEB COc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(OC)cc3)c3ccccc23)cc1 1564299 SNQCWOHNNKPROH-UHFFFAOYSA-N 438.526 6.810 30 40 IKEB Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1 2896775 QLFZTTVZCORTTE-DFJXIDDLSA-N 437.724 7.326 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 8433217 FWTXLNDFQLJULY-RRPNLBNLSA-N 433.677 6.548 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)OC)cc1 8452358 OBPBUAWGQFZUQD-HBAVDNSESA-N 435.332 5.404 30 40 IKEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Br)cc1 8952264 RZKMYTZIOJIAPY-ZMOGYAJESA-N 446.370 5.030 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Br)cc1 9246553 KQWHDJSPWCHABU-LJQANCHMSA-N 434.333 5.387 30 40 IKEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cccc3ccccc23)C1=O 9280110 CBRLGKFIWQUIKP-QNGOZBTKSA-N 443.524 5.010 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccccc3)c(C)c2)c1O 16282668 OWVIPQTUHDJBCK-ZMOGYAJESA-N 439.309 5.475 30 40 IKEB CCOC(=O)c1c(Nc2ccc(F)cc2)sc2c(-c3ccccc3)c(C#N)c(N)nc12 19891555 VLGFMBTZEDKCCM-UHFFFAOYSA-N 432.480 5.477 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccc(F)cc3)cnn1[C@@H]2c1ccc(F)cc1 64873966 SIMFEUSQLHGFRY-JOCHJYFZSA-N 448.473 5.072 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccccc2Cl)c(OC(=O)c2ccco2)c1)c1ccco1 102946683 HNUJTVKVVMFJES-AFUMVMLFSA-N 435.819 5.715 30 40 IKEB Cc1ccc(C(C)C)cc1COc1nn(Cc2ccc(Br)cc2)c(N)c1C#N 225843791 PHDXKKSGVHQWEZ-UHFFFAOYSA-N 439.357 5.159 30 40 IKEB CC1=CC(/C=N\Nc2ccc([N+](=O)[O-])cn2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 408749171 FCWZTSWXWSUGRV-NAADSQMESA-N 440.503 6.027 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl 408935914 FDDKXLPPMMWZPV-YLSYNAGFSA-N 428.963 7.316 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781195 ITXHUVWRPATFIF-QRQCRPRQSA-N 425.525 5.200 30 40 IKEB CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 1421946 WICGYMIPKFLOTE-ZDUSSCGKSA-N 433.624 5.264 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3F)C2)[C@@H]1c1ccc(C)cc1 1481045 MAZMYUIRJFIAFD-NGOKVRLYSA-N 440.518 6.055 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3s2)c(O)c1 3060154 BNCSVCOGKZIIOS-SSDVNMTOSA-N 425.307 5.888 30 40 IKEB CCOc1ccc2nc(Sc3ccc(/C=N/c4ccc5ccccc5c4)o3)sc2c1 3667032 YHHSGWMOWZTUTC-MFKUBSTISA-N 430.554 7.343 30 40 IKEB COc1ccc(COc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 9423513 SSXRZBWBNNBAIX-AFUMVMLFSA-N 425.484 5.691 30 40 IKEB N#Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cc1 9489949 FUJWULVYCABEQW-FUHWJXTLSA-N 445.832 5.321 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3C[C@H](C)C[C@@H](C)C3)C2=O)c2ccccc21 28182840 NZJVEMLDYNICJQ-YFLRDDLESA-N 430.548 5.461 30 40 IKEB CCCCC(=O)NC(Nc1ccc(OC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F 98049070 LPLINXCCTVWIIL-UHFFFAOYSA-N 426.279 5.124 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NCCOc1cccc(OC)c1 100049841 JCGFVNXZEIXNEL-UHFFFAOYSA-N 433.677 7.452 30 40 IKEB biogenic CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(C3OCCO3)c2)cc1 102453870 OWDSEBUYFVQYLU-UHFFFAOYSA-N 440.584 6.896 30 40 IKEB CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CCS1 195996057 WLDRJVJOEKXTIE-UHFFFAOYSA-L 449.289 6.830 30 40 IKEB CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Br 408600858 GQPYIWFMEZRIKC-WQRHYEAKSA-N 431.355 5.376 30 40 IKEB Clc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408741800 SAQCUFZHBCOOLP-NJZRLIGZSA-N 432.954 8.215 30 40 IKEB N#CCn1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 408808647 QNRPKHOHLHXRAX-NTFVMDSBSA-N 444.604 5.918 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(OCC)c3ccccc23)S/C1=N/c1ccccc1 408929987 QMZMDFMEZCVOHP-BDMFQALQSA-N 446.572 5.879 30 40 IKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 409099661 SPTQMZWJIUUWKM-YSURURNPSA-N 433.342 5.326 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409210473 KJDMNURZFMLQSM-LGJNPRDNSA-N 443.330 6.079 30 40 IKEB CC(C)/N=C1\S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1C(C)C 409212085 OULLLJSQOAHKEJ-AQWOHROKSA-N 431.026 6.580 30 40 IKEB CC[C@H](C)Oc1ccccc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409286383 YMOCEOQAKNEZOT-HNNXBMFYSA-N 442.357 5.342 30 40 IKEB COC(=O)C[C@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C/c1ccc(C(C)C)cc1)C3=O 1081803274 OFKGYDCNJYZQLI-BOURKTIISA-N 441.483 5.622 30 40 IKEB COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1 984349 KYNOUCMSUPMWLO-DNQXCXABSA-N 427.504 5.128 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 2184907 NIVJVGWEIQFBNK-HZHRSRAPSA-N 430.529 5.474 30 40 IKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)cc1 2234905 RMFFMQCOQUSHTM-UHFFFAOYSA-N 443.526 5.702 30 40 IKEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccc(Br)cc1)CCCC3 2299258 QQZLDQKXTABNPZ-LSHDLFTRSA-N 449.142 6.293 30 40 IKEB C=CCSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2ccc(Cl)cc2)c1C#N 3214544 BSYDUKZHIOBFTL-UHFFFAOYSA-N 433.964 6.421 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2Cl)cc1 6406265 XLTUYEOKLDGWRD-JXFKEZNVSA-N 446.330 5.059 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)c1C 8886300 NWCLVJQCBKLLNE-JTSKRJEESA-N 449.624 5.671 30 40 IKEB CCCCOc1ccc(C(=O)/C(=C/c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 9030803 XKFUFHLEJRHHES-CLCOLTQESA-N 441.527 6.829 30 40 IKEB Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)S1 9720895 DAWPIDWECXUDLA-XDHOZWIPSA-N 428.344 5.984 30 40 IKEB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)c1 23134088 HPQRMUHBRASWHU-UHFFFAOYSA-N 447.560 5.158 30 40 IKEB O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 33740032 WXKQREZLZURXNV-QPEQYQDCSA-N 439.496 6.099 30 40 IKEB C=CCN(C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)c1ccccc1 33863176 NDGKEGWNJPKIGH-UHFFFAOYSA-N 441.494 5.712 30 40 IKEB C=CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)c1nc2c(s1)CCCC2 84274886 TZEAOYPCQCFPRV-UHFFFAOYSA-N 441.647 5.912 30 40 IKEB CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@]1(C)OC(=O)C(O)=C1O 101109028 WIURPIWWJPTTRG-FDDCHVKYSA-N 428.566 5.015 30 40 IKEB O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(Cl)c2)/C1=C(\O)c1ccc(Cl)cc1 102863912 LYVLFACVDGUCBI-UYTDBDHRSA-N 431.300 5.076 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)S2)c1 223601900 RYZKLHMDZDUQLR-QCYAWUEASA-N 447.648 6.696 30 40 IKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1C 408768147 UCNSPDITUZYTRB-ZMOGYAJESA-N 425.326 5.702 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409035423 SPXCCFFWJWTXTR-WAFGOLETSA-N 429.163 5.885 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c2C)cc1 409186780 HTQKKACMUARUIM-HAHDFKILSA-N 431.561 5.693 30 40 IKEB C=CCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409346092 MOYIUNQAXHDMBQ-GDLZYMKVSA-N 446.550 6.617 30 40 IKEB CC(C)(C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409407172 SNXVGSQENHBQMD-UHFFFAOYSA-N 442.475 5.031 30 40 IKEB CC(C)[C@@H]1C[C@@](CC/N=C/c2ccc(N(C)C)cc2)(c2ccc(F)cc2)C[C@H](C(C)C)O1 524732370 WDVYMEQCQYFSKG-YEUFPSONSA-N 438.631 6.498 30 40 IKEB FC(F)(F)CNc1cccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1848350326 DNWKXQZLYZDZGZ-UHFFFAOYSA-N 437.224 5.898 30 40 IKEB O=[N+]([O-])C(/C=N/c1cccc(Br)c1)=C/Nc1cccc(Br)c1 2269892 UENBASIZYBEXNQ-MPGSNBGNSA-N 425.080 5.144 30 40 IKEB Cc1cccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c1 3082617 MUWALAUZTCLUDC-WYMPLXKRSA-N 429.259 6.180 30 40 IKEB CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 4018585 HJYQHNZJOCPURW-SANMLTNESA-N 441.531 6.124 30 40 IKEB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(C)c3)S2)cc1 6500780 OUUOMCCLLYKORX-TYGLDRHGSA-N 439.581 5.072 30 40 IKEB O=c1oc2ccc3ccccc3c2cc1-c1cnc(N/N=C/c2ccc([N+](=O)[O-])cc2)s1 9434493 SYVISQYMONQDKO-BRJLIKDPSA-N 442.456 5.424 30 40 IKEB Cc1nc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c(C#N)c(C)c1C 9794515 MONHPYVQMOUKCO-SFHVURJKSA-N 436.562 5.003 30 40 IKEB CCOc1c(I)cc(/C=C2\Sc3ccccc3C2=O)cc1OC 12411290 AWDPUWODVWOFJG-YBEGLDIGSA-N 438.286 5.028 30 40 IKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)c1 12419017 ZVHIHHTYHFAWBF-UHFFFAOYSA-N 429.432 5.035 30 40 IKEB O=C(/C=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(OC(F)F)cc1 13960095 ZWYHAOJQBUAAOZ-BQYQJAHWSA-N 442.311 5.913 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 19898834 VRAHPYATKVSEBV-JOCHJYFZSA-N 432.907 5.641 30 40 IKEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1cccc(NC(=O)c2cccs2)c1 22879367 XKNVHVQCPCEXKZ-UHFFFAOYSA-N 428.538 5.714 30 40 IKEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)o2)cc1 27562698 YFDWPOHDXHHIEA-QFIPXVFZSA-N 436.943 5.514 30 40 IKEB C=CCn1c(SCc2cccs2)nnc(Nc2cc(Cl)ccc2Cl)c1=O 28538557 AFWGDBBTJNWFKE-UHFFFAOYSA-N 425.366 5.229 30 40 IKEB CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 36611333 MACPCAUUYFEANJ-FSJBWODESA-N 442.928 5.666 30 40 IKEB CCN(CC)S(=O)(=O)c1cc(/N=C/c2ccc(Cl)cc2)ccc1N1CCCCC1 100191404 NDVOUCXZFIEMTK-JJIBRWJFSA-N 434.005 5.111 30 40 IKEB COc1ccc(C(=O)/C=C(\CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 100339725 ZSSXBNVKMBKHSS-CAPFRKAQSA-N 435.317 5.997 30 40 IKEB COc1ccc2ccccc2c1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 408718069 GXTMEFLAMGQHAS-UHFFFAOYSA-N 429.560 5.822 30 40 IKEB Cc1ccc(COc2c(Cl)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)cc2Cl)cc1 408749875 JTUBHVLHDLAIII-VROXFSQNSA-N 431.279 5.630 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 408764545 UNSSLKVKZADRTK-HMAPJEAMSA-N 435.980 6.202 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408908177 BKMUECQWWNTEIM-MYKKPKGFSA-N 434.254 6.066 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)c2ccccc12 408914073 SJIAAGXXJDTHTO-PYIPUQDCSA-N 444.600 6.949 30 40 IKEB COC(=O)c1cccc(-c2ccc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)o2)c1C 408960323 DVVYESZGYPAYKU-FYJGNVAPSA-N 432.501 5.242 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2cccc3cccnc23)o1 408993858 XKTDVQPSMGFCAE-RGEXLXHISA-N 429.526 5.871 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)c(C)c1 409104544 FRHYVUJTDUCHPQ-RPPGKUMJSA-N 430.430 6.084 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(Cl)cc1 409152414 FGZACTKHZDYRFB-WSDLNYQXSA-N 447.947 5.856 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 409212366 QMKHTLHBULWQLX-HYARGMPZSA-N 430.323 5.276 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc3ccccc23)C2=C1CC(C)(C)CC2=O 409217633 DWLLXNLPHRTPLU-UHFFFAOYSA-N 427.588 6.545 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cc2ccccc2o1 409339449 IDZFBIWABHNBCT-UHFFFAOYSA-N 438.940 5.570 30 40 IKEB COc1ccc(OC)c(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)c1 409356191 FNERKWOODOWWAE-OCSSWDANSA-N 436.511 6.870 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1cccs1)C2 717695 UZUXXFJQRCTHNQ-WAIKUNEKSA-N 437.561 5.070 30 40 IKEB CC/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC 2185323 JFBIQWUQAAUWBX-OOROLWMESA-N 428.863 5.931 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2209695 MQXYOFAVRXYSMF-UHFFFAOYSA-N 442.628 6.189 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 2259235 XFDTZFCNPVJKED-HMUJPTBDSA-N 429.589 6.091 30 40 IKEB CC1C/C(=C/c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1 6172526 DPCPTISPIMFHIU-BQWARBPISA-N 446.182 6.678 30 40 IKEB COC(=O)c1ccc(/C=C(/C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 8990345 GIDXKFVGVVMQDH-RGEXLXHISA-N 443.455 5.055 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c1OC 9233753 CKXKNINAPHTSQP-NVNXTCNLSA-N 442.846 5.268 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)SC1=S 9259494 JPSNDBIGCHQUHO-KQWNVCNZSA-N 430.598 6.148 30 40 IKEB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc12 9708979 MKIZFCGECZUKBZ-UHFFFAOYSA-N 434.908 5.072 30 40 IKEB Clc1ccc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1Cl 12570215 NGVWLDNEXCFHFR-MTDXEUNCSA-N 432.354 7.909 30 40 IKEB COc1cccc(/C=C/c2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 12952839 VMGHROQOQSBDBU-BUHFOSPRSA-N 432.454 6.150 30 40 IKEB CCCC(=O)Nc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1Cl 13942263 OZEHFIHVJFPIJR-ZVBGSRNCSA-N 430.129 5.951 30 40 IKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)C1 17097667 SIFVSQONMQLNAV-HNNXBMFYSA-N 431.586 5.538 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)cc2)cc1 18106879 WDWAQXJHXSWBCK-PPHZAIPVSA-N 426.516 5.683 30 40 IKEB C/N=C1\S/C(=C\c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C 24692044 BFYQUYGGYFENII-PNTLFUMMSA-N 447.604 5.684 30 40 IKEB N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCc1cccs1 32624514 KIEHKSGTPQOZGQ-UHFFFAOYSA-N 435.936 6.162 30 40 IKEB CCCCCCCCCCCC(=O)Oc1ccc(/N=C/c2ccc(SC)cc2)cc1 95101148 ROUIIBWXKYKQLA-SZXQPVLSSA-N 425.638 7.985 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)Sc2ccc(Cl)cc21 100072803 LEGFWWCGZGFWME-JXAXBCJLSA-N 449.988 6.519 30 40 IKEB CCOC(=O)CC1=CS/C(=N\c2cc(C(F)(F)F)ccc2Cl)N(C(C)(C)C)N1 100218535 XYLHOJGYGPBDSJ-KQWNVCNZSA-N 435.899 5.493 30 40 IKEB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCCCC#N 107133579 LIODNKKPJCSDTJ-YDZRNGNQSA-N 428.577 5.779 30 40 IKEB Cn1c(N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)nc2ccccc21 408665631 UMALMHYVGJDGLK-ZVHZXABRSA-N 435.325 5.361 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408876881 OOLHZDOQOCAFFN-ZDLGFXPLSA-N 443.843 5.539 30 40 IKEB CC/N=C1/S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C(=O)N1CC 408930499 XVBSNOWGYSUTON-PHSRYYMBSA-N 446.572 5.740 30 40 IKEB N#Cc1ccc(COc2ccccc2/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 408971628 KNHAEOBKUITUKT-STZFKDTASA-N 447.416 5.486 30 40 IKEB CC(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 408974854 HPACWVYZGOLZSZ-HHHXNRCGSA-N 440.543 7.181 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc(OCc4ccccc4)c3)c2C#N)C1 409082221 RUHOETUAJBJNTO-YJLDXCOUSA-N 428.601 7.100 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409199840 FCQRBYABUDGBCI-AFUMVMLFSA-N 428.757 6.995 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c[nH]c2ccc(Br)cc12 409301205 AGMIEEQAWUQASG-UHFFFAOYSA-N 449.352 5.570 30 40 IKEB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/N=C/c3ccc([N+](=O)[O-])s3)CC[C@H]12 1889136300 BKFIBDWKIPCPQA-NHURCTCFSA-N 441.597 5.755 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1 1235740 MEVSHNUCCHKUCQ-JTUXUYRKSA-N 446.528 5.521 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 1456568 NFVGQWMKSVJSOC-SBUREZEXSA-N 437.561 5.015 30 40 IKEB CCCCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21 2400091 KGVGUJONNPXLKB-UHFFFAOYSA-N 434.540 5.643 30 40 IKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(Br)cc3)ccc2C1=O 2433687 OLHOLJWABGMOOB-ODLFYWEKSA-N 427.319 6.014 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@H]12 4085632 IUHODRMRSHJGHQ-CFXNPWLASA-N 426.000 5.743 30 40 IKEB biogenic COc1cccc(/C=C/C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c1OC 8397602 BXESZVNFNSBGGR-WUKNDPDISA-N 437.499 5.406 30 40 IKEB N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c(-c2ccccc2)n1 8965907 QUBSQSUURKXMLG-AREMUKBSSA-N 433.515 5.230 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1 9046271 VXDXCRGRXUBKCO-HXUWFJFHSA-N 448.450 5.357 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccc(F)cc2)o1 12284806 VVMMJVNRTLPNFU-PKNBQFBNSA-N 437.264 7.004 30 40 IKEB CCCCOC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1Cl 13603149 HVYOIKYEKSBWKE-HMAPJEAMSA-N 438.932 6.886 30 40 IKEB Cc1ccc2c(c1)/C(=N/Nc1ncnc3sc4c(c13)CCCC4)C[C@@H](c1ccccc1)O2 16348142 XTDFSYOBMUEUFA-KKSLMDIGSA-N 440.572 6.219 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)nc2c1 17103136 KHHZDOALFTVXOL-ZKJHFGPLSA-N 439.342 7.771 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1C 59223845 GXZJOPPAXYVHSC-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 100161607 ZJDBJMOIQDHCPR-HXUWFJFHSA-N 437.422 5.592 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1OC 101011245 FORTUOQSLQETCC-SILNSSARSA-N 435.655 6.434 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1F 107561152 VOKPRINAZDACMG-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1ccccc1 109027494 CIMPYIHYAQXKTB-UHFFFAOYSA-N 447.589 5.294 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)CC(=O)C[C@H]5[C@@H]4CC[C@@H]3C2)cc1 118914903 IFADLLNZMJESQF-WYJOYAMGSA-N 444.637 5.681 30 40 IKEB CCN(CC)c1ccc(NN=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 238924262 RMWZSBQMRHAPTC-UHFFFAOYSA-N 443.532 5.102 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)S2)c1 260569346 PPVUUBRPDLUHFJ-ZGFXFUDXSA-N 440.012 6.262 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccs3)c2C(=O)NCc2ccco2)C1 409081775 QOXWUBJHOZISMH-MLGZCZAZSA-N 426.607 6.234 30 40 IKEB C=CCOc1c(I)cc(CNc2ccc(Cl)cc2)cc1OCC 409177034 BFLRJUXPNYSOTL-UHFFFAOYSA-N 443.712 5.520 30 40 IKEB C#CCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1OCC 409198985 GLFIIHZBWCSZRS-UHFFFAOYSA-N 439.147 5.234 30 40 IKEB O=C(O)COc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 409202610 SBAWBGPXVVIGFI-YDZHTSKRSA-N 426.266 5.455 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409210186 FJVJHJIWVKGTPU-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB Cc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)c(C)c1 409217980 RWNUYUDURZGYGR-CVKSISIWSA-N 441.443 6.816 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OC 409345252 KYWJTEVZRIYPLY-ZHZULCJRSA-N 441.574 5.237 30 40 IKEB FC(F)(F)CNc1cccc(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1 1083811698 FNJRWMGSXINPFU-UHFFFAOYSA-N 437.224 6.103 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OC 1531264850 LSBFOELYEKUNNM-FSJBWODESA-N 448.748 5.046 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 853747 WYHRPDDRWYVJSZ-HFZDXXHNSA-N 445.559 5.399 30 40 IKEB COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O 9296202 LJKOXWJRENCPTK-UCQKPKSFSA-N 442.496 5.387 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccc(F)cc1 12564694 AENRVMIGPUKJTE-SDNWHVSQSA-N 447.307 6.337 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1cccs1 15826297 HNFFZLOPTYTOMB-QFIPXVFZSA-N 434.586 6.266 30 40 IKEB O=C(/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2o1)c1ccc(Br)cc1 27026249 NTODHMBJEKENAQ-QGOAFFKASA-N 438.708 6.667 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 34392809 PMBSWZWCNKVWLV-KOKWGBNISA-N 442.684 7.139 30 40 IKEB biogenic,in-vitro CC(C)(C)c1ccc(C(=O)/C=C2\OCC(C)(C)N2C(=O)c2ccc(C(C)(C)C)cc2)cc1 36625122 BUZBDYFJYIYQEC-ULJHMMPZSA-N 433.592 6.257 30 40 IKEB C=CCN(C(=O)c1cc2sc(N(CC)CC)nc2s1)c1nc2c(s1)CCCC2 40155152 ZXLQZMIVFUAXGK-UHFFFAOYSA-N 432.640 5.372 30 40 IKEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc23)C1=O 51366853 HUHMPQIMRFPRLA-STXSBSPXSA-N 447.560 5.101 30 40 IKEB CCOc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O 59484219 LZLHWTZCZPKDAF-CVKSISIWSA-N 449.963 6.681 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2Cl)cc1 100283752 MTGIOMXUPRXOHO-UHFFFAOYSA-N 447.019 7.060 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=O)COc1c(C)cccc1C 102033131 ZSWMWQFBCJJIDK-UHFFFAOYSA-N 431.705 8.060 30 40 IKEB N=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[C@H]1c1nccs1 137151738 SSVHSOCGXZOHPM-BBBSXOBRSA-N 437.502 5.048 30 40 IKEB CCN(CC)c1ccc(/C=C/C(=O)c2c(C)nc3cc(C)ccc3c2-c2ccccc2)cc1 226818132 VLCHCRDVARLORP-XDJHFCHBSA-N 434.583 7.261 30 40 IKEB CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=Nc4ccc(C)cc4C)NC3=O)o2)c1 408723738 HOFXNOFNIPRLLW-HYARGMPZSA-N 446.528 5.632 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c(C)c1 408912346 PXKALZFLAMASIN-RNWNAKOZSA-N 428.557 6.369 30 40 IKEB COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 408934446 ATOABYCADJWBHR-HCHQZTDDSA-N 428.963 7.234 30 40 IKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409081918 OTCSDPRZDUZBGG-NKZWWHGNSA-N 447.560 6.998 30 40 IKEB CCn1c2ccccc2c2cc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)ccc21 409084110 WNDJGTBTVFWPNS-ZXAKHJNPSA-N 439.628 7.649 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1Cl 409094987 GQWWWNHWBFGUKU-KVSWJAHQSA-N 449.860 6.178 30 40 IKEB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)c1 409202714 UGIUXRVFYVVGOZ-PEOCZFDFSA-N 426.538 5.131 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)S/C1=N/c1ccc(F)cc1 409249474 UGPPPFWMMHNWIS-JBKGZACMSA-N 440.927 6.671 30 40 IKEB O=C(Nc1ccccc1C(F)(F)F)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F 3103342 DAFYLSREFNVIMO-UHFFFAOYSA-N 446.269 5.727 30 40 IKEB COc1cc(/C=C2\CC/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC 8444015 SIGQVFHJILUFKR-BGPOSVGRSA-N 449.330 5.858 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(CC)cc3)NC2=O)cc(Br)c1O 9720808 IZLHGUSAPDPEFD-GZTJUZNOSA-N 447.354 5.007 30 40 IKEB CCCC(=O)Oc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1OC 13564285 DTVXKEYDNONVRZ-AREMUKBSSA-N 441.527 6.118 30 40 IKEB CCOc1cc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1OC 59484323 ULPDIDLFOWURPP-WPWMEQJKSA-N 443.572 6.639 30 40 IKEB C[C@H](NC1(CNCc2cn(CCC#N)nc2-c2ccccc2)CCCC1)c1ccccc1 97002549 STFIJOPRPAEUEU-QFIPXVFZSA-N 427.596 5.217 30 40 IKEB CCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103526054 DXYUGBXNSCEROU-UHFFFAOYSA-N 430.439 8.936 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/C=C/c1ccccc1 104376703 HYPWGBILDBPVEG-HXBANFOFSA-N 429.718 7.631 30 40 IKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccccc3OC(=O)c3ccccc3)S2)c1 108991458 CVXVOHIHQSZIRX-JCMHNJIXSA-N 428.513 5.414 30 40 IKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Br)c1 408593770 REUVXDMKCFCFAM-WSDLNYQXSA-N 428.286 5.316 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1c(C)cccc1C 408914155 VTLMLIXCHRDPBB-SLHJDRLVSA-N 431.355 5.395 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409201151 LZZKNASYKAIPMG-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)S/C1=N/c1ccc(OC)cc1 409234779 MKIOCAQLTBIQBW-YCBMQGOFSA-N 448.500 5.277 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1ccc(F)cc1 409236091 QXLWWPKHYKIVJF-AOFZEWBLSA-N 446.547 6.337 30 40 IKEB O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 2358720 IOHCJJOILLWQBU-VROXFSQNSA-N 434.850 5.993 30 40 IKEB N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1N1CCN(c2ccccc2)CC1 2402724 CQZJHOZEBWHZAK-UHFFFAOYSA-N 436.515 5.119 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1 2639467 UKQMPXCZCBOSGS-UHFFFAOYSA-N 426.545 5.529 30 40 IKEB N#Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)cnc1Oc1ccc(Cl)cc1Cl 3134273 UWZWLBPLWZVJKR-UHFFFAOYSA-N 444.627 6.787 30 40 IKEB Nc1c(-c2ccc(F)cc2)cnn1-c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 8781448 TZBCZPYYCWLMSF-UHFFFAOYSA-N 441.310 5.241 30 40 IKEB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CO/N=C/c4ccc(Cl)cc4)nc3c12 9341177 PKHLUYCZHLGVNA-LUOAPIJWSA-N 448.889 5.028 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 9433835 YQOXTSAJEXQPOE-HSZRJFAPSA-N 447.462 5.016 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1 9433843 QTVOMAAFYBSOLN-JOCHJYFZSA-N 446.459 5.090 30 40 IKEB CCCC(=O)Oc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1OC 13564283 DTVXKEYDNONVRZ-SANMLTNESA-N 441.527 6.118 30 40 IKEB COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3Cl)C3=C(CC(C)(C)CC3=O)N1CC2 13591443 MYVLDOMCMVGUBS-LJQANCHMSA-N 449.978 5.997 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17100481 SSJIPWRKLLMHBW-SGANQWHYSA-N 436.540 5.995 30 40 IKEB N#Cc1c(NC(=O)CSc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 32699496 OHFWXKSFUFBXSO-UHFFFAOYSA-N 444.943 6.869 30 40 IKEB CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1 34609595 HTZDJVPKUOXQMG-XGRWYXQASA-N 442.684 7.139 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 39034569 NUDCZUBEFGYVSS-RSICVRGJSA-N 440.668 6.908 30 40 IKEB biogenic CCCCCCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 97953074 HUXCMQDAFPGDBM-UHFFFAOYSA-N 434.515 5.481 30 40 IKEB CCCCCCCCCCCCCCCCNC1=C(Cl)C(=O)c2ccccc2C1=O 100112403 MIOOSJHVLGHSBL-UHFFFAOYSA-N 432.048 7.587 30 40 IKEB CCCCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCCCC 101005474 LKNAVAQNRCASPT-UHFFFAOYSA-N 440.709 8.305 30 40 IKEB O=C1/C(=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N2CCC1CC2 104148978 RKAOPLBUCFQQNR-UQQQWYQISA-N 425.528 5.480 30 40 IKEB Cc1cc(Br)ccc1/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408543094 OTLDBYBEDSKHBR-MYKKPKGFSA-N 437.293 5.802 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c1C 408854744 APRXDNBKKOSTAH-PKAZHMFMSA-N 445.588 5.431 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)S2)cc1 408959960 BCDAJMYHKZKEIZ-OEAKJJBVSA-N 429.589 6.219 30 40 IKEB C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409078059 GRKQSOMXRGVSIQ-QNGOZBTKSA-N 449.337 6.393 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=Nc1ccccc1 409107021 OHONLPNRWZDRDZ-LXDPFISSSA-N 439.556 5.066 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 409217206 AKHMATXFHJQKQI-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccn2C)cc1C(C)C 409292554 HCJSMVZFHSABIP-UHFFFAOYSA-N 428.536 5.115 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCC 409340375 VYHDAIXGUNQRLU-MOSHPQCFSA-N 443.565 5.757 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 2049238452 WKXDFOKWTASGPK-QDIAUJCTSA-N 432.604 5.664 30 40 IKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1ccccc1Br 2330265 BBKJJLUHLPKHEC-UWVJOHFNSA-N 428.142 5.185 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1Cl 2409939 UWWVFZLSTZUCPA-UHFFFAOYSA-N 445.954 5.907 30 40 IKEB CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OC 6089737 UYDAAXFSHMLTJY-QLXKLKPCSA-N 446.572 6.135 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCCC3CCCCC3)n2)cc1 8445869 SPXMZEMPFALQKB-UHFFFAOYSA-N 442.628 7.748 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1cc2ccccc2o1 9260882 UQUGPFBQPXCJMS-UHFFFAOYSA-N 434.521 5.007 30 40 IKEB CCOC(=O)c1c(C)[nH]c(/C=C/C(=O)c2ccc(F)cc2)c1Cc1cccc(Cl)c1 11690114 KXLRDVMCMVELGY-VAWYXSNFSA-N 425.887 5.779 30 40 IKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCc1ccccc1 12660256 ZISVYIIZULIHFK-WKUBQNGMSA-N 449.635 6.454 30 40 IKEB biogenic C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 14117956 KDUOZWIYNIOEDH-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB Clc1ccc(Cl)c(/C=N/Nc2nc3nonc3nc2Nc2ccccc2Cl)c1 15162342 JQDDEBBGVITEJF-ODCIPOBUSA-N 434.674 5.163 30 40 IKEB C#CCOc1c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC 16228205 CXYGEHAMSGVISH-PKAZHMFMSA-N 444.556 5.650 30 40 IKEB COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2cccc(Cl)c2)n1 24747669 LSVATVNKVQALDL-CSKARUKUSA-N 426.925 5.694 30 40 IKEB C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N=C1O 26641848 FUCVNNBMKSFKFK-UYRXBGFRSA-N 442.518 5.110 30 40 IKEB C=C(C/C=C(\C)CCC=C(C)C)/C(C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N\O 33586942 KUNNXNOAUCFJRF-MPYNNIIOSA-N 440.584 5.812 30 40 IKEB biogenic CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1cc(OC)ccc1OC 33653482 NFYATLOUWOPJQH-QFEZKATASA-N 448.540 6.011 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)s1 34719486 DDPDKDJLQZUFOO-FDKCTOBMSA-N 439.537 5.236 30 40 IKEB COc1ccc([C@@]2(N3CCCCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 55196350 GCCKQEUVFUTUKS-PMERELPUSA-N 435.567 6.252 30 40 IKEB Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccc(Cl)cc2)c1 64874092 CJHFHLVPPIMLAI-QFIPXVFZSA-N 432.911 5.119 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@H]2c1ccco1 102001091 PKBRESAPLDCYQM-LOSJGSFVSA-N 440.499 5.765 30 40 IKEB Cc1ccc2c(c1)N[C@@H](c1cccc(/N=C/c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2 104214039 ZXGVFQHHLQGPAQ-VLQKAMOESA-N 448.353 7.064 30 40 IKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(Br)cc1 408787129 RWLLTKNLZFITRO-WPWMEQJKSA-N 435.409 7.655 30 40 IKEB C#CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408821470 HWIIQACRAJBCAK-BOPFTXTBSA-N 447.741 5.006 30 40 IKEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408933334 ARHBNPTXLRWLME-KSEXSDGBSA-N 427.844 5.113 30 40 IKEB CC[C@@H](C)n1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)c2ccccc21 408933672 JWTFDPLKMXXNDP-WFADBIMLSA-N 447.604 6.253 30 40 IKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 409203650 ZVAOYGDFMWTAIR-AWQFTUOYSA-N 431.555 6.323 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2ccccc2)cc1 409215624 CLXXHRCMUQXVOE-HYARGMPZSA-N 430.323 5.276 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 1825951 JDKYJLKYIKZOPF-BOPFTXTBSA-N 432.364 5.420 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 2258777 NMMJOEFPUHGEBF-UVQVWFEYSA-N 445.588 5.873 30 40 IKEB CCCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12 3368538 MSVGXOFQMYYDQE-UHFFFAOYSA-N 443.565 6.059 30 40 IKEB CCCCSC[C@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N 8442334 YGLCRZTWVACOAJ-QFIPXVFZSA-N 448.657 6.582 30 40 IKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 9041808 JSFKICSOFRAUDZ-LJQANCHMSA-N 432.526 5.449 30 40 IKEB N#C/C(=N\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 9404399 ITHDCUAFGNNRGN-JFLMPSFJSA-N 441.265 6.475 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(O)c1OCc1ccccc1C#N 16575397 NYJKCFGSOXJJNK-CIAFOILYSA-N 434.517 5.016 30 40 IKEB COc1ccc(Nc2c(Cc3ccc(C)cc3)c(C)c(C#N)c3nc4ccccc4n23)cc1 17246028 FEWQNNZTKKAKEP-UHFFFAOYSA-N 432.527 6.319 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 18085164 HQVCHZQXDGNTRX-QHCPKHFHSA-N 445.519 5.146 30 40 IKEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@H](c1cccs1)N1CCCCC1 35671633 CKKDBZCUEXCCPG-LJQANCHMSA-N 442.972 5.479 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100414658 VJVHKTKWGJZVPO-AHKZPQOWSA-N 431.535 6.396 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2cc(Cl)ccc2o1 107934511 PSWOQMINUHNDIF-UHFFFAOYSA-N 442.903 5.401 30 40 IKEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN1CCCCCC1 247840528 NRXSHTMQYCWAJB-BJTFNZNYSA-N 441.656 6.540 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)S2)c(C)c1 408723862 WRCGYRZRWNQPJT-OEAKJJBVSA-N 448.975 6.427 30 40 IKEB Cc1cc(Br)ccc1/N=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408847143 LTZONNWDXGFRDW-MYKKPKGFSA-N 445.744 6.267 30 40 IKEB CCc1nnc(S)n1/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 408875876 LWPHHCHIPZODAK-BHGWPJFGSA-N 444.391 5.630 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)cc1 408915155 XBSMGPDLMLVXCQ-NFEGURHZSA-N 437.521 5.546 30 40 IKEB COc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)N2C)cc1 408960430 FSCUKALAWRLGQO-RNUJJHFSSA-N 448.500 5.196 30 40 IKEB CCCCCCCCNC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408975723 MBDNYOSOLQRMSS-UHFFFAOYSA-N 437.547 5.970 30 40 IKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1cccc2ccccc12 409112788 BYKWVGPYHMZTIO-UHFFFAOYSA-N 437.583 7.330 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 409201243 KTRJEQASUXSJPR-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)cc2)cc1 409210168 IMMJDWDPYGHFJB-OGLMXYFKSA-N 440.499 6.344 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 409213300 UHEXDWKPFZENML-VULFUBBASA-N 442.328 6.625 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)S/C1=N/c1ccc(F)cc1 409250480 MFELKRPIFJFNBQ-DMDNQVQLSA-N 436.464 5.408 30 40 IKEB Cc1c(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cccc1C(=O)O 409380956 KJBADAIYUMPCGC-RPPGKUMJSA-N 440.858 5.254 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(F)c1)c1ccccc1 626568 VSLOTBYHIRQVRY-XMMPIXPASA-N 440.474 5.128 30 40 IKEB COc1ccc(/N=C2/S/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 2175088 GYWBLQYMNLXOHM-GOESLVMASA-N 448.519 5.647 30 40 IKEB CN(C)c1cccc2c1C(=O)C=C[C@]21CCc2ccc(N(C)C)c3c(N(C)C)ccc1c23 2294423 BUCXQKQWSZDMOG-MUUNZHRXSA-N 425.576 5.023 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 8741057 WJEPMNBLTRWJAB-OAQYLSRUSA-N 444.512 5.543 30 40 IKEB COc1ccc(Br)cc1/C=N/c1cc(-c2ccc(C)cc2)nn1-c1ccccc1 8951880 LVZRFFKSKJJDQO-WGOQTCKBSA-N 446.348 6.369 30 40 IKEB CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 9380303 YKUIWDOCWKLGNG-NGOKVRLYSA-N 440.562 7.103 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC(F)F)c(OC)c3)c12 12684756 LKUKKQSCWUCMMG-PKNBQFBNSA-N 437.446 5.290 30 40 IKEB NS(=O)(=O)c1ccc(-c2ccc(/C=N/Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 13127227 LFSBVJDTPMSTJJ-LSFURLLWSA-N 444.727 5.000 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2cc(OC)ccc21 28182620 AJCHROPVPRFUPO-ZRGSRPPYSA-N 443.474 6.004 30 40 IKEB C=CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Br)cc1 35352981 AMGLHPGHHMMVJH-UHFFFAOYSA-N 446.370 5.107 30 40 IKEB O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)/C1=C(O)/C=C/c1ccccc1 102668852 PGNHDAYBGSOACL-PQIDUSIDSA-N 449.428 5.888 30 40 IKEB C=CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(C)cc1 408593622 CEIUIWKXHJOBEL-UHFFFAOYSA-N 444.560 5.236 30 40 IKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC 408944010 TWXSEAHYFCZLPF-JCZPZKDPSA-N 436.555 6.837 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OC(C)C 408961669 DENNAAYWGDWLIX-XDHOZWIPSA-N 430.957 5.726 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)o1 408963215 XYVXEPQHFFVMNN-MTJSOVHGSA-N 432.501 5.462 30 40 IKEB CC(C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 408965729 LRYXZWLIUWKARS-VCHYOVAHSA-N 430.360 6.421 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)S2)cc1 408966229 KQZYTMCJORQYQV-JLPGSUDCSA-N 445.588 5.947 30 40 IKEB CC(C)N1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)C1=O 409023871 LKXCIYLWWCRHPO-YDZHTSKRSA-N 428.513 5.735 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 409045879 JHPJZTMJJIDOJK-JQAMDZJQSA-N 428.735 5.633 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 409217974 GKMGTQYCFYRTTC-STBIYBPSSA-N 429.947 7.394 30 40 IKEB COc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1Cl 409278021 CQIHWEGQVCPTKE-UHFFFAOYSA-N 429.863 5.354 30 40 IKEB C=CCOc1ccccc1C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 409284191 UGMKKEDMBIKUPZ-UHFFFAOYSA-N 449.432 5.529 30 40 IKEB COc1ccc2ccccc2c1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409284621 LXMMOUIINQZBPJ-UHFFFAOYSA-N 445.478 5.854 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O[C@H](C)CC)c1 409310040 PMZHAQVQVANPGS-OAHLLOKOSA-N 442.357 5.171 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2OC)SC1=S 409341498 BJDYOLKTYUOIGL-NHDPSOOVSA-N 425.619 5.550 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3cc(C)c(O)c(C)c3)SC2=Nc2ccccc2)cc1 409373964 WPNFTPDLLBNCPH-VRXUDNSFSA-N 444.556 5.822 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 2450046 ODJHPUIJXFZFIE-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(Nc4ccccc4)s3)c2C#N)C1 2626941 OXDHHQYCDWXIAB-LBPRGKRZSA-N 441.607 5.070 30 40 IKEB CSc1cc(-c2ccc(Cl)cc2)n(Cc2c(Cl)cccc2Cl)c(=O)c1C#N 3105322 GHPSWXYVLYTUKI-UHFFFAOYSA-N 435.763 6.117 30 40 IKEB Brc1ccc2nc(N/N=C/c3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 6446832 VXWVVGAYIPTIMX-ZMOGYAJESA-N 443.308 5.382 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 8425957 SPICJYJHSFWNHN-ZLNRFVROSA-N 441.943 5.686 30 40 IKEB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2 9530891 PUNJQDNEQDEVMZ-LHSJRXKWSA-N 425.315 6.248 30 40 IKEB CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)c(C)c3)N(CC)C2=O)cc1 9846348 UGMUOQCCZQXROV-TYGLDRHGSA-N 439.581 5.072 30 40 IKEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1ccc2ccccc2c1 12275638 FYVHQQBNYGKXPF-QYQHSDTDSA-N 425.517 5.462 30 40 IKEB O/N=C(/CCC/C(=N/O)c1ccc(Br)cc1)c1ccc(Br)cc1 13635703 DVJGYTAHCFTURG-ISPAOBMBSA-N 440.135 5.439 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(C2CCCCC2)cc1 15912254 QFICQXIMVRKLIZ-ISLYRVAYSA-N 433.555 6.878 30 40 IKEB Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 16048041 PSKKVIHYKBMMJI-UHFFFAOYSA-N 433.602 5.217 30 40 IKEB CCOC(=O)Nc1sc(N/N=C/c2ccc(OC)c(OC)c2)nc1-c1ccc(C)cc1 16806342 GCYUBPBECAKGEB-YDZHTSKRSA-N 440.525 5.150 30 40 IKEB CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 18195210 GHICSDMMNMNMKW-HXUWFJFHSA-N 431.561 5.088 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)o1 59426836 SMHWPACAFLPRGV-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S/C1=N/c1ccccc1 100280127 BAZHUGCCVDXIAJ-REHDBGDWSA-N 437.952 5.381 30 40 IKEB COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Sc2cccc3cccnc23)c(OC)c1 100332834 XOJSELLBTIOQOY-CVKSISIWSA-N 445.500 6.062 30 40 IKEB O=C1C(=O)N(c2ccccn2)[C@H](c2cccc(Cl)c2)/C1=C(\O)c1ccc(Cl)cc1 102528535 ZWAAUTXRPQCQGQ-LFVOPCPISA-N 425.271 5.015 30 40 IKEB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 204609488 UKAIYBGRLWQHDQ-WWIZHINUSA-N 440.712 7.348 30 40 IKEB biogenic,in-vitro COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408622517 PTFLGZKZEPURAT-JXMROGBWSA-N 447.745 7.131 30 40 IKEB CCn1c(N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)nc2ccccc21 408692455 MVJLPJSOEBFZJT-VULFUBBASA-N 439.346 6.388 30 40 IKEB COc1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1Cl 408780368 BHNNAKOBYZWGER-WNIMSWJZSA-N 448.975 6.021 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)N(Cc3ccccc3)C3=C2C(=O)CCC3)ccc1O 408899350 TYNAFUPRRQAWGB-UHFFFAOYSA-N 429.516 5.014 30 40 IKEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCc1ccccc1 408901622 GWMIYTCAPPCQOA-KOEQRZSOSA-N 438.527 5.809 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)c(C)c1 409008687 ZXRDLMARXCOGAA-OYKKKHCWSA-N 429.589 6.219 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409202641 SJHWAAVHLPJRCD-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)c1 409209690 HURNRNOFDGTLMJ-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409209858 HXLHIRRFWSSZGF-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB CC[C@H](C)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409377644 JPSJQUMAFCFDSN-PYWPZVNCSA-N 438.930 6.761 30 40 IKEB CC[C@@H](C)Oc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409403451 LZADNALUYMXDJB-HXUWFJFHSA-N 447.538 6.276 30 40 IKEB C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1C1CCCCC1 14069088 RPGIOVUKWCYEEQ-GOSISDBHSA-N 434.609 5.635 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 17094642 BFTNCODIEGWAOI-AVRWGWEMSA-N 425.919 6.105 30 40 IKEB COc1ccc(/C=N/c2nc3ccccc3n2CCN2CCCCC2)c2c(OC)cccc12 32600690 KKRFLVNIPPJGCP-TURZUDJPSA-N 442.563 5.443 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Nc4ccccc4)cc3)c2C)cc1 408785240 XJMLGQSIQJOCLS-VUTHCHCSSA-N 437.543 6.765 30 40 IKEB CCOc1cc(/C=N\Nc2ccccn2)c(Br)cc1OCc1ccc(F)cc1 408856251 JNESUBBQWOPIIB-MXAYSNPKSA-N 444.304 5.407 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)S2)cc1 408889392 FZMQWIYAYPMOBK-JCMHNJIXSA-N 428.513 5.414 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O 408913722 RJKFLMLABDAZIO-RRJMXWIWSA-N 428.985 6.307 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 408930486 XQVIWNWLIKWCQJ-VLYZUMCXSA-N 441.984 5.660 30 40 IKEB N#Cc1c(/C=C\c2c3ccccc3cc3ccccc23)c(C(=O)O)nn(-c2ccccc2)c1=O 409197007 ZNTPAMSJHTYCQF-PFONDFGASA-N 443.462 5.279 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 2061000121 MQYXUWHLBZFQQO-AOIYLYBPSA-N 426.729 8.025 30 40 IKEB Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccccc3)C3=C2c2ccccc2C3=O)cc1 3671310 SKIJVPGAWKSSJO-SANMLTNESA-N 445.562 6.850 30 40 IKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)N1 6232535 OVYRVZAGYCMZGR-XXBNENTESA-N 428.985 5.703 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1 8821021 ILFVMJCWCSUBJU-XDHOZWIPSA-N 439.334 5.909 30 40 IKEB COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 8985409 JTPGPCPTIZVXAF-NRFANRHFSA-N 439.552 5.526 30 40 IKEB Cc1c(C)n(C2CCCCC2)c2ncn3nc(CO/N=C/c4ccccc4Cl)nc3c12 9184447 DMWPWSLVBIUDIU-RPPGKUMJSA-N 436.947 5.405 30 40 IKEB COc1ccc(-c2oc(NC(=O)Cc3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 9434550 BQNRXKCEVAXBMZ-UHFFFAOYSA-N 438.483 5.684 30 40 IKEB Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc3ccccc3c2)n(Cc2ccco2)c1C 12984132 JNYNKROVIUZLNI-SFHVURJKSA-N 426.520 5.060 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1cccs1 15826294 HNFFZLOPTYTOMB-JOCHJYFZSA-N 434.586 6.266 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NCc1cccs1 21722014 OYIXWMWGAKURDO-XMMPIXPASA-N 449.601 5.106 30 40 IKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)cc1C 33027189 WNRBFUYTCMEEEV-UHFFFAOYSA-N 425.488 5.565 30 40 IKEB COc1c2c(cc3c1[C@H](CC(=O)/C(C)=C/[C@@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 61992795 SSFGQCRZUFDDEM-NPJZFRQBSA-N 425.569 5.241 30 40 IKEB biogenic CCCCCCCCCCCCCCCCNc1cc(C)c(C#N)c2nc3ccccc3n12 96021522 VQQZTFUBNMNCQU-UHFFFAOYSA-N 446.683 8.561 30 40 IKEB CCN1/C(=C2/S/C(=N\c3ccccc3)N(c3cccc(C)c3)C2=O)Sc2ccccc21 100201952 MWVVIEWHBGCKQJ-SLJQUXCSSA-N 443.597 6.564 30 40 IKEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2cccc(C)c2)ccc1O 102160502 BFHOGWNXRVFFCO-DEOSSOPVSA-N 443.547 5.404 30 40 IKEB N=C1S/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(=O)[C@@H]1c1nccs1 108206611 FJXLOMPOIPDVBT-PLXYEHFVSA-N 442.565 6.293 30 40 IKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 223522546 XLELGTSTCHDUPB-XVLPZJLPSA-N 437.996 6.206 30 40 IKEB N#Cc1c(Cc2ccc(Br)cc2)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846942 YGVXFEHEKOIFTB-UHFFFAOYSA-N 436.140 5.045 30 40 IKEB C=CCn1c(C)c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 408813403 PLLZFIIANBQZPN-DSTPSKMHSA-N 449.579 6.944 30 40 IKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)S1 408860685 BSCVXCYLOSWHPM-JMIUGGIZSA-N 438.940 5.043 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3)S2)cc1 408953915 QPQBVAKFTCQYQR-XQNSMLJCSA-N 430.529 5.556 30 40 IKEB COc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cl 409045586 ZMRNHUMVRBUZFE-UHFFFAOYSA-N 449.374 6.402 30 40 IKEB C=CCOc1c(I)cc(CNc2ccccc2CC)cc1OCC 409118533 RAYKYYFVNFQAKZ-UHFFFAOYSA-N 437.321 5.429 30 40 IKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3OC(F)F)sc3c2CCCC3)cc1 409176242 ZDUGVHCNLFRLTK-MZJWZYIUSA-N 440.515 6.540 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409211315 LLWYZNUEGRJENW-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC 409232924 SYRKRCQMBNRUBJ-KZWMQRDFSA-N 444.915 5.124 30 40 IKEB CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409292385 DWSUXHGIJKCSNV-KRWDZBQOSA-N 448.523 5.412 30 40 IKEB Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@H]12 858988 PPJFANUQDXSZTQ-NFSQQYCZSA-N 426.516 5.656 30 40 IKEB CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1cc(Br)ccc1O 1926054 GURAWJZVZKRMFP-SSDVNMTOSA-N 430.323 5.811 30 40 IKEB C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3 2252402 QVEBVGKCKZFRHX-GOSISDBHSA-N 426.607 5.076 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3 2318226 XSSHVKXHRXHXKQ-QGZVFWFLSA-N 438.662 6.575 30 40 IKEB CC(C)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 3666420 NTITWBAYXKMOTE-FUQOYWQNSA-N 442.584 6.526 30 40 IKEB CCCCCCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 8439671 RQAWSOYWLYUMKE-UHFFFAOYSA-N 441.681 7.237 30 40 IKEB N=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)SCc1ccccc1Cl 8446365 KLMQZKAIVVHJGY-QLYXXIJNSA-N 434.952 5.049 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 8820963 SITADWMOMPSJOV-YBFXNURJSA-N 429.328 6.453 30 40 IKEB Cc1cccc(C)c1N/C(S)=C(/C(=O)c1cc(Cl)ccc1Cl)[n+]1ccccc1 9403868 VZRABMVJRMXQDM-UHFFFAOYSA-O 430.380 5.949 30 40 IKEB CC(C)(C)c1ccc(-c2nnc(S)n2/N=C\c2ccc(OCc3ccccc3)cc2)cc1 9762902 LGYHSGZFCNGXQQ-PKAZHMFMSA-N 442.588 5.993 30 40 IKEB Clc1ccc(CN/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 10118888 DAVCISZVFHLCBP-MUFRIFMGSA-N 435.354 6.849 30 40 IKEB O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1)c1ccco1 16450182 RHJPQVWMKBNVFP-JVWAILMASA-N 430.891 6.232 30 40 IKEB O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1cccc2ccccc12 16526195 YYHDSVDPEZBUNW-CMDGGOBGSA-N 429.155 7.337 30 40 IKEB COc1ccc([C@@H](CNc2oc(-c3cccc4ccccc34)nc2C#N)N(C)C)cc1OC 27991318 CWQXINFHQGWSLK-JOCHJYFZSA-N 442.519 5.098 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)s1 33533462 QQKAWCBLQQWTDL-JGOBEUKDSA-N 426.542 5.065 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1OC 100183018 QOODNLLNLFMICV-CFEZCKOSSA-N 444.556 6.293 30 40 IKEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 102484833 YNCMWBGODJXPGF-HOGKFDNTSA-N 448.906 5.150 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([S+](C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118933469 QQEZWWWECVMYAM-AXYOXNHISA-N 431.794 8.274 30 40 IKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 208247166 VWVLDCHQXCLOTH-VTGBELTLSA-N 431.880 5.324 30 40 IKEB O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1 408624487 UQLVNJGBNGIHAA-XYOKQWHBSA-N 438.277 5.832 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)c1C 408755515 QOBPKMXXFPAEBH-UUYOSTAYSA-N 435.980 6.256 30 40 IKEB O=C1CCCC2=C1C(c1cn(Cc3ccccc3F)c3ccccc13)C1=C(CCCC1=O)O2 408891848 CTBUPMLIRZOAHO-UHFFFAOYSA-N 441.502 5.957 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 408915731 ZQROVUXNQOKVOO-HUOZHCEOSA-N 443.528 6.329 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC 408933464 ADFRWNKVJFMONB-BBHADXTRSA-N 448.566 6.674 30 40 IKEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 408987010 UKDPXRFVYMHUNQ-HZHRSRAPSA-N 446.934 5.625 30 40 IKEB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409075503 WLMPVPUUZRYKDT-AFUMVMLFSA-N 443.419 5.076 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1Cl 409200740 ITUHLUIQXZVRQV-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1 409201497 NUAURXSZZSYEBO-RDRPBHBLSA-N 443.930 7.471 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409209276 FBRQBRFHMRDJSJ-FOKLQQMPSA-N 446.246 6.661 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409210017 JDZQWTKYCCXPOV-KKMKTNMSSA-N 448.777 7.602 30 40 IKEB N#Cc1c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)sc2c1C1CCN2CC1 409218106 SPZKBLBSDAQUKJ-BRJLIKDPSA-N 431.477 5.163 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O[C@@H](C)CC)c1 409310039 PMZHAQVQVANPGS-HNNXBMFYSA-N 442.357 5.171 30 40 IKEB O=C(c1ccc(Br)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243250 ZRQGNIVFPVGJGA-UHFFFAOYSA-N 437.483 5.753 30 40 IKEB C=C(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@@H](C(C)C)O[C@H]1c1cccc(F)c1OCC(=O)O 2037879371 SAQYLQYIWKGWPS-JVODISISSA-N 446.946 6.405 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O 2188165 WOBPYWLILPGBNJ-GZAOZUBMSA-N 430.529 5.826 30 40 IKEB N#CCSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1 2634150 XNUQTMGWQYNWPH-UHFFFAOYSA-N 429.254 5.876 30 40 IKEB Cc1ccc(-c2csc3ncnc(N/N=C/c4cc(Br)ccc4O)c23)cc1 8387050 BIADEPGWLZNDBS-PGGKNCGUSA-N 439.338 5.581 30 40 IKEB CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC 8435284 FAEMTEILVLJIER-UHFFFAOYSA-N 436.666 5.627 30 40 IKEB CCOc1cc2c3c(c1)/C(=N\c1ccc(Oc4ccccc4)cc1)C(=O)N3C(C)(C)C=C2C 8771115 KQBBOLGGRBDANO-XLVZBRSZSA-N 438.527 6.541 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 9178595 PRRJUAPXNLMRCP-IBGZPJMESA-N 434.448 5.120 30 40 IKEB CCCCC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 17044819 MWCIXJJFNQCNSU-LVWGJNHUSA-N 432.480 6.567 30 40 IKEB COc1ccc(/N=C(/N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1 17186158 STMWIRUKXDCINS-VHXPQNKSSA-N 432.549 5.334 30 40 IKEB COc1ccc([C@@H](CNc2oc(-c3cccc4ccccc34)nc2C#N)N2CCCC2)cc1 27991986 FFPMYJGPRCROPJ-RUZDIDTESA-N 438.531 5.624 30 40 IKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc(Nc2cc(C)ccc2C)c1=O 28527617 ASPWRKIPHUPURR-UHFFFAOYSA-N 434.609 5.775 30 40 IKEB N#CC1(C#N)C(C#N)(C#N)[C@]2(c3ccccc3)O[C@]1(c1ccccc1)c1cc3ccccc3cc12 102953481 QJJKHZQOOVMKJU-LOYHVIPDSA-N 448.485 5.438 30 40 IKEB COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC 408549789 ZBQJPGACCQXOMA-JTUXUYRKSA-N 430.529 5.821 30 40 IKEB Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 408737672 UJPJXHQLGJLPSI-VULFUBBASA-N 447.947 6.437 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)cc1C 408775045 XXGFTMOGVCWNHM-NDENLUEZSA-N 446.488 5.291 30 40 IKEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 408914813 WHANPFPEUWAUPR-UINIZAEWSA-N 428.557 6.511 30 40 IKEB CC/N=C1/S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1CC 408932816 ZKPUQJXOXZUKLP-ONNNIBOUSA-N 435.376 5.885 30 40 IKEB C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408945994 XWATYTIRQAQUED-DDEBHVINSA-N 440.974 7.482 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(OC)cc3)C(=O)N2CC)cc1 408951032 HKFAPDPZTQHWLM-CMEWOCMCSA-N 447.560 5.509 30 40 IKEB Cc1cccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)c1C 409202081 OQLJLDHDEXDHHH-CVKSISIWSA-N 441.443 6.816 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409213403 UFOJABSNUCBPKB-UVHMKAGCSA-N 444.409 6.782 30 40 IKEB CC[C@@H](C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409295073 CIGOHMXHJCRICR-QGZVFWFLSA-N 448.523 5.412 30 40 IKEB C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)N(C(=O)CC)c1ccccc1-2 2114349 JXBQPARWZJTDRG-NRFANRHFSA-N 438.940 5.304 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N\c3cc(Cl)ccc3C)NC2=O)cc(OCC)c1O 2155962 DOXZLRUSQVIDQR-YBFXNURJSA-N 428.941 5.373 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c(C)c1 8781001 GJQAKTFKLDGHOQ-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820961 KAFTYGRWUCDGAC-HYARGMPZSA-N 430.916 6.645 30 40 IKEB O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O)Nc1ccccc1 9846040 PWLSRAYGEUZYSE-WNMDNWPKSA-N 443.572 5.280 30 40 IKEB N#Cc1cccc(COc2ccc3ccccc3c2/C=N/NCc2ccc(Cl)cc2)c1 10119146 PEOOEXJWLZPBCF-OCSSWDANSA-N 425.919 6.068 30 40 IKEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 12564656 OZAUUDIHUJHKIL-YCPBAFNGSA-N 431.220 6.091 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC)c(OC(F)F)c3)c12 12681217 DMEYBTALIQWGEF-PKNBQFBNSA-N 437.446 5.290 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4s3)c2C#N)C1 14067162 GTWRDYRVVYGAOI-ZDUSSCGKSA-N 441.647 6.111 30 40 IKEB Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2cccc(Cl)c2)c1 44858677 GYQYCXPGEUMNCU-JOCHJYFZSA-N 432.911 5.119 30 40 IKEB COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1 59249161 JEOXETBEGNEULT-ZMOGYAJESA-N 440.293 5.486 30 40 IKEB CCCCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 97954680 ZIAWBIRTRVUACD-XMMPIXPASA-N 445.651 7.396 30 40 IKEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](OC(=O)CCN3CCCCC3)CC[C@H]12 254402807 LDRSZLORBJFCJZ-KCKNQCKASA-N 427.629 5.306 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC(C)(C)C)CC1 257257003 KNRIHNUDPDVAHR-UHFFFAOYSA-N 438.637 5.305 30 40 IKEB Clc1ccc(-c2nc(/N=C/c3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 408723613 XXPOGWWQRSINPT-LGJNPRDNSA-N 443.786 8.188 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)S2)cc1 408759313 CAYIEFOAOVWLFA-STZFKDTASA-N 448.931 5.759 30 40 IKEB O=C1C(=Cc2ccc(-c3ccc(I)cc3)o2)C(=O)c2ccccc21 408908801 DFOKZBKJFMEEMK-UHFFFAOYSA-N 426.209 5.014 30 40 IKEB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408910233 GKDOPBQDURZSBQ-ZSICUCBDSA-N 426.538 5.035 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 409202912 UGBSRBPRJXLSRN-LQKURTRISA-N 431.919 6.840 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409214374 XDWOOYMJQFRXDH-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB CC(C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409285808 XNLBUGAUDDSKTD-UHFFFAOYSA-N 434.496 5.022 30 40 IKEB CC(C)[C@@H]1CC(CC/N=C/c2ccc(N(C)C)cc2)(c2ccc(F)cc2)C[C@@H](C(C)C)O1 524732368 WDVYMEQCQYFSKG-BIJPFLEYSA-N 438.631 6.498 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CCC(=O)O)ccc1OCC 585263965 RAPAMAFYRCYYIJ-LIYOMKHYSA-N 442.983 6.582 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C#N)C1 2085380 KOSXHTIJZPIAFL-ZDUSSCGKSA-N 431.399 6.176 30 40 IKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1 3208210 DCSTYWSZBHDJLW-GHRZAKMRSA-N 448.276 6.581 30 40 IKEB CCCC/N=C1\S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CCCC 8821667 XSTYDVLLNAFZAJ-OCIPIQTLSA-N 427.526 5.727 30 40 IKEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 9261473 AFXVEHLHXHVVBO-RHSMWYFYSA-N 444.988 5.318 30 40 IKEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 9380687 JNEQRSUNGPWPNL-QFIPXVFZSA-N 433.891 5.440 30 40 IKEB Cc1sc(N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)nc1-c1ccccc1 9668264 AINQIZUMLZNOCJ-LFVJCYFKSA-N 449.557 5.332 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC 18244439 PAFKFZIOUCPJCQ-RUZDIDTESA-N 434.536 5.257 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccc(F)cc1 20503279 WELQRRHHIWMLIL-VWLOTQADSA-N 431.467 5.038 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 59105708 MSXJONYADHFJMX-ZDLGFXPLSA-N 443.843 5.539 30 40 IKEB Cc1cccc(C)c1/N=C1\c2ccccc2C2=NC(=O)N[C@](c3ccccc3)(C(F)(F)F)N21 96941952 PDPNBRKRUUTBAI-VSMOEHSHSA-N 448.448 5.582 30 40 IKEB CC[C@H]1CS/C(=N/c2ccccc2C(F)(F)F)N1Cc1ccc(Cl)cc1Cl 105338666 ODDXNUYEEPETJJ-GYQDZVIGSA-N 433.326 7.027 30 40 IKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408847685 RBYOEIJEWIJACO-ROTLSHHCSA-N 444.318 6.543 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccccc1 408906464 BQNOGRZBXVWSHP-RRFBTYMUSA-N 436.939 6.844 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)SC1=S 409030434 DFYKTJQLFHJPTH-JMIUGGIZSA-N 442.993 5.648 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)c([N+](=O)[O-])cc1OCc1ccccc1 409212871 RHISDCPWAALOOR-YDZHTSKRSA-N 434.477 5.238 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 409213001 SYXPELRCUGEKFK-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3C)cc2Br)cc1 409216760 LGMGJHDWQAXCMT-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(Br)cc2)cc1 3088543 QLEPFYGYXLMVNU-JVWAILMASA-N 444.328 6.881 30 40 IKEB COc1ccc(/C=C2\C(=O)c3c(Oc4ccc(OC)cc4)cccc3[C@@H]2c2ccccc2)cc1 3133475 KMGJEOONQRBYEI-QYTZQGLJSA-N 448.518 6.908 30 40 IKEB CC(=O)[C@]12O[C@](C)(c3ccco3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 3644088 PDWGBWJIJZYLQQ-FWSWDPMFSA-N 438.564 5.337 30 40 IKEB biogenic Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)c(C)c1 8857467 SFNDZTQVGMBKMF-UHFFFAOYSA-N 426.463 6.231 30 40 IKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC 9129834 OJTUKUXDZSBQNV-RUZDIDTESA-N 448.563 5.503 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@@H]3c2ccc(Cl)cc2)cc1 10035302 XUAGXEOBLFQHEV-WXTAPIANSA-N 447.987 7.008 30 40 IKEB C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc2ccccc21 11650704 QIRLOZDGVOFQTL-LJQANCHMSA-N 448.573 5.347 30 40 IKEB COc1cc(OC)c([C@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC 13567786 XNHMKGLIGXMGOB-GOSISDBHSA-N 449.547 5.185 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 13567790 FCBBOMGSRKHLDF-LJQANCHMSA-N 449.547 5.185 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1C 14133275 DCQZGIMBRHMBIS-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CC(C)Oc1ccc2c(c1)O[C@@](c1ccccc1)(C(F)(F)F)N/C2=N\c1ccccc1 15906392 KFHRCXTYVDIAPE-QHCPKHFHSA-N 426.438 5.949 30 40 IKEB CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1 16729034 DSWRPZHBKWQWRU-UHFFFAOYSA-N 432.442 6.469 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17100483 SSJIPWRKLLMHBW-MQNRADLISA-N 436.540 5.995 30 40 IKEB CCN(CC)c1ccc(/C=C2/C[N+](C)(C)C/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 17196993 YMIJXUMZUAPUNM-GAHATOAQSA-N 446.659 5.505 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 19228273 QBOSISZOBXFSHM-DEOSSOPVSA-N 431.532 5.043 30 40 IKEB N#Cc1sc(-c2cccc(Cl)c2)cc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 84579386 NAFHPBJNPRFUPK-MRXNPFEDSA-N 435.936 5.470 30 40 IKEB CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)cc1C(F)(F)C(F)(F)C(F)(F)F 95708100 OYZWCKRGVSEGTK-UHFFFAOYSA-N 446.138 5.122 30 40 IKEB CCCCCCCCCCCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1O 100023727 FRYZAPGXJAWDCH-UHFFFAOYSA-N 429.601 7.227 30 40 IKEB in-vitro O=C1C(=O)N(c2ccccn2)[C@H](c2cccc(Oc3ccccc3)c2)/C1=C(\O)c1ccccc1 102879550 QBAIHOWWWJMBPH-NPJIAGGLSA-N 448.478 5.500 30 40 IKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226339813 LWIQOVWBCDZXRL-UHFFFAOYSA-N 434.088 5.817 30 40 IKEB Clc1ccc(/N=C\c2cc(Br)c(I)o2)cc1Cl 408950447 FCZVDNHBOQCWQK-BNCCVWRVSA-N 444.881 5.704 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O 409058176 IVSGRGBAQVQDSC-XKZIYDEJSA-N 446.915 6.032 30 40 IKEB CC(C)Oc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(C)C1=O 409059122 PNDGCHWQNZTROF-UXTWZOPHSA-N 430.913 5.059 30 40 IKEB CCOC(=O)c1c(/N=C\c2cc(C)n(-c3cccc(C)c3C)c2C)sc2c1CCCC2 409062942 DFVNRQSXWMRFOK-DICXZTSXSA-N 434.605 6.579 30 40 IKEB CCN1C(=O)/C(=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c2ccccc21 409140567 JEKRIYLDASFURI-WEMUOSSPSA-N 443.572 5.675 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1Br 409203487 XKJDBHCKEKEUCZ-SRZZPIQSSA-N 425.164 6.368 30 40 IKEB Cc1cc(/C=N\c2cccc(I)c2)c(C)n1-c1ccccc1C(=O)O 409215975 CQPCTJDOCGXNMR-UUYOSTAYSA-N 444.272 5.148 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)S1 409237331 ICHIZLKIBCQTNM-XDHOZWIPSA-N 438.896 5.239 30 40 IKEB C#CCn1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc21 409300335 YMUMYPAYXUNOLC-UHFFFAOYSA-N 442.478 5.280 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O 409326819 DWXGSKHDTGWXAM-PDGQHHTCSA-N 446.391 5.728 30 40 IKEB CC(C)Cc1ccc(CN2CCCC[C@@H]2c2csc(Nc3ccc(C#N)nc3)n2)s1 585295061 YTZWJYKCTCEADQ-JOCHJYFZSA-N 437.638 6.141 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)cc(C)cc1C 1531326748 PMBGPZNHCNFEFA-REMUQMNCSA-N 426.358 5.480 30 40 IKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccc(Cl)c3Cl)C[C@@H]12 1889139268 ANTLLZHQDMIOLB-DTNWGXIESA-N 447.446 6.959 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2ccc(F)cc2)cc1 1457559 SZKORZTXWSYTIG-WINIVTDRSA-N 428.507 6.122 30 40 IKEB Cc1ccc(C2=C(c3ccc(C)cc3)C(c3ccc(C)cc3)=C(c3ccc(C)cc3)C2=O)cc1 1628720 ZSUDSCKIBFDILN-UHFFFAOYSA-N 440.586 8.025 30 40 IKEB Cc1nn(C)c(Cl)c1/C=N/OC(=O)Nc1c(-c2c(Cl)cccc2Cl)noc1C 2577769 RVJYYYRKJGEHRF-QPSGOUHRSA-N 442.690 5.235 30 40 IKEB N#Cc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 3140692 BCTIUWOKHQYPML-UHFFFAOYSA-N 428.289 6.237 30 40 IKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl 8831560 FOZAWMZPVJQGBW-CQSZACIVSA-N 446.041 5.859 30 40 IKEB COc1ccccc1/C=C/C=C(/C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2o1 9050974 CKAOPUXNKXQXMS-BGJMBHFQSA-N 439.511 6.603 30 40 IKEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2[C@H]1c1ccccc1 9348035 FMFNUCYYKLIUEQ-QHCPKHFHSA-N 448.482 5.037 30 40 IKEB C=CCOc1ccccc1CN(Cc1cc(=O)n2ccsc2n1)c1ccc(C)c(C)c1 10547180 SKIZZHJTMCWWGJ-UHFFFAOYSA-N 431.561 5.144 30 40 IKEB CSCC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 12555255 YJOQTSVEXFWMEO-CQSZACIVSA-N 438.622 5.696 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1 13568520 SYCGTWZEFYLLFC-UTKZUKDTSA-N 433.548 5.006 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 13571214 WDYAIVDJJLWZEM-FQEVSTJZSA-N 446.553 5.703 30 40 IKEB O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2cccc(C(F)(F)F)c2)c1O 16450169 HQLNLBGKDXIETJ-RPPGKUMJSA-N 434.801 6.314 30 40 IKEB Oc1ccccc1/C=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 20033368 BRGJIRDEULZHNL-RVLHIEJWSA-N 444.578 7.020 30 40 IKEB CN(C)c1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 32984234 YJBDGPDFUMMGMB-UHFFFAOYSA-N 438.936 5.056 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 59034387 REXOCEMJDCCSSH-AFUMVMLFSA-N 437.952 6.373 30 40 IKEB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 87493104 XQIVDOSRZQSWFL-POQBZVGCSA-N 438.696 7.556 30 40 IKEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102590013 ABRYUGDREVOOIP-LFVOPCPISA-N 428.271 5.208 30 40 IKEB CCCCCCCCCC[N+](C)(C)CC(O)C[N+](C)(C)CCCCCCCCCC 104205406 JVEMKGPWQCJVFZ-UHFFFAOYSA-N 428.790 6.782 30 40 IKEB CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118918728 LCHQKKCWNVVBHJ-ZAXFPZCXSA-N 441.656 5.552 30 40 IKEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2cccc(Br)c2)C1=O 408526808 CLDTXPUAYUFWFS-PDGQHHTCSA-N 430.323 5.250 30 40 IKEB C=CCn1c(C)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 408809703 HPLOYKHLDRQARP-SSEXGKCCSA-N 446.594 7.598 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408914792 XSKBYCKJUVVCKE-BQLTUIPISA-N 445.500 5.666 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC 408940317 NUUAYLBDFIVHFW-BRGLFVENSA-N 434.539 6.284 30 40 IKEB Cc1cccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C 409210402 JMZIEZWKZFOOKP-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccccc1F 409215558 BFMPAFBTVAHWFV-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB Cc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 409216732 KXVFJAQEDCZNGV-RDRPBHBLSA-N 427.931 7.770 30 40 IKEB C=CCOc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)cc1OC 409400998 BMTRCAVVRFIOLF-UHFFFAOYSA-N 445.906 5.173 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 1437503 FZWFXQJDLNGVJB-NFQMXDRXSA-N 439.515 6.191 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4F)nc3c2)c1O 2067800 SWRWOJLWODZCJT-PGGKNCGUSA-N 429.766 5.791 30 40 IKEB CCc1c(C)sc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)c1C#N 2287148 QQJMWZAWFMQUCY-UHFFFAOYSA-N 435.393 5.153 30 40 IKEB C=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 2954942 KDMBWUVJIVBDCL-JCMHNJIXSA-N 434.586 5.280 30 40 IKEB N#C[C@@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 3366234 KRVHDTCPMVGTAD-OFNKIYASSA-N 440.528 5.007 30 40 IKEB COc1cccc([C@H](C/N=C/c2cc(C)n(C3CC3)c2C)c2c[nH]c3ccccc23)c1OC 8718758 DODKOPWPASHMAM-HQYUJTHISA-N 441.575 6.189 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1F)c1ccccc1 9240820 RFTARDFVGPVSQP-FQEVSTJZSA-N 448.450 5.357 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCCc1ccccc1 9892551 NXWHGINPEJOMID-QFIPXVFZSA-N 437.370 6.919 30 40 IKEB CCOC(=O)c1sc(/N=C/c2cc(Cl)cc(Cl)c2O)c(C(=O)OCC)c1C 9934825 NFNFTBFWKYCEBV-ODCIPOBUSA-N 430.309 5.173 30 40 IKEB CCc1ccc(OCCCOc2c(/C=N/Nc3ccc([N+](=O)[O-])cc3)cccc2OC)cc1 13940710 BAIKJICJVMNHQE-NLRVBDNBSA-N 449.507 5.460 30 40 IKEB COc1ccc(/C=C/C(=O)c2ccccc2O)cc1CSc1nc2ccccc2s1 20258674 LRTHJUUMRZOLAX-ZRDIBKRKSA-N 433.554 6.199 30 40 IKEB COc1cc(/C=C/C(=O)c2ccc(Cl)s2)ccc1OCC(=O)Nc1ccc(C)cc1 36611186 XLIAOARFORVNGW-WEVVVXLNSA-N 441.936 5.632 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O 38162407 AIDVLLPQRVBAGZ-FBCYGCLPSA-N 449.526 5.426 30 40 IKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(OC(=O)c2ccccc2)cc1 59502382 GWNKLRTWMIMJOM-XSFVSMFZSA-N 434.904 5.451 30 40 IKEB Cc1ccc(C23C[C@@H]4C[C@H](CC(C/N=C\c5cc(Br)ccc5O)(C4)C2)C3)cc1 100486653 GCVZMEBNERJKMV-RKZMQHAKSA-N 438.409 6.420 30 40 IKEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@H](F)C[C@@]21C 118933262 JEEUJGVJTLVJQM-PMUYALBOSA-N 439.365 5.082 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl 408768662 ZVZXATYCGKCRKD-CNEDASOKSA-N 435.376 5.720 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1c(C)cccc1C 408912197 PITBUMHEGMXMSM-MDIFQPDJSA-N 447.516 6.096 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408914570 YLSDCBXTZIUYGM-MYKKPKGFSA-N 434.254 6.066 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)o1 408960466 FYWUMZOKPQOIJX-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)S2)cc1 408962249 RISGCPOVICPXPJ-SSDVNMTOSA-N 431.517 5.023 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1 409086350 VGKDUVXWSVRYJA-VSWHYLHOSA-N 434.630 7.574 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O 409100078 PSFWKFWJNPKCEE-LICLKQGHSA-N 438.307 5.934 30 40 IKEB COc1cccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)cc2)c1 409212464 MMBCMMIKDYSXHD-OGLMXYFKSA-N 440.499 6.344 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1Cl 409217403 UHQLCXVLVAJURZ-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OCC)c1OCc1ccc(C)cc1 409235829 CDYMXUVPLJDTQT-PXLXIMEGSA-N 434.536 5.004 30 40 IKEB CCOc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(Cl)c1OC 409289712 OOCITPLVXZVWCS-UHFFFAOYSA-N 439.943 5.387 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2cc(Br)c(OC)c(Br)c2)cc1 829460 QJASZHQITCPAFS-KEBDBYFISA-N 441.119 5.148 30 40 IKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(-c2nc3ccccc3o2)c(O)c1 3114255 COMSJPLQPFKEOM-YSURURNPSA-N 437.839 5.835 30 40 IKEB Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C\c1ccccc1 5808917 DDJHJUVZEFZWQV-ZCXUNETKSA-N 447.563 6.867 30 40 IKEB COc1ccc2c(-c3ccccc3)cc(SCC(=O)Nc3sccc3C#N)nc2c1 9593841 ZDSLJQJBRFRBJD-UHFFFAOYSA-N 431.542 5.574 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@@H]2c1ccccc1 14605392 LGPDOZODHGTGEC-HHHXNRCGSA-N 443.591 5.362 30 40 IKEB COc1ccc(Cl)cc1NC(=O)c1c(/N=C\c2ccncc2)sc2c1CCCC2 15945611 AHNBDHRWQSJQSB-MXAYSNPKSA-N 425.941 5.687 30 40 IKEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC 20196198 XGCWZFQYJPAMPT-LGJNPRDNSA-N 432.351 5.542 30 40 IKEB CCCSc1nnc(/N=C(\O)c2cc(Br)c(Br)s2)s1 27912807 ZAKDDVWEVXEBCH-UHFFFAOYSA-N 443.211 5.263 30 40 IKEB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 36612260 FJIRFWDJPBXNKB-WSLNNMBCSA-N 430.544 5.739 30 40 IKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 59224156 PRXVVCYHGJFOFQ-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1c(C)[nH]c3ccc(Cl)cc13)=C2 62001650 RQZXAPZULVDSBX-UHFFFAOYSA-N 438.955 5.637 30 40 IKEB biogenic CCCCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 70687609 GMLLHNJKYTUSNS-JPGMGBJISA-N 448.607 5.682 30 40 IKEB biogenic CCCCCCCCCCCCOc1ccccc1OCCCCCCCCCCCC 78212027 QZKHVGBCTSNCTL-UHFFFAOYSA-N 446.760 10.286 30 40 IKEB C[C@H](Sc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)C(=O)Nc1nccs1 100097394 GHGMIROQACHFER-LITAXMHPSA-N 442.566 5.762 30 40 IKEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Br)c1 101284697 XVOQWIZSIDMNCI-IBGZPJMESA-N 447.377 5.233 30 40 IKEB Cc1ccc(OCc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)cc1 223687169 DQILSLKINIVUTJ-UHFFFAOYSA-N 431.348 5.417 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)c(C)c1 408775531 HUSNVUUBJFQQDO-NDENLUEZSA-N 446.488 5.291 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1C 408820851 ZQDHKIZHMPOARN-MYYYXRDXSA-N 437.568 6.198 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)S/C1=N\c1ccccc1 408912376 NIJFSRQLYANWNK-LBMUFILHSA-N 447.516 6.177 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)S1 408931735 PNOJFUKQJIWPRR-UYRXBGFRSA-N 427.451 5.696 30 40 IKEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c(OC)c1C 409086918 XKACRZGENBAINQ-ROIOHNFESA-N 444.984 5.926 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl 409168283 PRCNUPMDINJNQX-VCHYOVAHSA-N 443.311 5.114 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 702366 SFXMYOXEFIRAGI-VWLOTQADSA-N 441.527 5.215 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 844370 AAZBNMRMPZSCQJ-RUZDIDTESA-N 429.560 5.385 30 40 IKEB Cc1ccc(NP(=O)(Nc2ccc(C)cc2)C(F)(F)C(F)(F)C(F)(F)F)cc1 3200205 BWUFJCQBTDFEKQ-UHFFFAOYSA-N 428.288 6.811 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1 8820805 KPPYNEUTETWXIX-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc(O)c(C#N)c(-c2ccccc2)n1 9042016 WLCREAIJQGSTHR-UHFFFAOYSA-N 446.576 5.698 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2)cc1 9123666 BSYQYOZIPXRRSY-OAQYLSRUSA-N 426.497 5.388 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC(C)C)cc1 9805264 DLMCFGIKAGDIIT-ONOMSOESSA-N 438.571 6.762 30 40 IKEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(CCCC)cc2)c1 12681928 JMVHJJVMOUXRJC-UHFFFAOYSA-N 448.588 5.663 30 40 IKEB COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cs2)cc1 12900095 LHVOLNHFJWJWRS-ONNFQVAWSA-N 447.343 6.039 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 20633173 HKDIUJWGKHBEOU-VWLOTQADSA-N 437.499 5.847 30 40 IKEB COc1ccc([C@H](CNc2oc(Cc3cccc4ccccc34)nc2C#N)N(C)C)cc1 27793553 AUZFPBOLFIOQJP-DEOSSOPVSA-N 426.520 5.014 30 40 IKEB CCCCCCCCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 100934600 BPPZUCFHZWACGP-SZXZEDJCSA-N 429.586 5.258 30 40 IKEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 104182674 BCDPESCVCNJTCL-LFVOPCPISA-N 438.936 5.546 30 40 IKEB CCO/C(=N/c1ccc(C#N)cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 104229407 RXUDBKMKUWJAFP-PNOGMODKSA-N 448.591 7.308 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccccc2F)cc1 408527282 AAAAMJOZNOIWRW-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB CCCCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 408539512 ICSWNDUFNJSBGS-UHFFFAOYSA-N 427.972 6.000 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 408751629 ARCVUOAWTXQPEW-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB C=CCn1c(C)c(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)c2ccccc21 408862262 XUQBQXNXJSNRRS-BKUYFWCQSA-N 437.952 5.689 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(OC)c1 408871218 YVVNMSKPJLWPAZ-LYOBYNQFSA-N 436.577 5.887 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)c([N+](=O)[O-])c1 408935860 DWIIXLUHLUWBTQ-KSEXSDGBSA-N 444.806 5.321 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)S2)cc1 408966083 MSRGNQYMNBKUII-HYARGMPZSA-N 434.492 5.305 30 40 IKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(F)c1 409203026 UHTZYSMKJNEOHK-RDRPBHBLSA-N 427.475 6.956 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409212211 ORYNAMJLYZJJTJ-LGJNPRDNSA-N 443.330 6.079 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409212815 RDEXOPAUTVGXGR-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCCC2)cc1F 409278672 FIVXQWWHWDWCCE-UHFFFAOYSA-N 432.543 5.456 30 40 IKEB CCN1/C(=C/C2=C(O)/C(=C/c3sc4ccccc4[n+]3CC)C2=O)Sc2ccccc21 1714888 QGPLEIXNDHGZCL-UHFFFAOYSA-O 433.578 5.461 30 40 IKEB COc1ccc(-c2csc(/N=C(\O)c3ccc(C)c(Cl)c3)n2)cc1Br 2258577 WDQMQMPBICHJMQ-UHFFFAOYSA-N 437.746 6.179 30 40 IKEB C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2ccccc2)ccc1Cl 3320529 ZQBSVIOJCFYXMY-UHFFFAOYSA-N 441.936 5.078 30 40 IKEB O=C1/C(=C/c2ccccc2)CN(C(=O)Oc2ccc(Cl)cc2)C/C1=C\c1ccccc1 5889706 FNXCWBHQNWTCOR-YHARCJFQSA-N 429.903 5.891 30 40 IKEB C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccccc1 9446967 SEWKQVRGQXLBDH-HSZRJFAPSA-N 440.572 5.912 30 40 IKEB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)no2)cc1 9597828 HODYNPFGZYSSKD-HNNXBMFYSA-N 435.549 5.687 30 40 IKEB CC(C)/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1c[nH]c2ccccc12 12550669 OYZWWQNEHJHVNS-RMUWJMETSA-N 436.584 6.556 30 40 IKEB Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 12583716 RAPDFXNYVICRSI-OAQYLSRUSA-N 441.428 5.903 30 40 IKEB Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2C)c1 13286048 UTIRDWYKPIHXFQ-SLJQUXCSSA-N 443.597 6.482 30 40 IKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)C[C@H]12 253497861 UELTYJDTQILMTO-TWOMTAPYSA-N 446.553 6.671 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1OC 408787251 VVVCSQHIBFBAFT-QRQIAZFYSA-N 448.588 5.715 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CC 408908648 AUNOFHAMOFLTSZ-AJGXWLHTSA-N 442.584 6.452 30 40 IKEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O 409046168 JFQDQPMPLCMPBY-YBFXNURJSA-N 448.327 5.251 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 409078291 BMNZUTNRDULQCG-LMCHCYRTSA-N 432.929 5.077 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1 409211013 LUFVQEPLPONZOM-DHRITJCHSA-N 444.756 6.749 30 40 IKEB Cc1ccccc1Oc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409245286 QIXHURKYRXUEDC-DXJNIWACSA-N 434.514 7.680 30 40 IKEB FC(F)(F)C1(C(F)(F)F)O/C(=N/Cc2ccccc2)C(C(F)(F)F)(C(F)(F)F)O1 575371972 IOMYJXZLWMRNFZ-FLUNURKVSA-N 449.191 5.316 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N\c1cc(C)ccc1C 1416226 NWBGBTNMXMVFRS-RGCCPRADSA-N 435.593 5.375 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 2203109 BUFNDFFDMNUHLT-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB Cc1cc(C(=O)CON=C2c3ccccc3-c3ccccc32)c(C)n1Cc1cccs1 2645639 DZBWVGODSUSAQY-UHFFFAOYSA-N 426.541 5.847 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)c(OC)c1 4060721 SZUBJTPRYPQCBJ-QHCPKHFHSA-N 441.568 5.041 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2 4065501 WPJSWEYGXJTELH-LMKMVOKYSA-N 435.354 6.973 30 40 IKEB Cc1ccc(C(C)C)c(C(=C2C=CC(=[N+](C)C)C=C2)c2c(C(C)C)ccc(C)c2O)c1O 5699302 FMTSPPBXSAUNGG-UHFFFAOYSA-O 430.612 6.602 30 40 IKEB O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O)Nc1ccccc1 9846039 PWLSRAYGEUZYSE-PQHDRGKASA-N 443.572 5.280 30 40 IKEB N#CCC[C@@H](C#N)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 12558062 WVPXDRSKAKXGGJ-HNNXBMFYSA-N 432.940 5.605 30 40 IKEB COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2F)n1 12749473 LOCQZOXURFYCBK-RMKNXTFCSA-N 428.460 5.319 30 40 IKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccco2)cc1 21722429 NCBGUCIAQKSRMA-RUZDIDTESA-N 442.515 5.745 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 33349883 NDTUHKKTTBVOMI-AGGBOBLOSA-N 444.556 5.377 30 40 IKEB COc1ccc(/C=N/CC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC 96448089 ODWKEQAUZHUXKA-HLAFJECWSA-N 425.569 5.510 30 40 IKEB biogenic C=CC/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C1CCCCCCC1 101193963 YFSUMVLXPNFICS-DRGFOCDESA-N 434.005 5.268 30 40 IKEB O=C1C(Nc2ccccc2)=C/C(=N/S(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 103321453 CTANWUOLWWTIQN-COOPMVRXSA-N 438.508 5.210 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 245241334 ANTLLZHQDMIOLB-ZKDRPRCISA-N 447.446 6.959 30 40 IKEB biogenic N#Cc1ccccc1COc1ccccc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 408633008 IVIWBIPWDYOFBN-XKZIYDEJSA-N 427.485 5.231 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC 408725142 HMJAIUHEMKMAMU-DZNDYGJHSA-N 442.540 6.069 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(Cl)ccc2OC)NC1=O 408864580 XYLBLKCUXIGWGB-HMAPJEAMSA-N 448.931 5.405 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1ccccc1 408907418 NJAYDHDPCPUUKW-HBPDIUARSA-N 439.540 5.954 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1Cl 409083731 ONCQEZXJJYOJGB-BRJLIKDPSA-N 428.941 5.563 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)cc1 409171808 AXNWEFXBQNUSDW-ZVHZXABRSA-N 441.556 5.765 30 40 IKEB C=CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br 409199167 BNRKBKMHQOEKJF-UFFVCSGVSA-N 443.566 6.489 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c(C)c1 409211775 MZLXGFCPUDSDSC-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c1C 409216437 IFXJFDOZRBMFPH-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB C#CCOc1ccc2ccccc2c1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409283212 OODJKBAEOYYKAN-UHFFFAOYSA-N 435.527 5.492 30 40 IKEB CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1 524729416 SRRCNBDSXVCQOE-DZCITIIWSA-N 426.468 5.573 30 40 IKEB biogenic O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)F 575358948 JKTNXUBZHPIHKY-UHFFFAOYSA-N 441.346 7.172 30 40 IKEB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1/N=C/c1cccs1 2220628 ONUYUWSVNCCVTC-BRJLIKDPSA-N 446.923 5.016 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC(Sc2ccccc2)=C1CS(=O)(=O)c1ccccc1 3048688 LATLKJNZKMSGOO-HXUWFJFHSA-N 434.582 5.653 30 40 IKEB CCOc1ccc2oc(C(=O)N3/C(=N/[C@@H]4CCCC[C@H]4C)SCC3(C)C)c(C)c2c1 6539268 PQJDUCOVWJQBMP-ALPFEICKSA-N 428.598 6.042 30 40 IKEB CCCCCCCCCCCCCCc1ccc(/N=N/c2ccc(N)c3ccccc23)cc1 8383667 JQZMFOKYTVTCEW-ULIFNZDWSA-N 443.679 10.081 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1 9216571 KHMPSGMVRIWTHT-UKILVPOCSA-N 427.460 5.402 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c2ccccc21 9423358 ATJSAJFWWHJFQK-JFLMPSFJSA-N 437.539 6.782 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 9461675 ISLGWEDFAXFHSJ-IBGZPJMESA-N 443.286 5.381 30 40 IKEB O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3ccc(F)cc3)ccc21 9486242 MRFTVKPEYRPCTH-AFPJDJCSSA-N 438.838 5.541 30 40 IKEB Cc1ccc2c(c1)N[C@H](c1cccc(/N=C\c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2 17126009 ZXGVFQHHLQGPAQ-PBSMGWKUSA-N 448.353 7.064 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc4ccccc4n32)cc1OC 19633752 QXKNAJZWGQTVGP-PUAOIOHZSA-N 441.487 5.062 30 40 IKEB C=CCN1C(=O)/C(=C/c2c(-c3ccc(C)cc3)nc3sc(CCC)nn23)SC1=S 41074241 AYLNVJYUHBVBTJ-VBKFSLOCSA-N 440.619 5.106 30 40 IKEB CCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 59663758 BHGSBKZZRTTWGN-UHFFFAOYSA-N 425.569 6.937 30 40 IKEB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1 100117585 BNXHYJGYFILIDX-CMCXOAPSSA-N 432.926 6.435 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cc(Cl)ccc3OC)c3ccccc32)c1 408541406 CNQHFGDOLBNMRV-MZJWZYIUSA-N 432.907 5.889 30 40 IKEB Ic1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2)cc1 408998432 JDHGPMNINNYORF-HYARGMPZSA-N 428.273 5.316 30 40 IKEB COc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 409199474 DOVLKQPPCFNQRM-AFUMVMLFSA-N 440.337 6.104 30 40 IKEB CCc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 409215059 ZKMSAMKAKKSOLW-MUFRIFMGSA-N 434.366 8.039 30 40 IKEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@@H]1COc2ccccc2O1 3288833 SVEMUGQVYOCDBN-FQEVSTJZSA-N 448.573 5.392 30 40 IKEB COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2)cc1Cl 3359869 NIDZZOGVFNBPBG-UHFFFAOYSA-N 432.936 5.760 30 40 IKEB C=CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655451 DWKPTNDODJAHJV-UHFFFAOYSA-N 431.875 6.134 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccccc1Cl 9158174 YWMSGJZBEPEUPC-JAIQZWGSSA-N 429.230 5.968 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 9272800 WJIGZNABDHCGEH-QFIPXVFZSA-N 433.891 5.522 30 40 IKEB FC(F)(F)c1ccc(Cl)c(NC(=S)NN=C2CCCCCCCCCCC2)c1 12659536 GWZGXPKXKQYIFQ-UHFFFAOYSA-N 433.971 7.306 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1 13568518 SYCGTWZEFYLLFC-UWJYYQICSA-N 433.548 5.006 30 40 IKEB CCCC/N=c1\scc(-c2ccc(C3CCCCC3)cc2)n1/N=C/c1ccc(C#N)cc1 15980940 PSOGCPRNBWPOGP-XTPKEVOOSA-N 442.632 6.719 30 40 IKEB COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 19228587 IOGAFSFTYGVAMK-XMMPIXPASA-N 431.532 5.043 30 40 IKEB COc1ccccc1-n1c(=S)ss/c1=N/C(=N\c1ccccc1)c1ccccc1 100843224 WZPNTZCQCFDFLM-NYXNIKODSA-N 435.599 6.018 30 40 IKEB Cc1c(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c2ccccc2n1Cc1ccccc1 108168919 MEKVIHQEISFVFX-FTHAZTDQSA-N 429.570 5.872 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925628 MXIKNOBYVNLDDR-YEJVMYSHSA-N 430.677 7.378 30 40 IKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccc(Cl)c3Cl)C[C@H]12 253497761 ANTLLZHQDMIOLB-YXKQFYMKSA-N 447.446 6.959 30 40 IKEB biogenic C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2Br)C1=O 408536493 ZVANBZLQJQQIQY-PDGQHHTCSA-N 430.323 5.250 30 40 IKEB Cc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409063866 DZUQCURGQSMJPQ-WSDLNYQXSA-N 427.254 5.914 30 40 IKEB C#CCOc1c(Cl)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409401041 BUAIWJIOXDHLII-UHFFFAOYSA-N 448.309 5.265 30 40 IKEB Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 985526 GZPBSMPILJHKDP-UHFFFAOYSA-N 443.591 5.619 30 40 IKEB CCc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 1085650 DZXLCUUIFKYDIB-WGOQTCKBSA-N 446.576 5.107 30 40 IKEB CCc1ccc(OCc2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)n2CC(C)C)cc1 3339837 HUZFULQWFPOENT-UHFFFAOYSA-N 437.525 5.007 30 40 IKEB Cc1cccc(Nc2nc(N/N=C/c3ccccc3F)nc(N3CCC(C)CC3)n2)c1C 8809772 KABPBXDNEDCOFP-CVKSISIWSA-N 433.535 5.053 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 8811395 SDZACZOBLSGMKF-VULFUBBASA-N 429.347 6.095 30 40 IKEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1 9194993 LXWNPGYQYKDEME-WYMPLXKRSA-N 430.291 5.604 30 40 IKEB FC(F)(F)c1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 9310383 ZERKWEGESSOBPJ-JFLMPSFJSA-N 449.440 5.824 30 40 IKEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 9370648 QAWKLARQMMWEKW-JOCHJYFZSA-N 449.890 5.140 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 9370809 LREHHTWOUITJQE-OAQYLSRUSA-N 448.862 5.340 30 40 IKEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1Cl 9508065 GXXWXUREHHRUHR-UHFFFAOYSA-N 448.910 5.692 30 40 IKEB CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 9972253 FYCTYEMAPAOEEF-XHCCPWGMSA-N 427.523 5.871 30 40 IKEB CC1(C)CC(=O)C(I)=C(Nc2ccc(OC(F)(F)F)cc2)C1 12856762 XCMUTAYDYKSTDH-UHFFFAOYSA-N 425.188 5.033 30 40 IKEB N#Cc1ccccc1/C=N\Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1 13132660 DDYZKPVBNJSCGY-QFEZKATASA-N 428.293 5.377 30 40 IKEB O=C(/C(=N/Nc1ccc(Cl)cc1)c1nc2ccccc2oc1=O)c1ccc(Cl)cc1 13757949 JFJBJLIYLSQRBE-ZXVVBBHZSA-N 438.270 5.194 30 40 IKEB CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 20436966 BLEBMOZJPYXVTH-PBWSGDRGSA-N 445.522 5.495 30 40 IKEB N#Cc1nc(-c2ccc(COc3ccc(Br)cc3)o2)oc1NCc1ccco1 33324447 OWIDJIMUTPJCTJ-UHFFFAOYSA-N 440.253 5.353 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1 35105104 JTCJPKGKRNYIBO-YSMPRRRNSA-N 438.911 5.307 30 40 IKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1ccc(-c2cccc(Cl)c2)o1 36245406 LLOJMQJODMHCLP-FEDGQQDLSA-N 436.714 6.621 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCCC(C)C)nc(N)c32)cc1 44973569 DWMQXSRUQJLNSG-LJQANCHMSA-N 436.625 5.706 30 40 IKEB C(=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1)\c1ccc(OCc2ccccc2)cc1 59461379 FVGCLJVNGAORAS-CQMUHVERSA-N 428.513 6.456 30 40 IKEB CCCC(NCCc1c(C)[nH]c2ccc(C)cc12)=C1C(=O)CC(c2ccccc2)CC1=O 100140060 ZTIMZMDSEBPSSU-UHFFFAOYSA-N 428.576 5.687 30 40 IKEB C=C(C)C/N=c1/scc(-c2cccs2)n1/N=C/C(c1ccccc1)c1ccccc1 103461789 SVBXJPSZPSMPMV-FIWVJFLSSA-N 429.614 6.421 30 40 IKEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225060403 DNTJZKZNFIMGLF-UHFFFAOYSA-N 425.859 5.893 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1 408765628 MSPDEDQCSIWDIT-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB CCCN1C2=C(C(=O)CCC2)C(c2ccc(OC(C)C)c(OCC)c2)C2=C1CCCC2=O 408919839 DEMVMEKGJJOURN-UHFFFAOYSA-N 437.580 5.696 30 40 IKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)cc1 409082568 MMRLZRWOHKDEDF-RYUOLSIBSA-N 434.605 6.481 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl 409090820 QLQDIJHKFLAHIC-ZHZULCJRSA-N 447.321 5.840 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409121724 VWDIVNWVNXSOBL-UHFFFAOYSA-N 432.520 6.222 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)S/C1=N/c1ccc(C)c(C)c1 409151766 DBBXOTRPWBAFFK-GNPNYKALSA-N 446.528 5.886 30 40 IKEB CCc1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)cc1 409308740 YIAGSNVAKKYNBK-UHFFFAOYSA-N 427.891 5.908 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc(OC)c1OC 409342810 FMICHDQIRGWDOJ-PXLXIMEGSA-N 447.581 5.991 30 40 IKEB C=CCN(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 2187628 GYEQHYOKYJAKJX-UHFFFAOYSA-N 441.534 6.797 30 40 IKEB CCN1CCN(c2c(Cc3ccccc3Cl)c(C)c(C#N)c3nc4ccccc4n23)CC1 2450857 MQHVTTXEJRBUCD-UHFFFAOYSA-N 443.982 5.054 30 40 IKEB FC(F)(F)c1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4080723 MPXXGOZXIGCONM-JFLMPSFJSA-N 449.440 5.824 30 40 IKEB CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1 6078603 AUARDJHFPZSGAS-QJNLCYIWSA-N 427.982 5.890 30 40 IKEB CC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC(F)F)cc1 9373397 NSMRBIFQENEVOQ-LDPXIUCUSA-N 447.507 5.047 30 40 IKEB CC[C@H](C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)cc1 9403330 NNHYNTCEYZJPDG-KRWDZBQOSA-O 438.016 6.500 30 40 IKEB CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 9459741 IVLPLGXVTUYFOW-KPURRNSFSA-N 438.571 6.479 30 40 IKEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)cc1 9530477 LMNUULUBHCFVST-RMORIDSASA-N 434.875 5.710 30 40 IKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2cccc(OCc3ccccc3)c2)cc1 12468092 WJDXEUVLCKVSDU-PKAZHMFMSA-N 442.588 6.366 30 40 IKEB N#Cc1ccccc1CSc1nc2scc(-c3ccccc3)c2c(=O)n1C1CCCC1 13059263 KTKJHVKOSSOTFI-UHFFFAOYSA-N 443.597 6.404 30 40 IKEB CC(C)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 13816142 OCQDUXCXSHGZPC-QRWLVFNGSA-N 442.441 5.429 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197551 MQOONJYZPNMPEZ-CPJLOUKISA-N 447.556 5.732 30 40 IKEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 19855107 OIKKHQBJFZQQSO-QFIPXVFZSA-N 442.342 5.705 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(Br)cc3)C2=C(O)C1 36512858 BMHURWSUBZKZTK-IBGZPJMESA-N 428.370 6.263 30 40 IKEB CCC(C)(CC)[C@@](O)(C#CC[N+]1(Cc2ccccc2Cl)CCCCC1)c1ccccc1 67319120 VVUACTKHUSEANS-MUUNZHRXSA-N 439.063 6.558 30 40 IKEB Cc1nn(-c2ccccc2)c(O)c1[C@H](c1cccc(OCc2ccccc2)c1)C(C#N)C#N 100742533 UVAJZDIKUDVWRW-AREMUKBSSA-N 434.499 5.261 30 40 IKEB COc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1Cl 101091755 OVVWNDSODUYOKU-UHFFFAOYSA-N 429.825 6.544 30 40 IKEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102536701 MZSMBVNVHXRFAN-XZIUATRESA-N 439.939 5.064 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(OCC)c1OC 214367742 MEADJXVSUXHCKO-DEDYPNTBSA-N 427.497 5.198 30 40 IKEB C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 245333855 BHUDKWOFZIXCDR-SBXWUSSFSA-N 426.597 5.101 30 40 IKEB CCOc1cc(COc2c(Cl)cc(/C=N\O)cc2Cl)ccc1OCc1ccccc1 408540523 SVPRNSGIIIVFLX-ZMFRSBBQSA-N 446.330 6.358 30 40 IKEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 408691866 UZKXKXHSNZSANT-NTUHNPAUSA-N 437.333 6.241 30 40 IKEB Clc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408733475 YBTXUYPSGBFMOK-NJZRLIGZSA-N 432.954 8.215 30 40 IKEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 408749214 LOFZGLLQUSWHLP-VCHYOVAHSA-N 449.746 6.798 30 40 IKEB CC(C)Oc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 408898623 QKSSQYUTRFPSNU-UHFFFAOYSA-N 441.999 6.100 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(C)c1 408914479 YAJVUTVNROLZHT-QFEZKATASA-N 439.899 5.980 30 40 IKEB Cc1cc(C)c(/C=N/Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1C 408975682 LLUBHHSNDPMZJY-CVKSISIWSA-N 433.535 5.116 30 40 IKEB CC(C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409288655 BCIUVVBRIATIRE-UHFFFAOYSA-N 434.496 5.022 30 40 IKEB C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1F 409363652 VFSVJQMWLVRIPT-UHFFFAOYSA-N 442.585 5.076 30 40 IKEB CCc1c(C#N)c(SCC(=O)c2cc3c(ccc4ccccc43)oc2=O)nc2c1CCC2 1089452 HTMCNTGXYJYTCE-UHFFFAOYSA-N 440.524 5.239 30 40 IKEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(Nc3ccccc3F)s2)c1 3345871 KXPZDYWWAOSQTO-UHFFFAOYSA-N 441.557 5.077 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1 6177270 JNAAZPVXVYVNER-ZUNHGIIWSA-N 431.319 5.224 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc(Br)c1O 8445234 LUGCRIGVRZXROD-LICLKQGHSA-N 447.354 5.062 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 9461674 ISLGWEDFAXFHSJ-LJQANCHMSA-N 443.286 5.381 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 12377937 CUXIXMQHPVSDDF-UNOMPAQXSA-N 431.966 5.315 30 40 IKEB COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC 20196319 GLLVSCPCEXUWPP-MZJWZYIUSA-N 445.346 5.713 30 40 IKEB C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2cc(Cl)cc(Cl)c2)c1=O 28537539 GLQAZVXKEVSGEA-UHFFFAOYSA-N 449.363 5.176 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463772 MOPOXXVIEYLWFN-VULFUBBASA-N 447.947 7.406 30 40 IKEB CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O 85599718 DKHGMERMDICWDU-CBCCJYJLSA-N 444.659 8.918 30 40 IKEB aggregator,biogenic,investigational Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1 102858975 CGUGPNGMUCWTCC-JBCNATCCSA-N 444.487 5.370 30 40 IKEB CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CO 117348485 XKEXBFZQUALQFX-STBIYBPSSA-N 433.514 6.749 30 40 IKEB O=C1/C(=N\Nc2cc(Cl)cc(Cl)c2)c2cc(C(F)(F)F)ccc2N1C1CSC1 223743710 UQQGLFKOKVJSSQ-XYGWBWBKSA-N 446.281 5.290 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)SC1=Nc1ccccc1 260572420 VGJLOFOGXZMALQ-KXHMDKFRSA-N 433.621 6.423 30 40 IKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 408734658 BMDMPKMUBRYAOO-PFKHKWDZSA-N 435.126 6.023 30 40 IKEB Cc1cc(I)ccc1/N=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 408780047 QXJJTSIBCURAHA-FMCGGJTJSA-N 448.735 6.411 30 40 IKEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NCCc1ccccc1 408808028 MFJUQKJEGRXMLC-DICXZTSXSA-N 427.331 5.482 30 40 IKEB CCCN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)SC1=Nc1ccccc1 409099235 KGTAXSFUNBYEDD-SNSRFIGSSA-N 431.517 5.190 30 40 IKEB CCn1c(C)cc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c1C 409284316 QXYRNDDKMHZDNE-UHFFFAOYSA-N 438.453 5.403 30 40 IKEB COc1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)c(C)c1 409308891 ZBZDUBGPBYQEMW-UHFFFAOYSA-N 443.890 5.662 30 40 IKEB C=C(C)[C@@H]1C[C@H](c2ccc(C(C)C)cc2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037879089 QSOGRAPLOSWWTM-AOOPRCNYSA-N 426.528 6.239 30 40 IKEB CC(=O)/C(=N\Nc1ccccc1C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 1744185 VMOUKQMRCDQQTI-SLEBQGDGSA-N 427.533 5.349 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 9086250 VLDHWJMTQONKAI-HSZRJFAPSA-N 429.516 5.664 30 40 IKEB C=C(C)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 9144876 CHEFASWGPNAYOI-UHFFFAOYSA-N 433.602 6.426 30 40 IKEB COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)no1 9597845 UBSUMNIDYLNHGT-AWEZNQCLSA-N 435.549 5.687 30 40 IKEB C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1cccc(Cl)c1 9729932 BAPBVPGTUDMTPW-CQSZACIVSA-N 431.920 5.199 30 40 IKEB O=C(Nc1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)c1ccncc1 11026151 FHVZUCODTNXTFJ-UHFFFAOYSA-N 432.242 5.138 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)cc1 12558352 FKKHBJNVBVBWFN-DTQAZKPQSA-N 429.317 6.198 30 40 IKEB O=C1/C(=N\Nc2ccc(Cl)c(C(F)(F)F)c2)C(c2ccccc2)=NN1c1ccccc1 12625313 KYVLZMDRHXGDNK-RRAHZORUSA-N 442.828 5.578 30 40 IKEB Cc1nc(COc2ccc(C(=O)Nc3cccc(C#Cc4cccs4)c3)cc2)cs1 12973412 BPTJCNWOOPABKK-UHFFFAOYSA-N 430.554 5.744 30 40 IKEB COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc2c(c1)OCO2 13568662 FRACDMYJQALVPS-CBZJRKILSA-N 440.499 5.403 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 15303962 LLNRKJFJWZESND-NIYFSFCBSA-N 448.488 6.993 30 40 IKEB O=C1Nc2ccccc2/C1=N/Nc1cc(-c2ccccc2)c2cc(Br)ccc2n1 16492737 VIZRGESTSYNYQT-UHFFFAOYSA-N 443.304 5.433 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 20650017 RWQVKVXQJZLEOR-HMAPJEAMSA-N 448.390 6.717 30 40 IKEB C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 27017957 BBABVYNQFCBUHX-UYRXBGFRSA-N 437.977 5.580 30 40 IKEB Cc1ccc(NC(=O)CO/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 33379219 HEOULHIKEXZXGH-ZMFRSBBQSA-N 426.875 5.356 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3ccccc3O)C(=O)N2c2ccc(CC)cc2)cc1 101007695 NHURAULZIVKKES-HXNPFYCNSA-N 428.557 6.326 30 40 IKEB N#CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 103583580 JXKSAHBKOVSBDM-QRQIAZFYSA-N 429.545 5.210 30 40 IKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 225780303 UJRRVLGUYUMWEW-UHFFFAOYSA-N 433.335 5.339 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1 408761771 BKHBSRRSTKEILB-PDGQHHTCSA-N 443.366 5.522 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccc(C)cc1 408915595 YVFDDIPQSQAKAO-COBJSXJPSA-N 445.382 5.866 30 40 IKEB N#Cc1ccccc1COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408991674 QWSDCXDBCZFEFB-UHFFFAOYSA-N 427.529 5.783 30 40 IKEB Brc1ccc(COc2ccc(/C=N/c3ccco3)cc2)c(Br)c1 409185085 RUMCHAJPDQTZQT-SRZZPIQSSA-N 435.115 6.134 30 40 IKEB CCCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OC 409214455 XMPNDYKMRUIPTP-SRZZPIQSSA-N 443.712 5.801 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)cc1OC 409375389 KCHGAOKDQNSZLU-BIIZOFCJSA-N 444.984 6.150 30 40 IKEB Cc1ccc(OCCOc2ccccc2/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2179825 GTTLREYZOWNBHV-TURZUDJPSA-N 441.531 5.001 30 40 IKEB Clc1ccc(Cl)c2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c12 2386330 WIGAOZAIIOXKBX-UHFFFAOYSA-N 447.364 8.099 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(Oc4ccccc4)cc3)c2C#N)C1 2663215 FNGZKECVTJAOCU-INIZCTEOSA-N 446.528 5.332 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1 5955399 IQWDOFYXFDSDPM-TURZUDJPSA-N 438.552 5.274 30 40 IKEB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 10119143 TUOZYDDTMZAOPS-OCSSWDANSA-N 425.919 6.068 30 40 IKEB Cc1cccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccc(C(C)(C)C)cc3)n2)c1C 11903215 XXZQYTXVKOMWTM-UHFFFAOYSA-N 446.576 5.366 30 40 IKEB Cc1ccc(NC(=S)C2=C(NCCc3c[nH]c4ccccc34)CC(C)(C)CC2=O)cc1C 19727921 DEQZFNCOOQPLOZ-UHFFFAOYSA-N 445.632 6.000 30 40 IKEB C=CCSc1nc(SCC=C)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 20033406 GKPTVTXANHXVRI-UHFFFAOYSA-N 425.648 5.806 30 40 IKEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3c(C#N)oc4ccccc34)c2n1 32823667 AYPLSHDFIPKVLJ-UHFFFAOYSA-N 426.259 5.485 30 40 IKEB c1ccc([C@H]2C/C(=N\N=C3/C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 33961009 YRRHIUDRTJZIPK-GERUXKALSA-N 444.534 6.928 30 40 IKEB in-vitro C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccccc1 101226868 WMOZZLXNNLEPKD-OCLJWFPGSA-N 434.348 5.140 30 40 IKEB CCOc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102501576 MHYAJTQWIMJGKN-MOBKVPTQSA-N 433.891 5.365 30 40 IKEB CC(/C=N\Nc1nnc(N/N=C/C(C)=C\c2ccccc2)c2ccccc12)=C/c1ccccc1 104079210 BPCYNUABEPJTQI-IPEMWYRCSA-N 446.558 6.632 30 40 IKEB CCCCCC[C@H](C)S(=O)(=O)OCCCCOS(=O)(=O)[C@@H](C)CCCCCC 104334387 PWGDFQHQYGXQCY-PMACEKPBSA-N 442.684 5.177 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 198080752 VBNMTJILIXNXQZ-MJDZGMBVSA-N 428.576 7.269 30 40 IKEB C=CCOc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 408558115 PWCSTBKSKBUVGA-UHFFFAOYSA-N 431.555 6.042 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408791176 VTOXWTKSTPYKHX-KQWNVCNZSA-N 429.589 6.283 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S1 408863628 PVIFKNYJRUKIGF-UCQKPKSFSA-N 431.561 5.611 30 40 IKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1O 408970303 FQESJWNJFDVZLO-WGOQTCKBSA-N 434.561 6.124 30 40 IKEB Cc1cc(/N=C/c2c#ccc(OCc3ccc(Cl)cc3Cl)c2)n(-c2ccccc2)n1 409074877 NOGVGLUGYFXJIW-JFLMPSFJSA-N 434.326 6.418 30 40 IKEB C=CCc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1ccccc1 409092460 YQAPZTRKYGVOQM-IPPBACCNSA-N 441.453 5.863 30 40 IKEB Clc1ccccc1COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 409201327 LNAUWWVCZVKHJT-STBIYBPSSA-N 448.349 8.115 30 40 IKEB CCOc1ccc(Br)cc1/C=C1/S/C(=N/c2ccc(F)cc2)N(CC)C1=O 409239008 YIQWHQHSHWLWIJ-ISFSXHQYSA-N 449.345 5.611 30 40 IKEB CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)ccc1OC 657450 VYQIXMZMGFKXQF-UHFFFAOYSA-N 437.580 5.409 30 40 IKEB COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC 709516 OJVSDPMGDOHGSH-QYBDOPJKSA-N 426.516 5.683 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)cc1 3639564 XGTVBDHKQSNKBC-AVRWGWEMSA-N 449.522 5.149 30 40 IKEB COc1cc(OC)c(OC)cc1/C=C(\C(=O)c1ccc(C)cc1)c1nc2ccccc2o1 8915580 ATVSEIKSHPXOSM-CPNJWEJPSA-N 429.472 5.586 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc23)C1=O 9465137 AGIIGYPVATZIIW-UVQVWFEYSA-N 444.604 5.540 30 40 IKEB COc1ccc(CC(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 9971383 XDXOHXLWLKACDI-NRFANRHFSA-N 439.342 6.147 30 40 IKEB Cc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c(Br)c1 13503499 SYDGALLKQGWWEG-UHFFFAOYSA-N 440.366 5.525 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O 13895873 YSLXPAUGCBPIFW-GZAOZUBMSA-N 446.528 5.527 30 40 IKEB Brc1cccc(-c2cs/c(=N\c3ccccc3)n2/N=C/c2ccccn2)c1 15980638 QGGVQMPHICHFDG-HZCJYTJWSA-N 435.350 5.489 30 40 IKEB CC(C)CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 17113156 MGQLKWGCENGDDV-QGZVFWFLSA-N 429.611 5.170 30 40 IKEB COc1cc(/C=C2\S/C(=N/c3ccc(Br)cc3)N=C2O)cc(OC)c1OC 17196739 HALFXRUOFHFOMU-YBEGLDIGSA-N 449.326 5.207 30 40 IKEB Cc1ccc(C)c(Sc2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2)c1 20007610 JBERZPLSUSCKBM-UHFFFAOYSA-N 431.561 5.203 30 40 IKEB Cc1cc(C)c2nc(NCCCNC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1 35312786 YMVHJUOVWIYZOK-UHFFFAOYSA-N 441.457 5.366 30 40 IKEB C=CCn1c(Sc2ncnc3scc(-c4ccc(Cl)cc4)c23)nnc1C1CC1 40020228 WGPLKIOOPXRQNK-UHFFFAOYSA-N 425.970 5.818 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CO 72399495 CTHUQQFNFRTUSM-AAXKSKNKSA-N 439.681 6.977 30 40 IKEB in-vitro CCOc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 100241724 UNLBWLGZDUAXKR-OBGMXFBLSA-N 443.474 5.407 30 40 IKEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 102527980 IEELTGDAKUDOCY-JBCNATCCSA-N 441.955 5.096 30 40 IKEB CCCCCCCCCCCCC[C@@H](CCCCCCCCCCC)C[C@@H](C)C(=O)O 105406316 JFXBYIDWKXORSN-VSGBNLITSA-N 438.781 10.335 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N1O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)F 113824496 RDGJBZXVLOXHPC-GHRGBZDBSA-N 449.060 5.116 30 40 IKEB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(O)=CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@]21C 253535682 IWTDBUXEKPBMLR-CLPQFWGYSA-N 429.604 5.889 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)c(Cl)c3)c3ccccc32)c1 408542502 LVZUFVCOSWNQLQ-WKIKZPBSSA-N 437.326 6.534 30 40 IKEB CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 409016459 JBUDKQWDCLTAQV-STBIYBPSSA-N 446.616 6.342 30 40 IKEB CN(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)o1 409080813 OJKSCXUNUHBOOI-YMOZLIFUSA-N 449.620 6.561 30 40 IKEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(=O)OCCCC)cc3)c2C)C1=O 409130380 HQDKQVCLJKNWHV-QNGOZBTKSA-N 438.549 5.273 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OCC 409329132 CXIUVVDAILTLSS-PDGQHHTCSA-N 449.956 5.848 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1OC 409376991 DHSOZBBACIXPNZ-NYJDGVIYSA-N 430.957 5.760 30 40 IKEB CCNC(=S)N/N=C/c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 2223633 YNCOTJWNYLPTGX-BRJLIKDPSA-N 434.005 5.177 30 40 IKEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 8820819 BOYKYXGIANFVJJ-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 8888206 HYENONJVQALLET-RFHOTIDYSA-N 426.343 6.727 30 40 IKEB C/C(=N\Nc1ncc(-c2cc3cc(Br)ccc3oc2=O)s1)c1ccccc1 8952558 BUCXYSPJWVWKMS-FSJBWODESA-N 440.322 5.515 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c2cc(OC)ccc21 8993358 AFELYTRGWXQTDL-DHRITJCHSA-N 439.467 5.505 30 40 IKEB C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 9187476 VBUQIEMARLVDCX-HSZRJFAPSA-N 442.471 5.021 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1 9461026 FXHGIRNXNZEHNV-NRFANRHFSA-N 444.512 5.796 30 40 IKEB O=C(/C=C/c1ccc2ncccc2c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 12555443 FXEHMRFQWCIMSC-UKTHLTGXSA-N 436.898 6.293 30 40 IKEB COc1cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccccc1 12570363 XBUGMOZCSDMWES-UVHMKAGCSA-N 434.845 6.392 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1 16384304 NQIHZPVXWJPHMT-SRZZPIQSSA-N 438.709 5.457 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C(\c2ccc(Cl)cc2)c2ccccc2Cl)c([N+](=O)[O-])c1 17156669 DULWYMBTCVYVBN-FCDQGJHFSA-N 431.235 5.674 30 40 IKEB Clc1c(Cl)c(Cl)c(OCC#CI)c(Cl)c1Cl 98175238 FKGQDTLHOCREKS-UHFFFAOYSA-N 430.283 5.728 30 40 IKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1 102553286 SQPCACGGUYLTEZ-JBCNATCCSA-N 448.316 5.384 30 40 IKEB Clc1ccc(/C(=N/c2ccccc2)[C@@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 104046562 UWSHCXPHJCVWGB-YVARBQMLSA-N 431.366 7.968 30 40 IKEB COc1ccc(/N=C2/SCCN2Cc2cccc(OCc3ccccc3Cl)c2)cc1 105338657 FXEMJXUELOQVAQ-SHHOIMCASA-N 438.980 6.164 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)s1 107895083 ITBAVBBDPGOBRV-JXMVDPOESA-N 444.585 5.521 30 40 IKEB C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccc(OC)cc12 257173665 UOXLNYIYPISSFF-XCUDUSTGSA-N 428.532 5.038 30 40 IKEB C=CCn1c(C)c(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)c2ccccc21 408808831 GUIIQZNOQQBFQF-UHFFFAOYSA-N 438.960 5.561 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc1 408914464 UWONQYSQUAJQSM-WEOUEGTISA-N 446.616 6.751 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409008373 XNERIPDKVJPOLC-JLPGSUDCSA-N 440.524 5.416 30 40 IKEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(F)cc1 409032810 DMLULTALIBONIN-WPDGFUPNSA-N 442.306 5.127 30 40 IKEB COc1cc(C)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1OC 409076712 BWWWOWAVPPQLKT-IKQKJRAVSA-N 444.984 5.926 30 40 IKEB C#CCOc1c(Cl)cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 409087447 COQPWVKXWNFOIP-JZNDDVEWSA-N 440.996 6.195 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409107712 QDJVWOFCRLZKFT-WSDLNYQXSA-N 443.253 5.614 30 40 IKEB Cc1ccc(/N=C2/S[C@H](Cc3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 409149343 CAZWPTZKOPMNOL-KXYXFYQNSA-N 441.556 5.250 30 40 IKEB Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1 409157579 WBYYLCNLTNVIED-ZVHZXABRSA-N 440.524 5.682 30 40 IKEB Cc1ccc(/N=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)cc1Cl 409202052 OIWHBVWPZSCCPR-RWPZCVJISA-N 429.903 6.829 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409212344 QDFJHKPZNGACHA-LGJNPRDNSA-N 434.750 7.375 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2)cc1 654756 ZFLJUPDRWUJWEP-DEOSSOPVSA-N 437.495 5.007 30 40 IKEB COc1cc(C2=C3C(=O)CC(C)(C)C[C@H]3Nc3ccc4ncccc4c32)ccc1OC(C)=O 1072442 ZYXMJPUTWGUMEF-HXUWFJFHSA-N 442.515 5.154 30 40 IKEB COc1cc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)ccc1O 3201901 NWWJNGHQHDPONI-MFKUBSTISA-N 432.416 5.630 30 40 IKEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)cc1 3352029 YQDZADRRJREEDU-UHFFFAOYSA-N 435.455 5.151 30 40 IKEB C/C(=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Br)cc1 6014599 ZSXWMYUORRBFDB-QRQIAZFYSA-N 443.348 6.409 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 6137158 PNVVJAWMSSGWSM-HSZRJFAPSA-N 434.511 5.077 30 40 IKEB COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 8820996 ALXCLHIYUZNVBY-YBFXNURJSA-N 445.327 6.154 30 40 IKEB COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 8857109 CTIPLYGVRCKMJB-RNVVAPDXSA-N 431.488 5.157 30 40 IKEB N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c2ccccc21 9111769 JMNVULDBXBLUCS-UHFFFAOYSA-N 445.523 5.262 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 9126762 WHPSBRYCLHCWOX-UHFFFAOYSA-N 447.745 5.095 30 40 IKEB Cc1ccccc1Cn1c(C)c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9197827 FYIURDPGVYRUEW-CCVNUDIWSA-N 436.386 6.737 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)c2cc(OC)ccc21 9421000 QTMITFRAHAIIGD-WSDLNYQXSA-N 433.504 5.546 30 40 IKEB Cc1c(C)n(C(=O)CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c2ccccc12 10059651 QUJQHGKUGUOSMS-UHFFFAOYSA-N 448.935 5.378 30 40 IKEB O=C(/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)C(F)(F)F)c1ccccc1 12375846 PALALLIHUDRAIR-ATVHPVEESA-N 438.323 6.363 30 40 IKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 12419618 MGBIFJBBQLLBCJ-JJFYIABZSA-N 430.441 5.597 30 40 IKEB FC(F)Oc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c(OC(F)F)c1 12620614 RCJWLUSYWIPBJO-VVAXDPKNSA-N 431.695 5.403 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cc(C)ccc1C 13306271 UZDHATYOWYEWMI-ZMPCKTLKSA-N 437.590 5.472 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(Cl)cc1Cl 13567954 BYLFWEVXMCQIKO-CQSZACIVSA-N 430.287 5.250 30 40 IKEB CCOc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 13575580 INMBJBTYRUWKEK-OYUWMTPXSA-N 445.522 5.370 30 40 IKEB COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2 18196918 DPPKVWONRSMZNE-HHHXNRCGSA-N 441.527 5.847 30 40 IKEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 19647224 XICDTYAETWKQBQ-XGCWNURASA-N 448.501 6.072 30 40 IKEB N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 19848311 XRNILQTVVRXVCB-UHFFFAOYSA-N 448.551 5.945 30 40 IKEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)o2)cc1 27562695 YFDWPOHDXHHIEA-JOCHJYFZSA-N 436.943 5.514 30 40 IKEB C=CCNC(=S)NCCSCCCCCCCCCCCCCCCCCC 101987112 ZHXMSVYLGKTCML-UHFFFAOYSA-N 428.796 7.631 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(C(F)(F)F)c1 102148747 XEPZYMMCFVOVPS-UZLGTQPFSA-N 449.523 6.090 30 40 IKEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 102705130 ILMUDAQOQIFPLP-AYWGPLOBSA-N 442.515 5.014 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)SC1=Nc1ccccc1 260567947 MYYFTYMFARSJOJ-WNOHRPASSA-N 447.604 5.569 30 40 IKEB O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408531162 LBWIPUZBWVDWIW-ORVWWNJKSA-N 441.339 6.508 30 40 IKEB O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 408767487 LGNJXOFSTRGEKY-PZFZXBCHSA-N 434.948 5.718 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1C1CCCC1 408773709 SFZYRCJTVLPYJY-ZEHKLFRWSA-N 441.600 7.029 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O 408817820 OBCDDABKNKULRG-HMAPJEAMSA-N 432.932 5.705 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C(C)C)c(O)c(C(C)C)c1 408847306 UWHOBHVPLBWOCF-HSZRJFAPSA-N 445.559 5.771 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1cc(C)ccc1C 408905658 BXXMWRBYDZZEFB-CRUFNBOHSA-N 445.382 5.698 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408915406 YBDQSXHXBUCQHA-SAFFEFKRSA-N 425.510 5.314 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 408928734 GJYPOXVMMSXECR-YFGQCYJXSA-N 437.565 5.015 30 40 IKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408948911 RSCMMCPMVLVXHK-YSURURNPSA-N 431.275 5.548 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc3ccccc3c2)N(C)C1=O 408961069 QRZXPWBKNCQJMG-SIFMURAYSA-N 427.573 5.982 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C1=O 409065769 NCPFKANMAGBANA-CPNJWEJPSA-N 429.925 5.540 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccccc2Cl)cc1Br 409178882 ONAYJZBQDSQICY-UHFFFAOYSA-N 431.555 6.042 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409198872 ABVPBYPGFQLMQV-AFUMVMLFSA-N 428.757 6.995 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 409201408 MTEFQHYESFYIRN-MUFRIFMGSA-N 434.366 8.039 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409202134 PDJVUPMAQUKOSZ-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc(OCc3cccc(F)c3)cc2)c1O 1083102858 JJNSZHQNBUIGFW-WYMPLXKRSA-N 430.273 5.632 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 8424295 NDTUHKKTTBVOMI-PHSRYYMBSA-N 444.556 5.377 30 40 IKEB CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)S/C1=N/c1ccccc1 8451931 DVEURUIBUFCIJC-VCICBFQVSA-N 425.513 5.371 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 9273020 ZMVXXGLRNXCNKH-NRFANRHFSA-N 448.862 5.340 30 40 IKEB Oc1c(Br)cc(/C=N/Nc2ccccc2C(F)(F)F)cc1Br 12578723 CVNKVXBMWYIBAM-IFRROFPPSA-N 438.041 5.382 30 40 IKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccc(Br)cc3)o2)CC1 27562431 YYVGHWGILIRYPF-ZVHZXABRSA-N 429.362 6.219 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3cccc(OC)c3)c2c1 28182401 ZMTSAHWTAQYXDK-UHFFFAOYSA-N 443.499 6.324 30 40 IKEB biogenic CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)C)cc1 35164399 SXPGLPUQFRPMGI-DEOSSOPVSA-N 428.617 5.387 30 40 IKEB O=C(/C=C1/SC(=S)N(c2cc(Cl)c(O)c(Cl)c2)C1=O)c1c[nH]c2ccccc12 77024397 BZAYSCKSFKQMMO-FRKPEAEDSA-N 449.340 5.312 30 40 IKEB CCCCCCCCCCCCOC(=O)C(=O)OCCCCCCCCCCCC 78199425 KYBDAUNESKLXAZ-UHFFFAOYSA-N 426.682 7.915 30 40 IKEB CCCCCCCCCCCCCCCCNc1ccc(/N=N/c2ccc(C#N)cc2)cc1 97958710 VWVBMGVPJZJOFW-ULIFNZDWSA-N 446.683 9.867 30 40 IKEB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/Nc1ccc(Br)cc1 100109130 FXWLSQIMOYUMDX-ZHACJKMWSA-N 433.758 6.343 30 40 IKEB C=CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(Br)c1 226328860 ILPNNIRWDPOLPP-UHFFFAOYSA-N 426.104 5.133 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 254866003 ULOYTUVYXLVYLM-AWEZNQCLSA-N 449.894 7.026 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(Cc2ccccn2)CC1 257231478 GGWHAXNUICRNGE-UHFFFAOYSA-N 439.603 5.184 30 40 IKEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409076106 XVICNEBTUGJRLD-YSURURNPSA-N 435.242 5.461 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)c2ccccc21 409120179 UYVBPZYNTUVAEB-MTJSOVHGSA-N 444.918 5.706 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409199929 FVPBWEJZBYPQHW-MZJWZYIUSA-N 436.939 6.042 30 40 IKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc(Cl)cc1 409289000 KFFCBZBHHUJVBI-UHFFFAOYSA-N 434.282 5.999 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C(C)C)cc1 409321915 HVVHSLWENNEPJY-OAHLLOKOSA-N 426.358 5.678 30 40 IKEB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)cc1F 606422339 OERCDBOYKUASKF-UHFFFAOYSA-N 445.498 5.638 30 40 IKEB N#Cc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)cc1 1383338 INLCGMDMTPYGSQ-UHFFFAOYSA-N 429.448 6.168 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 4065633 LNVYGCRQHNZVOG-CRICUBBOSA-N 435.354 6.973 30 40 IKEB CCCCCC(=O)N1c2ccccc2CC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C 6635082 SVGLNJIGDXUCDK-AREMUKBSSA-N 433.596 5.625 30 40 IKEB C=C(C)CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 8742635 YRQQONMXMQARGJ-UHFFFAOYSA-N 438.647 6.178 30 40 IKEB O=C(/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2o1)c1ccccc1 8915581 ITKBAFZKQLIQIV-CAPFRKAQSA-N 425.871 7.165 30 40 IKEB COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc(Cl)c1OC 13076283 GANPHQJZEVJECL-ATVHPVEESA-N 435.932 6.390 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O 13750675 RGFJLHSGFCIJKQ-MNWLEOAJSA-N 439.581 5.037 30 40 IKEB C=CCOc1ccc(CN(C)[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 14093188 TWJFKMXPIDEABY-SANMLTNESA-N 428.532 5.266 30 40 IKEB C=CCn1c(CNc2cccc(Cl)c2C)nn(CC(=O)Nc2ccc(C)cc2)c1=S 16768675 FAYCNWMHUFXEHG-UHFFFAOYSA-N 441.988 5.121 30 40 IKEB Cc1cc(OCc2ccc(/C=N/n3c(S)nnc3-c3cccs3)o2)ccc1Cl 36611443 LGMOIRFOJJBBIQ-UFFVCSGVSA-N 430.942 5.311 30 40 IKEB COc1cc2ccccc2cc1C(=O)Nc1c(C)cc2nc(NN=C(C)C)sc2c1C 72228637 JVIMTPCTAFBWRR-UHFFFAOYSA-N 432.549 6.135 30 40 IKEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@@H]1c1ccc(C(C)C)cc1 101231609 VBPYAJSFZJKWKG-NHFXJNLRSA-N 440.337 5.180 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC)c(OC)c3)C[C@H]12 104608064 SZBWKZHLROZHJQ-OOMZPCAGSA-N 432.560 5.831 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)cc2[C@@H](C)CC1(C)C 223579598 ZJYQRNONJMCWFI-QCYAWUEASA-N 447.648 6.616 30 40 IKEB C=C(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 224564182 DUVISBXWMIXWHO-UHFFFAOYSA-N 436.533 5.003 30 40 IKEB C=CCc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)ccc1O 408757206 VZTWPTLAANUGIL-WQRHYEAKSA-N 443.366 5.392 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC 408858108 JRESHBBDWIAFKO-RSSVETSYSA-N 436.577 5.887 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408863169 PWKXHMHOJALKED-JAIQZWGSSA-N 436.468 5.033 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)S2)cc1 408964250 QEERUAPCQPWLPB-WOJGMQOQSA-N 447.354 5.137 30 40 IKEB Cc1cc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccccc1Cl 409064449 PMPCHCMNDWOJKY-ZRGSRPPYSA-N 436.968 5.280 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)C1=O 409074411 QYMYDYDTYXDZRY-XDHOZWIPSA-N 447.915 5.679 30 40 IKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(=O)NC3CCCCC3)c12 409139161 APTZBQHDMSMKOO-UHFFFAOYSA-N 440.543 5.115 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409200187 HJZOZCZNUHCTCA-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC 409206826 QHMKLIUWCHMECW-UHFFFAOYSA-N 431.157 6.332 30 40 IKEB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccccc3C)cc2Cl)c1 409212389 QYFMWPVZGOTTRL-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)cc(Br)c2OCC(=O)O)c1 409214643 YXSCPWIJIPRMNS-DNTJNYDQSA-N 441.119 5.042 30 40 IKEB CCCO[C@@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)c1ccccc1)C(F)(F)F 670420945 DBUAPPJYRIGNCY-RYUDHWBXSA-N 430.238 5.362 30 40 IKEB COc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 721238 QMPAZLQZGXTCEK-PLDZGXPLSA-N 425.484 5.186 30 40 IKEB CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 1421947 WICGYMIPKFLOTE-CYBMUJFWSA-N 433.624 5.264 30 40 IKEB CCCCN(CCCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 3171406 ZUGIMUDIVDQNJJ-SFHVURJKSA-N 448.430 5.651 30 40 IKEB Cc1cc(SCCOc2ccc(Br)cc2)n2c(nc3ccccc32)c1C#N 9308134 WIYDEASSBAMOBN-UHFFFAOYSA-N 438.350 5.601 30 40 IKEB Clc1ccc(-c2nc(N/N=C/c3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 9348389 XGAOTWILJFETRY-BRJLIKDPSA-N 427.722 6.703 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 9995992 FMEZODLYUDSREZ-UHFFFAOYSA-N 441.600 5.245 30 40 IKEB Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccc([N+](=O)[O-])cc2)c1O 13764292 DDQDEMFPGBNFTC-CVKSISIWSA-N 425.444 5.765 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(CC)cc2)S/C1=N\c1cccc(Cl)c1C 17084960 JKQDMARGBGWDEQ-HZYJKNPPSA-N 441.984 5.357 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)s2)C2=C(C[C@H](c3cccs3)CC2=O)N1 17783296 GFBWHKMHZFPNDT-OYHNWAKOSA-N 427.591 5.431 30 40 IKEB C/C(=N\c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O 18101690 RAEUCTGMDXTYNO-MFKUBSTISA-N 432.867 5.535 30 40 IKEB COc1ccc(CN/N=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1OC 20196606 HFKLGYIDDUQERO-UXHLAJHPSA-N 440.543 5.868 30 40 IKEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3cccc(C)c3C)S2(=O)=O)cc1 20558808 PORDWXRXQKUSEB-BUVRLJJBSA-N 432.545 5.098 30 40 IKEB COc1ccc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 36612261 FJIRFWDJPBXNKB-GSIISUNRSA-N 430.544 5.739 30 40 IKEB COC1=C(OC)C(=O)C(CCCCCCCCCCOc2ccnc(Cl)c2)=C(C)C1=O 100360416 WIBTWRWLCRDIHA-UHFFFAOYSA-N 449.975 5.597 30 40 IKEB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 102112725 XREVEVJIGHQCDH-RWPZCVJISA-N 443.547 7.363 30 40 IKEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 102368764 LPVSOYZFSIQTAP-HOGKFDNTSA-N 448.906 5.149 30 40 IKEB CCOC(=O)c1ccc(NC(=S)N2/C(=N/c3ccc(Cl)cc3)SC[C@@H]2CC)cc1 102909264 QGCYUXZZCQTEAX-YQMDHOPXSA-N 448.013 5.729 30 40 IKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc2c3c(cccc13)CC2 408561001 UDUBVWONPBAVIE-UHFFFAOYSA-N 448.636 5.960 30 40 IKEB Clc1ccc(Sc2oc(/C=N\c3ccccc3Cl)cc2Br)cc1 408859042 VOWNLCMPCUREMU-FBHDLOMBSA-N 427.150 7.251 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc2ccccc2c1 408908332 BTFAMWPGMKRNQN-QQXSKIMKSA-N 427.460 5.782 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 409077377 FFSJONXSFBBRNS-ZOVWXIRQSA-N 446.956 5.380 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409116956 MRPZEQKHEFZMCI-UHFFFAOYSA-N 432.520 6.140 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)c1C 409200806 JSMHPDBONXAUMY-DNTJNYDQSA-N 441.119 5.042 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC 409320419 BDAMAKSAAHYSDZ-UHFFFAOYSA-N 448.748 5.046 30 40 IKEB CCOc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409380120 ILTLWPHXWQFOEJ-WGARJPEWSA-N 426.875 5.646 30 40 IKEB O=C(c1cccc(OCc2ccccc2)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242715 IHZWPUOXBOHHIQ-UHFFFAOYSA-N 430.266 5.917 30 40 IKEB C=CCSc1nc2ccc(/N=C/c3ccc(I)o3)cc2s1 2176678 VGAQLFTUVZXDDQ-RQZCQDPDSA-N 426.304 5.523 30 40 IKEB C=C(C)Cn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CC(C)(C)OC3 2181978 WRPZWLIKUBFLTH-UHFFFAOYSA-N 440.634 5.795 30 40 IKEB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)S/C1=N\c1ccccc1 2252645 YAQQDEQVRJHYNY-OBUXZSPNSA-N 431.561 5.345 30 40 IKEB CCn1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc3n2)c(C)n1 2803023 DXQQNJMMJXLMGQ-UHFFFAOYSA-N 441.560 5.491 30 40 IKEB COc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 3089329 VQQUFXAZMYKDAX-WYMPLXKRSA-N 445.258 5.880 30 40 IKEB COc1ccc(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)cc1OCc1ccccc1 3266168 GHQNPTVHKSJUMM-WGOQTCKBSA-N 433.577 5.718 30 40 IKEB COc1ccccc1/C=C(/C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2o1 8437065 KMBMKFGUZRMKPM-AQTBWJFISA-N 445.471 5.286 30 40 IKEB CN1CCc2c(sc(/N=C/c3ccccc3Cl)c2C(=O)Nc2ccc(Cl)cc2)C1 8923781 HGTVCTQKXFJZAW-BRJLIKDPSA-N 444.387 6.046 30 40 IKEB Clc1ccc(/C=N/Nc2nc3nonc3nc2Nc2ccccc2Cl)c(Cl)c1 12375655 YKVQKBLXZWFFQB-ODCIPOBUSA-N 434.674 5.163 30 40 IKEB CCOc1ccc2[nH]c(C(=O)N3CCC(C(=O)/C=C(\Cl)c4ccccc4)CC3)cc2c1 13997089 MUTVPMOEKHULIO-PGMHBOJBSA-N 436.939 5.268 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccc(C#N)cc1 20763271 CIZDFBAKYNMNMK-RWPZCVJISA-N 449.938 5.322 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 32905216 MZZSQSOJWBGNTG-UHFFFAOYSA-N 431.520 5.757 30 40 IKEB COc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 32984392 GIXRCUOMMVBGDZ-UHFFFAOYSA-N 443.883 5.137 30 40 IKEB N#C[C@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc2ccccc2o1 40156544 NQTJRQQFTORRLY-MRXNPFEDSA-N 437.249 5.252 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(OC)c(Cl)c3)c(C)c2s1 72228728 KXYJAMVQCBIQOU-ROTLSHHCSA-N 430.961 6.025 30 40 IKEB CCCCCCCCCCCCCCCCn1c(=N)n(CC(=O)OC)c2ccccc21 102453232 JKBHURDWZYQFGO-UHFFFAOYSA-N 429.649 6.577 30 40 IKEB CCCCCCCCCCCCCCCCCC1=CCCN1C(=S)Nc1ccccc1 104342843 ZUDLMEZKRRPTRS-UHFFFAOYSA-N 442.757 9.235 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 107948875 FWEOMADNLIEDOX-YUMHPJSZSA-N 432.520 5.270 30 40 IKEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)CC(C)(C)N2C(C)C 223587887 QMYSJUKUUDYKQP-ANDSAHIGSA-N 439.516 5.758 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N\c3cccc(C(=O)OC)c3)c3ccccc32)c1 408544856 XZFLPVFBQJQCHP-DICXZTSXSA-N 426.472 5.013 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1Cl 408815196 PRCIQSUZRFETBD-ROTLSHHCSA-N 433.722 6.415 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1C 2242072 NNJLNKZQJCJZME-UHFFFAOYSA-N 432.471 5.189 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc1OC 9427571 AJVXZQZIZXKFAP-JVWAILMASA-N 442.519 5.547 30 40 IKEB Cn1c(=O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(-c2ccccc2)c2cc(Cl)ccc21 12569564 JMWNMWSRARGPOF-YRNVUSSQSA-N 443.886 5.484 30 40 IKEB C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccccc1Cl 13734392 NZFZCDRKSHXHKB-HSZRJFAPSA-N 440.996 6.848 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Cl)SC1=S 13940392 UYMAFEQIEITCKE-WQRHYEAKSA-N 436.385 5.960 30 40 IKEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 15415769 NOUUKUPHMYYWFK-RUZDIDTESA-N 448.607 5.557 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(C)c1 16788931 WQFONXROMUQMQV-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB COc1ccc(CN/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1OC 20196052 SRHHZNNQSMBNDW-FDAWAROLSA-N 449.554 5.984 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)s1 34878054 WTAFIAOERBNUDQ-VKGFHSIMSA-N 442.997 5.579 30 40 IKEB O=C(Oc1ccccc1/C=N/c1ccc(Cl)cc1)c1sc2ccccc2c1Cl 59500721 SZIXOBRDXJJKSA-DHRITJCHSA-N 426.324 7.178 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C 70665479 HDTQUHRXMVKWMI-LYHQETOBSA-N 442.728 8.638 30 40 IKEB biogenic COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@@]21C 118923925 SUISKBUAOOSHAW-CLHYYREUSA-N 444.612 5.265 30 40 IKEB CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)S/C1=N\c1cc(C)ccc1C 408906099 ALKSBTRNGWHFDN-LDRHNPJFSA-N 430.957 5.598 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)N1C 408915772 ZYCQIQWPHYTMMB-JUMVDPBBSA-N 446.528 5.529 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3c(O)ccc4ccccc34)cc1)N2 408936450 GLSSUTWJJAVVCN-QSOHTTGPSA-N 430.551 7.431 30 40 IKEB COc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1ccccc1C#N 408976639 BLSFFUUIQWVEPK-UHFFFAOYSA-N 432.483 5.329 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c(C)c1 409202967 UNCUQHGOEQVYEM-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB Cc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)c1 2082202 JYQLWEQFKRWXBZ-KRWDZBQOSA-N 437.568 6.521 30 40 IKEB Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(C#N)c1-c1ccc(Cl)cc1Cl 2769886 LABFJWDUONOHER-OLZOCXBDSA-N 435.332 5.508 30 40 IKEB N#Cc1c(NC(=O)CSc2ncnc3ccccc23)oc(-c2ccco2)c1-c1ccco1 3305732 JTACNQFZOJHLAE-UHFFFAOYSA-N 442.456 5.345 30 40 IKEB N#Cc1c(Nc2ccccc2)sc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1N 8416819 GBEPFCLJSJRLGS-UHFFFAOYSA-N 437.739 6.158 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 8827732 FULOFADDMZMQLB-QHCPKHFHSA-N 446.503 5.288 30 40 IKEB CO/N=C/C(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 8873277 BOCLLYUKPLMBIO-GZIVZEMBSA-N 449.121 5.126 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)c2ccccc21 8991936 RIOAIJQUVPDBRR-VULFUBBASA-N 425.484 5.865 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 9088964 HSNBXIRHSVPVTM-QHCPKHFHSA-N 446.934 5.497 30 40 IKEB C=CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 9095139 CUNYULOBYNDRQS-XHCCPWGMSA-N 449.554 5.379 30 40 IKEB COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)c2c[nH]c3ccccc23)c1OC 9129464 WOOGOCIEDKHGGR-OAQYLSRUSA-N 442.475 5.209 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1C 9262893 NTALXADFGNBOSR-XDHOZWIPSA-N 440.977 6.593 30 40 IKEB CCc1cccc(CC)c1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 9443064 RVLOVHDYKWXUDP-UHFFFAOYSA-N 428.561 5.523 30 40 IKEB O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 12960300 NKAJMJNCVXJYNQ-HPLNABNRSA-N 436.895 5.852 30 40 IKEB C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3c2C1 13133649 XNCFSDXCKWWEHX-VBKZILBWSA-N 445.975 6.560 30 40 IKEB COc1ccc(/N=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)cc1OC 13477996 RGNWKOXWJDMBQD-AFDPEFSASA-N 429.398 6.594 30 40 IKEB O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OC/C=C/c3ccccc3)ccc21 13655312 OCBVDSLODJQWGD-MOURARDWSA-N 433.301 6.158 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)cc3)nc2c1 17096457 HEVHLVJXJRYLGI-HEOQCTJZSA-N 429.476 6.681 30 40 IKEB C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cc2cc(Cl)ccc2o1 33732786 SXILWYLIBFAYQJ-UHFFFAOYSA-N 445.957 5.026 30 40 IKEB COc1ccc(-c2nc(NCc3ccc(Oc4ccc(F)cc4)cc3)nc(O)c2C#N)cc1 40129887 CRRDRCFATBUNTQ-UHFFFAOYSA-N 442.450 5.273 30 40 IKEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 83333316 XUJPLNYHMYEWOT-SIDNSYPESA-N 433.621 6.470 30 40 IKEB CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(c3ccccc13)CCCC2 100690473 ZXRJZXYVPWVEIT-PMERELPUSA-N 437.712 7.995 30 40 IKEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OC(F)F 101284796 SZGZIWUUEJACFQ-IBGZPJMESA-N 434.487 5.072 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O 101650378 MQLYADJYKHEJQJ-IHIJCHFRSA-N 440.327 5.031 30 40 IKEB O=S(=O)(c1ccc(/N=C\c2cccs2)cc1)c1ccc(/N=C\c2cccs2)cc1 104203677 ATGSMFVSXNRYQU-MPKYGIEOSA-N 436.583 6.144 30 40 IKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccc2ncccc2c1 137739276 WWHMSTXSHBXWKB-LGJNPRDNSA-N 438.756 6.809 30 40 IKEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1 408778605 IJZMIEZORSJQMH-LPYMAVHISA-N 430.289 5.458 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O 409005095 ZCUCOQPWNBZHKT-ZHZULCJRSA-N 435.476 5.629 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1C 409200041 FTGPTBAHHWUIQO-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2ccccc2C)cc1 409211459 NIONUCQSBDLTQU-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409215243 VYZVKTOOYPFKDA-MZJWZYIUSA-N 436.939 6.042 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1C 409215664 DCLBDXRJQSIDBE-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB COc1ccc(C(=O)c2sc(Nc3cccc(C(F)(F)F)c3)c(C#N)c2N)cc1OC 658786 JPTVSUSNRFIJDA-UHFFFAOYSA-N 447.438 5.213 30 40 IKEB CN(C)C(=O)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 780586 RBCPANXRVAUJOK-UHFFFAOYSA-N 437.536 5.147 30 40 IKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)nc2c1 786907 DUKSNQNLIPSAII-UHFFFAOYSA-N 436.751 6.106 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 820510 QPHQPYVLDBBADF-LJQANCHMSA-N 432.358 5.005 30 40 IKEB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1782386 CDRHUFSCBSMTOQ-OMDQHUAHSA-N 445.382 5.558 30 40 IKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nc2sc3c(c2c1=O)CCCC3 2388164 AOTOVFXUBDUZOJ-UHFFFAOYSA-N 437.417 6.122 30 40 IKEB O=S(=O)(/N=C/c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 3028408 LSAMVLKQPXGBON-ZVHZXABRSA-N 433.360 5.360 30 40 IKEB Cn1nc(C(F)(F)F)c(COc2ccc(C#N)cc2)c1Oc1cccc(C(F)(F)F)c1 3049207 ZFHBZMJGAOGFFG-UHFFFAOYSA-N 441.331 5.701 30 40 IKEB CC1=C(c2ccccc2)C(c2ccccc2)=C(C)C1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5340131 PTRRVKFDHBZPGW-UHFFFAOYSA-N 440.459 6.232 30 40 IKEB C[C@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1 9634395 FFZKFMIQVLCTMD-SNVBAGLBSA-N 443.281 6.264 30 40 IKEB O=C(CC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc([N+](=O)[O-])cc1 10034869 KGTSMVUHXKZJHA-UHFFFAOYSA-N 429.457 5.167 30 40 IKEB Clc1ccc(N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nn1 12577948 CBTPHXAORJIKFJ-JVWAILMASA-N 444.922 5.734 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H]4CCCc5c4[nH]c4ccc(C)cc54)[C@H]3C[C@@H]12 12864207 LJQXLSPSQISBRZ-GARWDRJTSA-N 432.608 5.758 30 40 IKEB biogenic COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 12951741 PVCQIYANENDXBU-HPLNABNRSA-N 436.895 5.981 30 40 IKEB COc1cccc([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c1OC 13567937 QJAVAHWLFPIXFY-KRWDZBQOSA-N 425.912 5.193 30 40 IKEB C/C(=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(OCc2ccccc2)cc1 13893634 HPAOCGFJUZYEFB-YZSQISJMSA-N 444.516 6.133 30 40 IKEB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=N/Nc2nc3ccccc3s2)cc1 13942258 UPIASSOMIORTSM-BUVRLJJBSA-N 448.504 5.417 30 40 IKEB COc1ccccc1NC[C@H](C#N)c1cc(Br)ccc1OCc1ccccc1 26895938 UENICOVUNMVJCT-SFHVURJKSA-N 437.337 5.756 30 40 IKEB COc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccccc1C#N 34897890 DQLNDXMLRMYHRL-UHFFFAOYSA-N 445.382 5.070 30 40 IKEB O=C(O)c1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 59503600 QQGYUCJLFFYXDO-DHRITJCHSA-N 435.888 6.223 30 40 IKEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 102799492 OHNABPLQJBPFML-MRJHHRETSA-N 448.544 5.292 30 40 IKEB COc1ccccc1/N=C1\SCCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 103032972 WJQBTRQHJWKXAD-NPZTXGTLSA-N 433.577 5.568 30 40 IKEB Clc1ccccc1/C=N\c1ccc2c(c1)Cc1cccc(/N=C/c3ccccc3Cl)c1-2 104391471 IFDIJGNHMUAIRO-RQCICOGXSA-N 441.361 8.066 30 40 IKEB CC(C)N1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C 260569723 ROMDTCNGUVCSEB-LJGKHRNASA-N 425.489 5.450 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)S/C1=N\c1ccccc1 408866617 HLDDIBDFEFZNDB-IDSCKFSESA-N 449.620 6.453 30 40 IKEB COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N([C@@H](C)c2ccccc2)C1=O 408912861 RSHQUKBWATXOIX-QVGARYPSSA-N 448.975 6.714 30 40 IKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccccc1Cl 409121768 WHSCNQXSSQGREL-UHFFFAOYSA-N 435.995 7.221 30 40 IKEB COc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 409200494 HPWHOVZBIQEJHZ-DHRITJCHSA-N 444.300 5.935 30 40 IKEB CN1CCc2c(sc(/N=C/c3cn(CCOc4ccccc4)c4ccccc34)c2C#N)C1 409207874 BVAZTASOQGRRRY-LQKURTRISA-N 440.572 5.392 30 40 IKEB Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 409212673 ROYDHTYUCYOOJK-JVWAILMASA-N 449.959 6.628 30 40 IKEB C=CCc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OC)c1OCC 409402646 IOYGKFVZWMTABB-UHFFFAOYSA-N 439.515 5.082 30 40 IKEB Cc1cccc2oc(-c3cccc(/N=C/c4cc5c(cc4Br)OCO5)c3)nc12 1435266 RSLLSCWFXRVFTQ-BHGWPJFGSA-N 435.277 6.045 30 40 IKEB O=C(Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1-c1ccccc1)c1ccccc1 3262764 OXEFQYACCKRTBE-UHFFFAOYSA-N 441.346 6.895 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 4080050 IENZLPCPVYGBNZ-PUAOIOHZSA-N 435.354 6.973 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 8430522 PNGNWPJWZXHUKW-JCQPUDPBSA-N 441.383 7.034 30 40 IKEB CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2[C@@H]1c1ccc(F)cc1 8965003 BTMOUTKVMTXKRI-GOSISDBHSA-N 440.927 5.774 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 9008750 XTXKQCXRYHKGAZ-IBGZPJMESA-N 438.936 5.505 30 40 IKEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)o1 9291752 RFGYULNXBKUNBG-RPPGKUMJSA-N 441.472 5.973 30 40 IKEB O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 9486218 XPGHZIMFXBSDLN-JAIQZWGSSA-N 447.295 5.377 30 40 IKEB N#Cc1cccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1 9584120 VZAKXLBXBGTEHZ-UHFFFAOYSA-N 426.910 5.207 30 40 IKEB Cc1n[nH]c2c1C1=C(C(=O)[C@H](C(C)(C)C)C[C@@H]1C(C)(C)C)[C@@H](c1ccc(N(C)C)cc1)N2 16265958 JVUXTMQBVQQAIR-YCRNBWNJSA-N 434.628 6.002 30 40 IKEB O=C(NC1CCCCC1)c1c(/N=C\c2cc([N+](=O)[O-])ccc2O)sc2c1CCCC2 16385659 JUEDOQUYRKQPSB-QRVIBDJDSA-N 427.526 5.054 30 40 IKEB O=C(Nc1cccc(/N=C/c2cccc([N+](=O)[O-])c2O)c1)c1ccccc1Br 16449353 KLVMKARCEKLNGH-WSDLNYQXSA-N 440.253 5.066 30 40 IKEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102607560 KKJNQEZOLFNTKR-MOBKVPTQSA-N 435.907 5.678 30 40 IKEB C#CCOc1c(CC=C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC 408902628 OZOHUBRPGDDLOL-LTGZKZEYSA-N 435.570 5.232 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 408911931 PANIJJZTEYNCCK-STWUOGDHSA-N 427.573 6.118 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2c(F)cccc2Cl)C(=O)N1C1CCCCC1 408915725 ZPWQZIVIWVRYEP-VBMYQUNLSA-N 442.987 6.978 30 40 IKEB COc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 408965478 HWJLRISYFIXLPB-BRJLIKDPSA-N 439.851 5.075 30 40 IKEB C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC 409073280 LVGBAKWGTJUZHI-UHFFFAOYSA-N 434.532 5.507 30 40 IKEB CC(C)c1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1 409096721 KKFQXXINAQBPIG-DJKKODMXSA-N 444.110 5.633 30 40 IKEB C=CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 409209042 FDGBGFBMFVVJRH-PCLIKHOPSA-N 438.321 6.565 30 40 IKEB O=S(=O)(Oc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 409210011 JBGHMGIDVWKVQZ-LGUFXXKBSA-N 429.497 5.997 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409210829 GWPJLSGIXKIJBB-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc2ccccc12 409214360 XPUISYKIZIERRI-MUFRIFMGSA-N 429.947 7.448 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 409215881 GBRMUBSMBHLCBK-ZMOGYAJESA-N 439.309 6.304 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(Cl)c2)cc1C(C)C 409308849 YUMMHZDNGISGMR-UHFFFAOYSA-N 445.950 6.040 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 409402632 IKLCMJSFOJFCDN-UHFFFAOYSA-N 431.495 5.525 30 40 IKEB COc1c2c(cc3c1[C@@H](C/C(C=C[C@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 2042787330 SVSPODGIYWQUSW-ZYNIIZSBSA-N 426.557 5.112 30 40 IKEB biogenic O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 710780 WUMXPTFQJQQTPD-IQMFZBJNSA-N 440.490 6.746 30 40 IKEB N#Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Sc1ccc(Cl)cc1 3104500 CPTPRJSDJXOEAK-UHFFFAOYSA-N 432.854 6.634 30 40 IKEB C=CCNC(=S)N/N=C/c1ccc(OC)c(COc2cc(C)c(Cl)c(C(C)C)c2)c1 8783150 HKFWGPJOWGBWNJ-LGJNPRDNSA-N 446.016 5.343 30 40 IKEB COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl 8811867 QFXPKCNMTISZAM-RPPGKUMJSA-N 449.765 6.358 30 40 IKEB COc1cc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(C)cc3)cc2)cc(OC)c1OC 11868049 ZSEHRJAFDSMNJB-NTEUORMPSA-N 432.472 5.136 30 40 IKEB Cc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 12125086 DRQXGNCDEPIHFF-DAMKXSJNSA-N 437.952 5.318 30 40 IKEB CCN(C/C=C\C#CC(C)(C)C)Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1 13513559 KIRGLCXNEVICOG-VURMDHGXSA-N 449.685 7.483 30 40 IKEB CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OC(=O)CC 13564279 LFZQYYVEXVTYBC-AREMUKBSSA-N 441.527 6.118 30 40 IKEB CCCCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1nc2c(Cl)cccc2s1 16639069 SKSDCHASVYFOLE-ACQXMXPUSA-N 449.359 6.317 30 40 IKEB CNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 21722386 UPRZMAGQQCKCLP-NSYGIPOTSA-N 443.503 5.002 30 40 IKEB Cc1ccccc1CSc1nnc(/N=C(\O)c2sc3cc(F)ccc3c2Cl)s1 27750314 FNFWLXVAHQQESR-UHFFFAOYSA-N 449.985 6.782 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 97954760 BLHZPASSVJSCEE-UHFFFAOYSA-N 443.526 5.452 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1 97959768 FGXPVGUXUBIJTC-MOHJPFBDSA-N 436.621 6.934 30 40 IKEB CCCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 102070688 RFYWTVJMIWMGQX-UHFFFAOYSA-N 434.536 6.442 30 40 IKEB Cc1cccc(/C=N\CC[C@@H](S)CC[C@@H](S)CC/N=C\c2cccc(C)c2O)c1O 104373834 BOFCHUFJJKIXGD-ILYLVNGUSA-N 444.666 5.410 30 40 IKEB CCCCCCCCCCCCC[C@H](CCCCCCCCCCC)C[C@H](C)C(=O)O 105406325 JFXBYIDWKXORSN-NSOVKSMOSA-N 438.781 10.335 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)cc2)cc1 244947651 DUORJTVBVQJQNS-QZFRTWIZSA-N 448.691 8.874 30 40 IKEB biogenic C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/N=C/c3ccccc3C(F)(F)F)CC[C@H]12 253528838 FHIHDASURXFVSB-XGHQDHGPSA-N 444.585 7.913 30 40 IKEB CCCCCCCCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1 408538998 DEZXBOCGNZCZSN-UHFFFAOYSA-N 435.608 6.469 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cccc2ccccc12 408589359 LMGCGNCPIHZFRI-ZVHZXABRSA-N 429.436 5.510 30 40 IKEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O 408857275 NLYAPLIFVFBOQT-XGQPYFOESA-N 429.589 6.659 30 40 IKEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C(=O)N1C 408930487 XRMNBCXMLYVHHQ-JHXFIANCSA-N 431.561 5.205 30 40 IKEB Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccccn1 408963964 DXLRITFLUJZPKO-GZTJUZNOSA-N 443.359 5.688 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 409039707 RXOSGWXLOORKQA-UHFFFAOYSA-N 438.524 5.006 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 409092340 URKOGDRMIQVQGU-JLPGSUDCSA-N 439.898 6.417 30 40 IKEB C#CCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OCC 409216079 HTXDFJZQZLWMKJ-LPYMAVHISA-N 433.289 5.069 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1 409310457 AITUDLHENVXGDU-UHFFFAOYSA-N 449.352 5.175 30 40 IKEB CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 709669 PNBMOJTYKBKKSI-UZTOHYMASA-N 426.516 5.770 30 40 IKEB COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CSc1nc2ccccc2s1 1762133 ICKQDWXVBXZGBR-XMHGGMMESA-N 443.593 6.810 30 40 IKEB C=CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 2117645 ABORCRGVRMHYFP-UHFFFAOYSA-N 430.573 5.554 30 40 IKEB biogenic C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2187588 HVIFNIJXFXKMIU-UHFFFAOYSA-N 436.548 5.660 30 40 IKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)ccc1Cl 3043248 UQMQMVLUAIYLNB-PGGKNCGUSA-N 429.181 6.931 30 40 IKEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 3421208 XENXBMZLNOYUFX-UHFFFAOYSA-N 445.935 5.190 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)o2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4576315 YEWBUPCTTJGMFX-WAIKUNEKSA-N 425.550 5.210 30 40 IKEB C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1OC 8753945 KMTITJPHGVZHBT-UHFFFAOYSA-N 438.940 5.740 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1 8821222 QIXZDVQRUWVRAU-WOJGMQOQSA-N 445.327 6.154 30 40 IKEB COc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 9312246 YEMALLOEYDMFDR-HSZRJFAPSA-N 436.552 5.551 30 40 IKEB Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(OC(F)F)cc2)[n+]2ccccc2)c1 9403867 ZMZATPCDGSUDDQ-UHFFFAOYSA-O 427.496 5.243 30 40 IKEB CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 9805290 ZWOYZOAVXBSZMW-GTYOFVGBSA-N 444.578 7.425 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 12428593 DJKGVNKGUUCLOI-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB CN1C/C(=C/c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1 12604721 KHBXHLSTIOLHQI-VAQFQWRASA-N 447.170 5.193 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(C)n(-c4cc(C)on4)c3C)c12 12688060 SGRBVKQBDGAQEO-VAWYXSNFSA-N 439.519 5.383 30 40 IKEB CCOc1ccc(-n2c(SCC(=O)N(C)C3(C#N)CCCCC3)nc3ccccc32)cc1 13070541 SJLVPQNQLYMVGV-UHFFFAOYSA-N 448.592 5.201 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 14082181 WPHZAYGETGCWGN-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Br)cc3)c2C#N)C1 14273276 OLXMMWPRXUHHNJ-ZDUSSCGKSA-N 447.398 5.551 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ncccc4N23)c(C)c1 16034309 HJULPICYDRMERV-NXCFDTQHSA-N 448.501 5.122 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=N)[C@@H](c4nccs4)C3=O)c2C)cc1Cl 33768303 PJEDWEMBGXMQMM-XTFHTREESA-N 427.982 5.930 30 40 IKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc(Cl)cc(Br)c1O 33909248 ANCLOAMUTAUGAT-AWNIVKPZSA-N 444.137 5.353 30 40 IKEB Cn1cc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c2ccccc21 59514381 CKPNGTWMCSIRQU-WGOQTCKBSA-N 434.507 5.297 30 40 IKEB CCCCCCCCOC(=O)c1c(N)n(-c2ccccc2OC)c2nc3ccccc3nc12 97998517 SNDHUFIRNBSPOZ-UHFFFAOYSA-N 446.551 5.682 30 40 IKEB Cc1cc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)ccc1Br 100101038 RIABNPBZNAIZIF-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CCOc1ccc(/N=C/C(=C/Nc2ccc(OCC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 101581259 FSEDIKOTDROGPS-IHZUZCNTSA-N 431.492 6.248 30 40 IKEB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(Cl)ccc1OCC(F)(F)F 102826869 HXLGWAHSJMMHMR-UHFFFAOYSA-N 433.682 5.158 30 40 IKEB COCC/N=c1/scc(-c2ccccc2F)n1/N=C/C(c1ccccc1)c1ccccc1 103460932 XRTQVRFSFKUXPZ-MOTLUISMSA-N 445.563 5.569 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC 106708475 OIVMMSQIHVZIMH-MOSHPQCFSA-N 443.952 5.848 30 40 IKEB C#CCOC(=O)c1cc(Br)c(OCc2cccc3ccccc23)c(OCC)c1 226325231 ZRGTZPJYIYGNKX-UHFFFAOYSA-N 439.305 5.370 30 40 IKEB CCOc1ccccc1/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408739916 GNCURERMBITARI-SJIPCVTESA-N 442.562 7.961 30 40 IKEB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1C 408963259 YNXKEQAUROEOLO-HYARGMPZSA-N 445.544 5.081 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)S2)cc1 408965280 VFRYDWHUTCJZNX-HYARGMPZSA-N 445.500 5.374 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OCC)c3ccccc23)C1=O 408998213 APNPCCCFWZSJBF-JWGURIENSA-N 445.540 5.782 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 409007717 QMRUAKLBAMXTRB-AFUMVMLFSA-N 446.532 5.077 30 40 IKEB C#CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 409090497 PSWOTNOSGASGKP-ACWMPWAISA-N 444.943 6.161 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1cccc(F)c1 409115708 NSNOTKDWIHAEIE-UHFFFAOYSA-N 425.931 6.716 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1cccc2ccccc12 409118424 ZQOKZNOVFKEZDJ-UHFFFAOYSA-N 437.583 7.467 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OCC 409201979 PKTRWUJTCCOGOK-HYARGMPZSA-N 435.305 5.568 30 40 IKEB Cc1ccccc1/N=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409216784 LLZILANPMIRYBU-FOKLQQMPSA-N 446.246 6.661 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccc(OC)cc1 409327554 UZSFSXHHHBLXGH-QUDFXACQSA-N 440.341 5.228 30 40 IKEB COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC#N 409342114 BPPHWPQKCYRVAO-KGENOOAVSA-N 432.526 5.157 30 40 IKEB C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1 1034730 FXDZKNUOWHTUJT-UHFFFAOYSA-N 446.557 5.646 30 40 IKEB CCCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 2061962 ZZOJAPRQVPDRJP-UHFFFAOYSA-N 428.532 7.096 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3167756 VVDFNFCKGVKPNN-WSDLNYQXSA-N 425.784 5.126 30 40 IKEB CC(C)(C)c1ccc(C(=O)/N=C2\N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 3177554 QEGVOFCGLKLXNS-QYQHSDTDSA-N 448.364 5.591 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)nc1 4048028 SRKMMBAFNGJPOB-PGGKNCGUSA-N 435.242 5.461 30 40 IKEB CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 8951504 JXFOTWYEALWKAC-AFUMVMLFSA-N 438.549 5.688 30 40 IKEB COc1cc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)ccc1OC(C)=O 9433982 QSUKHSAPCDIWRD-VWLOTQADSA-N 429.497 5.487 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 9763869 WHWOLKDIYFNIDC-QGZVFWFLSA-N 445.327 5.541 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC(C)C)cc1 9805263 DLMCFGIKAGDIIT-LGGPFLRQSA-N 438.571 6.762 30 40 IKEB Clc1ccc(CN/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 10118873 HMGQCLYRWBEJBN-XODNFHPESA-N 442.777 6.774 30 40 IKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 10119047 QYINEWALWHGGQO-UVHMKAGCSA-N 449.765 6.358 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(Cl)cc1Cl 13567953 BYLFWEVXMCQIKO-AWEZNQCLSA-N 430.287 5.250 30 40 IKEB Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 15978900 FBAHZRWNPAFDAT-RUDMXATFSA-N 433.485 5.722 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(OC)cc4)c3C)C2=O)c2ccccc21 28182524 IXJXRKKPKRRWBK-YSMPRRRNSA-N 439.511 6.173 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(-c2ccccn2)n1 32893082 VPQVDDYDBCGSRZ-UHFFFAOYSA-N 435.578 5.162 30 40 IKEB CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CO)NC(=O)CCCCCCC 43066580 LGOFBZUQIUVJFS-JWQCQUIFSA-N 427.714 6.666 30 40 IKEB biogenic,in-vitro CCOC(=O)c1c(C)oc2c1/C(=C/NCCc1c[nH]c3ccccc13)C(=O)c1ccccc1-2 100289902 LOORQDQPUJQCAW-QNGOZBTKSA-N 440.499 5.283 30 40 IKEB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(O)=CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C 253535684 IWTDBUXEKPBMLR-IQHLRJQLSA-N 429.604 5.889 30 40 IKEB COc1cc(Cl)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC 408589800 MWQPSIFDJCKPRQ-MUFRIFMGSA-N 442.902 6.906 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3c(O)ccc4ccccc34)cc1)N2 408936449 GLSSUTWJJAVVCN-MZRNCTNESA-N 430.551 7.431 30 40 IKEB Cc1cc(C)cc(N=C2S/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)N2C)c1 408961869 OXMGXFHCAQLONZ-YRXXGERJSA-N 446.528 5.804 30 40 IKEB C=CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1Br 409199519 DINHJXNQNSQTSO-CIAFOILYSA-N 439.147 5.926 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl 409211943 PHORVJBAGPTDQQ-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB C=CCN(CC=C)/C(=N/c1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(C)cc1 585152261 HQHGGBVUQIBVEO-TVKQRKNISA-N 449.623 7.538 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1 870634 WAFOLGULPNKPTP-UHFFFAOYSA-N 430.500 5.402 30 40 IKEB N#Cc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc1 1098631 NAUKMNVUBKJARB-VXLYETTFSA-N 438.270 5.218 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 2300073 GDVIPIGFMFXACN-UYRXBGFRSA-N 435.526 5.348 30 40 IKEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)o1 2406215 ZSDMNPPEFCYRFQ-ODLFYWEKSA-N 425.234 5.186 30 40 IKEB Cn1nc(-c2ccccc2)c([C@H](O)C#Cc2ccccc2)c1Sc1ccc(Cl)cc1 3049330 RTCPWVSNJMWLNZ-JOCHJYFZSA-N 430.960 5.977 30 40 IKEB Cc1ccc(C(=O)C[n+]2c(-c3ccccc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 3187607 ONKWMEJDGBVXCI-UHFFFAOYSA-N 430.531 5.270 30 40 IKEB Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccc6ccccc6c5)nc4c3)o2)cc1 3659575 YYMOEWGKBALMLT-OCSSWDANSA-N 448.909 8.312 30 40 IKEB CCN(CC)c1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 5030922 KSYANNGOWZDSSO-SANMLTNESA-N 433.596 6.077 30 40 IKEB FC(F)(F)c1cccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1 8681169 PADXYYGFOOEZSF-UHFFFAOYSA-N 426.238 6.479 30 40 IKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8820930 DSCMXENZYLYOHL-WOJGMQOQSA-N 448.853 6.510 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)sc1C 9069331 ZSMVMWZZOMPXAK-GOSISDBHSA-N 442.899 5.335 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 9370810 LREHHTWOUITJQE-NRFANRHFSA-N 448.862 5.340 30 40 IKEB N#Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c(F)c1 12428823 VSEWAXUPKGQTOT-UHFFFAOYSA-N 426.234 6.065 30 40 IKEB COc1ccc(CN2Cc3cc4cccc(C)c4nc3S/C2=N/Cc2ccccc2)cc1 12482519 UFPKFUQOEIPEPD-BYYHNAKLSA-N 439.584 6.216 30 40 IKEB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1 12564702 IFTXIOHUBCQHFX-NTCAYCPXSA-N 428.557 6.532 30 40 IKEB CC[C@H]1CS/C(=N\c2ccccc2)N1C(=O)CSC(c1ccccc1)c1ccccc1 13149495 BKZAEAIZWWPNJV-WOLPYFHWSA-N 446.641 6.551 30 40 IKEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(CCCC)cc1 13805026 LQHNEEMCKVRJFD-UHFFFAOYSA-N 436.581 5.117 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccccc2OC[C@H](C)COc2ccccc2)SC1=S 13896357 JQZSDQWCPXHKOE-RHTHQAGFSA-N 425.575 5.168 30 40 IKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1ccc(Br)s1 19861014 MPJRONGLSGYPDW-FMQZQXMHSA-N 434.171 5.247 30 40 IKEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCc1ccccc1 33367983 IBCHAGWGJVJELW-LGJNPRDNSA-N 445.397 5.647 30 40 IKEB Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 44858995 GBDIRQJVQJYWOC-QFIPXVFZSA-N 432.911 5.119 30 40 IKEB CCOc1ccc(CN2C(=O)/C(=N\Nc3ccc(Cl)cc3)c3ccccc32)cc1OC 46085062 AHTCLCDUJVMRQK-VYIQYICTSA-N 435.911 5.110 30 40 IKEB N=C1S/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(=O)[C@H]1c1nccs1 135941479 FJXLOMPOIPDVBT-JQHCICQGSA-N 442.565 6.293 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c1 408591169 IUIADEKSQVXHLN-JFLMPSFJSA-N 446.890 6.531 30 40 IKEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O 408857258 NLYAPLIFVFBOQT-LBLAQESDSA-N 429.589 6.659 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4cccc5cccnc45)o3)S2)cc1 408992995 UJMIMDQMXZHUNH-ZHZULCJRSA-N 443.553 6.179 30 40 IKEB O=C(O)c1ccc(COc2c(Cl)cc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 409070806 ZILADJRVZNYZBC-BHGWPJFGSA-N 445.258 5.929 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1OC 409088014 VOKCNYBUPXRBOS-VLYZUMCXSA-N 442.968 5.927 30 40 IKEB C=CCc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(OC)c1OCc1ccc(C)cc1 409094860 GBDVDKLGYATKPV-CVKSISIWSA-N 432.480 5.060 30 40 IKEB CCCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OC 409199534 DKCCTHIEAYADCB-FYJGNVAPSA-N 439.293 5.238 30 40 IKEB CCOC(=O)c1cc(-c2ccc(/C=N/Nc3ccc(Cl)c(C(=O)O)c3)o2)ccc1Cl 409202143 PINVRNIMKNUDGJ-BHGWPJFGSA-N 447.274 5.574 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 409217464 VRIVABVRGTUGRI-CVKSISIWSA-N 438.365 6.794 30 40 IKEB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C#N)o3)SC2=S)cc1 409342554 DUPBAQWFOILEJB-FYJGNVAPSA-N 431.542 5.290 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 2055226 LXLRCOUHSWCKQG-QFIPXVFZSA-N 427.972 5.820 30 40 IKEB Cc1cccc(C)c1NC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 2087846 XFEOMXUJUXWTTC-MWAVMZGNSA-N 439.437 5.612 30 40 IKEB CCN(CC)c1ccc(/N=C/c2ccc(/C=N/c3ccc(N(CC)CC)cc3)cc2)cc1 2854259 LCKWPSBPFIXAGK-VFIVCBTMSA-N 426.608 6.880 30 40 IKEB Oc1ccc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 4290264 FUFSFVAKTXNFQT-IFRROFPPSA-N 443.153 6.031 30 40 IKEB CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1 8443850 ZQSRUMGIKOTNIK-SANMLTNESA-N 432.564 6.028 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 9272181 WJIGZNABDHCGEH-JOCHJYFZSA-N 433.891 5.522 30 40 IKEB CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 9374792 PYQIFMUZXFIOCF-DEOSSOPVSA-N 442.515 5.039 30 40 IKEB Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9482644 YDEVQCXZQIFRED-SZNDQCEHSA-N 441.314 5.954 30 40 IKEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nc(O)c32)cc1 16953600 IXJRHWWCUQQFOC-HXUWFJFHSA-N 445.544 5.048 30 40 IKEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 20189698 TVDAOTFJPDGLEZ-DEOSSOPVSA-N 434.580 5.120 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OC/C=C/c4ccccc4)ccc3C1=O)cn2C 28182475 OENFZVOFWPXJOD-KJFKEVSESA-N 437.495 5.895 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(Cl)cc4)ccc3C1=O)cn2C 28182503 FFLARXNIEYFXAT-GATIEOLUSA-N 445.902 6.036 30 40 IKEB C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)(F)F)cc1 44088061 HKTXJQWEDLUKFD-UHFFFAOYSA-N 445.293 7.023 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(OCc2ccccc2F)c1 59418049 IHIJPKPYLKDIEW-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB CCCCCCCCCCOC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 100031781 AVOAULNYWBPMPB-UHFFFAOYSA-N 443.500 6.544 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 105057743 XVMHAZHMEYOCJY-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C1=O)S2 253505516 YMDSWPZYGHRYGY-AZUAEAMPSA-N 438.702 8.016 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)cc2)S/C1=N\c1ccc(C)cc1 408907890 PXSYFWHHECFCMI-FUQOYWQNSA-N 442.584 6.506 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408913829 RPXSKONGAJPFQL-UESVEAJBSA-N 429.929 5.959 30 40 IKEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 408917219 PFYYQYUTGCYMCN-VXLYETTFSA-N 448.327 5.251 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)S2)cc1 408955101 WEUKWHKLWUGYGY-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1ccc(Cl)cc1 408979675 NYLPSMKQTHWJNG-UHFFFAOYSA-N 433.939 5.712 30 40 IKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409089236 ZBIYMWZWNKGOPO-WBBAFLOHSA-N 446.572 6.788 30 40 IKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 409093027 YPSMBJHIOOWDOI-NSIKDUERSA-N 441.108 5.651 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1Cc1ccccc1 409168255 PIMUCCHOAHQRBJ-YDZHTSKRSA-N 427.529 5.261 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)S2)cc1 409212723 PYRRBIIEKFJCLG-UNOMPAQXSA-N 444.434 5.866 30 40 IKEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccccc2)o1 409290103 QUBLIENNULRFHA-UHFFFAOYSA-N 436.309 5.425 30 40 IKEB C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cc2ccccc2o1 1105594 GHFNJTGZALIEGV-UHFFFAOYSA-N 447.545 5.218 30 40 IKEB CCCCCCCCC/N=C/c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 2268709 JSAPFWVGNMTSIW-AFUMVMLFSA-N 438.519 5.964 30 40 IKEB Clc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 3140694 ISALVHOEWQZBNC-YAGSLNJISA-N 429.350 8.162 30 40 IKEB CCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 4061090 XZEHBYKROOPHBY-XMMPIXPASA-N 437.580 5.565 30 40 IKEB COCCCN1C(=O)/C(=C\c2ccc(Br)s2)S/C1=N\c1ccccc1 8722254 HTFUJRNXZFWFNP-BZIUKXMZSA-N 437.384 5.151 30 40 IKEB Cc1c(C#N)c(NC(=O)CN2CCCSc3ccccc32)n(Cc2cccs2)c1C 9204866 UGKMXHDIMAHVJK-UHFFFAOYSA-N 436.606 5.027 30 40 IKEB Cc1cccc(Nc2nnc(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)s2)c1 32941853 JDMMVGJAZGGZKT-MOSHPQCFSA-N 436.606 5.563 30 40 IKEB COc1ccc(C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 33735845 KRMZCWQIFNPRJZ-UYRXBGFRSA-N 445.471 5.286 30 40 IKEB COCC/N=c1/scc(-c2cc3ccccc3o2)n1/N=C/c1cccc(C(F)(F)F)c1 105762171 OXSPIKVZVXKPHR-DAMHWQJWSA-N 445.466 5.411 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 107740388 CQHPQVWLDHCEAE-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB COc1cc([C@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408730858 JNTQPKJCTFAYHT-AREMUKBSSA-N 442.515 5.408 30 40 IKEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cc(Cl)cc(Cl)c1O 408742919 UCSHEFULNOPKDU-ACAGNQJTSA-N 444.137 5.353 30 40 IKEB COc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1OCc1ccc([N+](=O)[O-])cc1 409089732 JRTVRGRQTCJSMS-VULFUBBASA-N 447.516 5.745 30 40 IKEB N#Cc1c(/N=C/c2cn(CCOc3ccccc3)c3ccccc23)sc2c1CCCC2 409199217 AAKRRIRHIFQKHC-OGLMXYFKSA-N 425.557 6.283 30 40 IKEB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)o2)c([N+](=O)[O-])c1 409207834 AYHOCFHEHIPCTF-SRZZPIQSSA-N 445.456 5.271 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 409212237 OEYBOZLRLMBUSC-ZMOGYAJESA-N 439.309 6.304 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409214574 YHABGNLBXOBLOD-MZJWZYIUSA-N 437.923 6.383 30 40 IKEB Cc1cccc(COc2ccccc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409400643 AHZXYGHGWSYUSB-UHFFFAOYSA-N 445.522 5.833 30 40 IKEB COc1c2c(cc3c1[C@H](C/C(C=C[C@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 2042787328 SVSPODGIYWQUSW-FRUYYLASSA-N 426.557 5.112 30 40 IKEB biogenic O=C(C[C@@H]1S/C(=N/C2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccc(F)cc1 1098959 YKRFKKVQHCNZTG-FXFSXJFASA-N 431.577 5.120 30 40 IKEB COc1ccccc1/C=C/C=C1\Oc2cc(OCc3c(F)cccc3Cl)ccc2C1=O 2411656 QBXJVZOFNGZRQZ-MBUAGSHXSA-N 436.866 6.239 30 40 IKEB COc1cccc(/N=C(\C=C2N(C)c3ccccc3N2C)SCc2ccc(C)cc2)c1 2619115 WGYCIRSKDDMZLC-IMVLJIQESA-N 429.589 6.395 30 40 IKEB C=CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 8396221 JSSQYXQFNYPZFV-UHFFFAOYSA-N 432.347 5.601 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)COc1ccc(C(C)(C)C)cc1 8400083 GAIDUIGUDXJTBM-UHFFFAOYSA-N 431.705 7.960 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3Cl)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 8442315 BYXZAQQCRJRABN-CYXNTTPDSA-N 449.941 5.933 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\C=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C 8456770 RHQRPBLOUIICFI-LFELVLOKSA-N 445.500 6.169 30 40 IKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O 9450559 AELSKUVTZRNISM-IZVPMIMASA-N 428.415 5.368 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc2sc(C)c(C)c2c1=O 13513308 NHYUOJUKPZJWPQ-UHFFFAOYSA-N 435.574 5.145 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)c2C#N)C1 17098366 SQNXLBNMMMSKFA-VZUFXWRPSA-N 433.404 6.729 30 40 IKEB N#Cc1ccc(-c2ccc(OC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2)cc1 22019844 VEQGIZDEEJVLKT-UHFFFAOYSA-N 443.480 5.011 30 40 IKEB CCc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1 32984386 JDJOYNANJLOYEK-UHFFFAOYSA-N 441.911 5.691 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)SC1=S 40006208 WZKUWDSPMAERSL-DEDYPNTBSA-N 429.538 5.191 30 40 IKEB CCCCCCCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 100166341 GJFPSZBVNADEQP-XTCLZLMSSA-N 427.545 6.569 30 40 IKEB C=CCNC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 100825746 BIPIQBZJHZFACR-SCDSTIRESA-N 432.545 5.021 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NC(=O)Nc1ccccc1OCC 103840313 ORBZZXKRZWGZCK-UHFFFAOYSA-N 446.676 7.995 30 40 IKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)ccc1F 408787056 QDXQHFLNXKHPFZ-FSJBWODESA-N 432.280 5.897 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 408907862 PNMZIZISIOQKJX-HBPDIUARSA-N 439.540 5.954 30 40 IKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C2CCCCC2)C1=O 408909482 DCDJRMJZHRJWTJ-KWPJTZOTSA-N 434.605 6.721 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl 408935913 FDDKXLPPMMWZPV-WKSIQMIZSA-N 428.963 7.316 30 40 IKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1I 409053095 KLPDTZVVTCDLSF-FXBPSFAMSA-N 447.297 5.157 30 40 IKEB C=CCOc1c(I)cc(CNc2ccc(C)cc2C)cc1OCC 409121229 TUVLHBIJBQOBRB-UHFFFAOYSA-N 437.321 5.484 30 40 IKEB CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 709667 PNBMOJTYKBKKSI-XHCCPWGMSA-N 426.516 5.770 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(Cl)cc1 1794181 PWXUTGAJAPLZBT-UHFFFAOYSA-N 444.943 5.915 30 40 IKEB COc1ncnc2c1N=C1CC(C)(C)CC(N/N=C/c3ccc(Cl)cc3Cl)=C1S2 1957934 BSVRELIEJXKACP-YCPBAFNGSA-N 448.379 5.626 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1CC 2081788 ZLIKNLUFMVQUGZ-NMRWETQTSA-N 447.003 7.273 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O 2260457 RGFJLHSGFCIJKQ-JYAWBRCSSA-N 439.581 5.037 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 2626101 BNECKOINJCNNCK-UHFFFAOYSA-N 441.988 5.208 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 3846862 NVFBLCBUSIGTCH-PZWVWVFKSA-N 444.637 5.681 30 40 IKEB Cc1cccc(N/C(S)=C(/C(=O)c2ccc(OC(F)F)cc2)[n+]2ccccc2)c1C 9403311 NQOMDFYTMPVXAK-UHFFFAOYSA-O 427.496 5.243 30 40 IKEB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/Nc1ncnc2sc(C)c(C)c12 12532657 IRMIJFSGWQTJLT-ZNLRHDTNSA-N 428.924 5.100 30 40 IKEB C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 15084773 GROROKZJBYQEDS-MRXNPFEDSA-N 435.501 5.161 30 40 IKEB O=C1/C(=N/Nc2ccc(F)cc2)C(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 18066734 KMEYMSQDMVWWCJ-XAYXJRQQSA-N 441.491 5.168 30 40 IKEB C[C@H](NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1ccccc1 20551333 MXKVYUBQYKKLMX-STPJHCLOSA-N 437.337 5.456 30 40 IKEB O=C1CCCC2=C1C(c1ccc(OCc3ccc(Cl)cc3)cc1)C1=C(CCCC1=O)N2 32116843 MIUBVSHHHXVZMF-UHFFFAOYSA-N 433.935 5.620 30 40 IKEB N#CCCn1cc(C(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 57373593 DZJQAODQUJZJTC-GOSISDBHSA-N 428.561 5.227 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=C3\S/C(=N/c4ccc(C)c(C)c4)NC3=O)c2C)c1 59427036 ZAQMGYKLTPGWBW-OYKKKHCWSA-N 429.589 6.219 30 40 IKEB CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(O)cc3)cc2)cc1 59608438 BNVZUAQPHULZSN-UHFFFAOYSA-N 446.587 7.798 30 40 IKEB C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 89904487 MKEZSPQIFMKQBD-ZDUSSCGKSA-N 445.375 5.366 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NCc1ccc(C(C)(C)C)cc1 100285341 QRGBGXFVUZSUBB-UHFFFAOYSA-N 429.733 8.862 30 40 IKEB C/C(=N\c1cccc(Br)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643567 LYMBLZFDQYATAP-MFKUBSTISA-N 433.305 5.600 30 40 IKEB CCNC(=O)O/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@@H](OC(=O)NCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118926872 ODSCMQMBEHYDCG-RIWBMCERSA-N 445.604 5.166 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1OC 408739216 UFWKKSCXSWSWPC-NDENLUEZSA-N 430.957 5.728 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 408961311 RJBPONOKFCDIFH-SIFMURAYSA-N 443.572 5.992 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)(C)C)cc1 408963947 BHOGDHFLTMQDCZ-ZVHZXABRSA-N 435.484 5.654 30 40 IKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c1C 408997849 OIHNZKGPACKYCE-UVHMKAGCSA-N 430.577 5.243 30 40 IKEB Cc1ccc(C)c(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)c1 409014560 MZCRLRJVUIWGPK-FYTLUAJBSA-N 442.628 7.692 30 40 IKEB O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2CCc1ccccc1 409040972 ZHCZMWYDPGAYOK-UHFFFAOYSA-N 442.515 5.251 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 409072793 LCANGBHPTBNMBG-LICLKQGHSA-N 438.307 5.934 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc4c(cc3Br)OCO4)c2C#N)C1 409081272 KGDONHZMGVZKNB-OKYTWDAHSA-N 445.382 6.013 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)nc1 409096501 KIXHJYCIOJMATM-YPXUMCKCSA-N 440.252 6.432 30 40 IKEB Cc1ccc(/N=C2/S[C@@H](Cc3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 409149342 CAZWPTZKOPMNOL-HZNCDDNJSA-N 441.556 5.250 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409200104 GPJPULCZFMQPRI-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB Clc1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)c(Cl)c1 409201175 MEDJGNBJAHDBMC-RHANQZHGSA-N 448.349 8.115 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(Oc4cccc(Cl)c4)cc3)cc2)cc1 409221598 SQRLLLRCXFOHSJ-MTDXEUNCSA-N 429.972 8.343 30 40 IKEB CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 409316369 YQMASUBKBUYJBM-IWIPYMOSSA-N 429.541 6.157 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2403345 JFLGUCIZCUDVPR-UHFFFAOYSA-N 436.943 5.937 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC 2452994 GGEXEBLUSMERTJ-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB Clc1ccc(/C=N/OCc2nnc(-c3ccccc3Br)o2)cc1Cl 2625852 SOZCJOGLKRJTAK-DNTJNYDQSA-N 427.085 5.357 30 40 IKEB CCCCCCCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8425690 ZBQXCSRSUCMDQH-UHFFFAOYSA-N 436.666 5.627 30 40 IKEB CCOC(=O)Cc1ccc(/N=C/c2ccc(N(CC(C)C)CC(C)C)c([N+](=O)[O-])c2)cc1 8855049 IGZUHXJOCCNLEQ-CVKSISIWSA-N 439.556 5.569 30 40 IKEB COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)c1 8926455 OLBCKYDERUTZPG-CYXNTTPDSA-N 449.485 5.119 30 40 IKEB COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc(OC)c1OC 9972237 VOONULXUNBRPOD-BZQUYTCOSA-N 446.503 5.285 30 40 IKEB CCOc1cc(/C=N/NC(=S)Nc2ccc(SC(F)F)cc2)cc(Cl)c1O 13076208 PCTDYRDEWUSBBX-ZVBGSRNCSA-N 431.917 5.080 30 40 IKEB C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 13114908 GWKHTAVDCJCUSM-KRWDZBQOSA-N 445.592 6.332 30 40 IKEB CC(C)c1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1 13503479 JSSCUAIECICLLB-UHFFFAOYSA-N 429.467 5.979 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccc(F)cc2)cc1 13551463 FNUUFYIDPPKJOL-ZCYQVOJMSA-N 445.450 5.541 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1cccc(C)c1 16185221 PWSNUJZHQPHOLE-YJOHERITSA-N 444.025 6.423 30 40 IKEB N#CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1 16427899 SHEKNWDYCILSRO-JVWAILMASA-N 430.508 5.411 30 40 IKEB CCN(CC)CC(C)(C)C(=O)/C=C\c1ccc(/C=C\C(=O)C(C)(C)CN(CC)CC)cc1 17174736 RHKBXWCHOOPPSM-CLFAGFIQSA-N 440.672 5.587 30 40 IKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccccc2)c(Br)c1 20761370 OOVOBJDAKJQZFE-ZVHZXABRSA-N 425.326 5.160 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c2cc(OC)ccc21 28182583 FTMMHWDWTOONII-ZRGSRPPYSA-N 443.474 6.004 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1C 59194501 JASZAWDKPVWDSQ-MFKUBSTISA-N 431.517 5.669 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccc(Br)cc3)sc2-c2ccccc2)cc1 59463812 UPKBRLRFYNLUJR-MFKUBSTISA-N 433.374 7.299 30 40 IKEB O=C(COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1)NCc1ccccc1 98086647 SOMWYUVJROUZRS-VUTHCHCSSA-N 436.511 5.925 30 40 IKEB O=[N+]([O-])C(=C\Nc1cccc(Br)c1)/C=N/c1cccc(Br)c1 100701493 UENBASIZYBEXNQ-SUQUQSPJSA-N 425.080 5.144 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 102709964 CIASECJJAFKZNO-MRJHHRETSA-N 436.895 5.386 30 40 IKEB Clc1ccccc1C(=N/c1ccccc1)/C(=N/c1ccccc1)c1ccccc1Cl 104138541 FUDRBLXBROYOOS-ZUSIYWPSSA-N 429.350 7.935 30 40 IKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O 256454175 XTDMMOAGCXHNPN-MRETXTMBSA-N 442.728 7.738 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)S2)cc1 408753002 KNXRDGUPMJRMNJ-BKUYFWCQSA-N 449.488 5.317 30 40 IKEB Cc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc2n1C 408815856 SPPCWLIHINRANP-JVWAILMASA-N 427.573 6.430 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)S1 408859845 UEUVJAZNMNSETC-UCQKPKSFSA-N 448.519 5.613 30 40 IKEB Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2cccc(Br)c2)n1 409119100 QOFBHTRGISEQMD-NHDPSOOVSA-N 443.326 5.666 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 409151042 FYTQSSBKSCVARP-YDZHTSKRSA-N 444.487 5.513 30 40 IKEB CCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409208068 AOLBVLZFLLULQV-HRJIBFCWSA-N 430.617 7.463 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1C 409212773 QJZAYEVPPWPIPY-DHRITJCHSA-N 428.757 7.049 30 40 IKEB COc1cccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)c1 409336705 VMYZJPARAUDTQL-QTPRHWQCSA-N 433.939 5.116 30 40 IKEB O=C(c1ccc(OCc2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242903 WFRLECUGGZISTH-UHFFFAOYSA-N 430.266 5.917 30 40 IKEB CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC 979665 NPGCYKHHXMQEJR-UHFFFAOYSA-N 437.580 5.409 30 40 IKEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1O 1058949 YUFZRDDYIQQHQI-ZMOGYAJESA-N 436.855 5.418 30 40 IKEB CCCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 5092873 MPBHOJHESNZCEY-MHZLTWQESA-N 432.608 7.094 30 40 IKEB COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Nc1ccccc1 9264190 IMPPQCOCGDBYKU-AREMUKBSSA-N 439.515 5.908 30 40 IKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCCCn2ccnc2)cc1 9308153 GNCZBMIBVFONFQ-UHFFFAOYSA-N 434.547 5.266 30 40 IKEB CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1-c1nc2ccccc2c(=O)o1 9346040 RDTIVKSZESGQRP-HMAPJEAMSA-N 440.480 5.038 30 40 IKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1[C@H]1COc2ccccc2O1 9605893 IIWIDWWVLSOZEH-HSZRJFAPSA-N 443.528 5.105 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 9761098 YBFSTPPEBNMJNU-CYXNTTPDSA-N 433.486 5.418 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3/C=C/c2ccccc2)cc1 10035374 LFSSYFWGTHSGLA-DWEGMBIRSA-N 447.538 6.126 30 40 IKEB N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)s2)cc1 12783780 VQLYVLMYKNHZRD-UHFFFAOYSA-N 444.541 5.172 30 40 IKEB C=C(C)CSc1nnc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)s1 12872208 PMAYXGWAJWGKOJ-IBGZPJMESA-N 441.647 6.295 30 40 IKEB CCc1cccc(C)c1/N=C1\N=C(SC)N(c2cccc(Cl)c2)C12CCCCC2 13739473 ZCRQKZYLNSBKPG-ROMGYVFFSA-N 426.029 7.183 30 40 IKEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 14091496 PAWXILAQNMQNJD-UHFFFAOYSA-N 433.364 5.093 30 40 IKEB Cc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1ccccc1 16282662 YNBRIQFDURCBGP-WYMPLXKRSA-N 443.728 6.119 30 40 IKEB O=C1N[C@](c2ccccc2)(C(F)(F)F)S/C(=N\C2CCCCC2)N1C1CCCCC1 17178368 QXPCMONMGSTKOM-JDFKBJJRSA-N 439.547 6.182 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1 19535733 UXUBQWVFBCBFGT-OAQYLSRUSA-N 447.497 5.795 30 40 IKEB CC[C@H](C)c1ccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 19852354 CFGCPZUVSMONEC-AWEZNQCLSA-N 447.589 5.380 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N1CCCCC1 20218944 BCFUPQDSXPMZRW-UHFFFAOYSA-N 442.777 7.238 30 40 IKEB COc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(C)c2)c1 20887848 IILMSFKOHSOYCA-UHFFFAOYSA-O 433.597 5.640 30 40 IKEB COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccccc1Cl 36046213 QHJRUFUZVRTNLK-UHFFFAOYSA-N 447.966 6.102 30 40 IKEB Cc1sc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c(C#N)c1C 58032892 GANJLAQVKDRTCC-UHFFFAOYSA-N 444.379 5.798 30 40 IKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1 59463669 BEQCZKFPJDPXGY-OEAKJJBVSA-N 430.445 6.044 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@@]21C 118928116 ZJFYDPFCQFKJHC-WMLMAEKHSA-N 430.677 7.740 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 245204312 SGHLRBWIKNDLHE-CMEWOCMCSA-N 429.545 5.684 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c3ccccc32)c1 408541750 FQVONFAAIVOQKP-WGARJPEWSA-N 427.460 5.443 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl 408940354 NVOMMVBBNMJINM-RCUHJWHVSA-N 438.958 6.929 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408965237 JMBDWMNWTJYJFE-ONDHQXCVSA-N 430.957 5.726 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c1C 408965736 IFAHDRHSSPKHCT-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC(C)C)S/C1=N\c1cccc(C(=O)O)c1 409055487 CEMPKANPTNEJIG-RVFNTIOESA-N 444.940 5.449 30 40 IKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 409093191 XZBZGCJCMXLMEJ-CHHVJCJISA-N 441.108 5.651 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409217075 RHTSKHSXXXDBAP-UVHMKAGCSA-N 444.409 6.782 30 40 IKEB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(C#CC#C[Si](C)(C)C)cc2)[nH]1 1772820524 SLWUXWKXTMDXQT-JOCHJYFZSA-N 433.628 5.381 30 40 IKEB COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1O 729456 GNKHAOYTTTZSRO-LFPIHBKWSA-N 448.544 5.450 30 40 IKEB C[C@@H](CCCN(C)C)N/C(=N/c1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 1640917 XXETWMIQCOKGMT-INIZCTEOSA-N 429.395 5.940 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C#N)C1 2081835 HGVVCJMXERAYRS-INIZCTEOSA-N 442.584 6.647 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 2423687 RKESSTGBNYZSFV-LLVKDONJSA-N 434.380 5.279 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)nc1 4048029 YUFUCZMOZACMNA-PGGKNCGUSA-N 435.242 5.461 30 40 IKEB CCN(CC)c1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 5030889 KSYANNGOWZDSSO-AREMUKBSSA-N 433.596 6.077 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc2c(c1)OCO2 9158058 VBIYYJYYZRDVIF-FBHDLOMBSA-N 438.794 5.043 30 40 IKEB Cc1ccc(S(=O)(=O)/N=C(/Nc2cc(Cl)c(O)c(Cl)c2)c2ccccc2)cc1 15357161 XTKDHLSWFKTYES-UHFFFAOYSA-N 435.332 5.255 30 40 IKEB COc1ccccc1CN/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 20762213 GGCIZZBGWMWISS-STBIYBPSSA-N 430.935 6.205 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](CO)NC(=O)CCCCCCC 95099786 APDLCSPGWPLYEQ-XRABSZPPSA-N 425.698 6.442 30 40 IKEB CCCCCCCCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 102562086 YUSSEUVNFHUYLB-UHFFFAOYSA-N 434.418 6.487 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl 102613899 GRDAQYUSBOMGDQ-JBCNATCCSA-N 438.310 5.928 30 40 IKEB O=C1CCCC/C1=C1/SC(=N/c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 102916758 UQFVZTVHLXGIEC-DQJOUKAQSA-N 437.568 7.055 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)cc2)cc1 198080778 VYYVYIQJGJIFEM-MJDZGMBVSA-N 428.576 7.269 30 40 IKEB C#CCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccc(Br)cc12 226360555 FQFDHBDFWFZYSQ-UHFFFAOYSA-N 430.301 5.916 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(CC)cc4)NC3=O)c2C)cc1 408761787 HOOOXKLGTGPNHD-JLPGSUDCSA-N 445.588 5.947 30 40 IKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl 408936385 FUDCDNAHHZABAY-LNAYXSFYSA-N 442.990 7.706 30 40 IKEB Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cc(Cl)ccc2C)c1 409208670 DLBCHAKBOYCRGR-MUFRIFMGSA-N 442.946 6.878 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2C)S/C1=N/c1ccc(OC)cc1 409239878 RHTHHMFXIDGXPN-XZKXACHFSA-N 431.561 5.727 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Sc2ccccc2)o1 409290744 ATIGPRRYNGVRQC-UHFFFAOYSA-N 429.545 6.071 30 40 IKEB COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c([N+](=O)[O-])cc1OC 409383165 ZUYVIWJFWZSUSA-WYMPLXKRSA-N 433.376 5.347 30 40 IKEB COc1ccc([C@H](C#N)CC(=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1OC 1755055 BGLSEDCONJOXMS-NRFANRHFSA-N 431.488 5.172 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 1884850 JLWRCZVLHITXIA-FOKLQQMPSA-N 443.753 6.835 30 40 IKEB Clc1ccc(CO/N=C/c2c(Sc3ccccc3)nc3sccn23)c(Cl)c1 3027738 SSFMAYRVFWYPBB-SSDVNMTOSA-N 434.373 6.405 30 40 IKEB O=C(c1cc(Br)ccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cc2ccccc2o1 3219113 QHMHFCVYDZWXGM-DNQXCXABSA-N 449.300 6.097 30 40 IKEB biogenic COC(=O)c1ccc(COc2ccccc2/C=N/N=C(c2ccccc2)c2ccccc2)cc1 3247139 DSIIHIQCBBVYDA-TWKHWXDSSA-N 448.522 5.924 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)cc1 4065020 PUBGMKLSHJCVGM-MYUZEXMDSA-N 442.515 5.389 30 40 IKEB COC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N 6136091 VKVJKVSVXVETJW-UHFFFAOYSA-N 429.328 5.859 30 40 IKEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 8996268 DXCFOPCZNVXJEO-QHCPKHFHSA-N 442.515 5.171 30 40 IKEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9433802 FBYPDFQFWBGNMS-IBGZPJMESA-N 428.271 5.365 30 40 IKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1[C@@H]1COc2ccccc2O1 9605888 IIWIDWWVLSOZEH-QHCPKHFHSA-N 443.528 5.105 30 40 IKEB COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)ccc1OC(C)C 13568610 LEZOUGGFQGMRHJ-PKOBYXMFSA-N 439.939 5.140 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1c(-c2ccc3ccccc3c2)nc2ccccn12 13712062 SZIVGTACOXHNSB-CVKSISIWSA-N 442.316 6.373 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(F)cc1 14081659 VHVSOSDORKBQEH-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(C4CCCCC4)cc3)c2)cc1 16043744 XTFSPLAWAJLSRN-VXLYETTFSA-N 439.555 6.891 30 40 IKEB CN(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C#N)cc5)o4)cc3)o2)cc1 16186531 QBSLPPKSFUHMNG-UHFFFAOYSA-N 434.459 5.058 30 40 IKEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 16728812 GDKGJDBCJYJCEA-UHFFFAOYSA-N 442.506 7.029 30 40 IKEB N#C[C@@H](C(=O)CSc1ccccc1Br)c1nc(-c2ccccc2)cs1 26114206 PNVGYNKIMASBKX-AWEZNQCLSA-N 429.364 5.541 30 40 IKEB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N 33918905 AYNZBADDFOWZNC-OEAKJJBVSA-N 442.496 5.387 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)n2)cc1 59387371 VOHKDVCNWNPLCD-BUVRLJJBSA-N 449.557 5.332 30 40 IKEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 97464907 WXWAAZQLYYRCHU-HLTANSAUSA-N 440.565 5.507 30 40 IKEB CCCCCCCCc1c(O)nc(SCCN(CC)CC)n(-c2ccccc2)c1=O 97951639 ADXCWTDXTRJYTB-UHFFFAOYSA-N 431.646 5.275 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)ccc1OC(=O)c1sc2ccccc2c1Cl 100224465 APRWWJYHZJFGBP-CVKSISIWSA-N 435.932 6.923 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)cc1 223554870 MGQKPPDTZBEDTL-BEXDPUPVSA-N 447.648 6.641 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccccc1 408859938 VVEMSJFVKIMMJX-LGCXQFENSA-N 426.585 7.023 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(C)ccc2OC)NC1=O 408870896 VAEMVNOBEPSDIF-HAHDFKILSA-N 428.513 5.060 30 40 IKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c2ccccc21 408914214 TYIYWZASEASPQV-BOSNEQTGSA-N 429.589 6.396 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=N\c2cccc(I)c2)c1C 408967594 RDQUZYVPLSISHO-UCQKPKSFSA-N 428.317 6.012 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccc(Cl)cc1 409112989 HOCZXQMJVXLXOR-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Cl)cc1 409207964 DJNUOMDPUNKODP-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N1C(C)C 409212005 PCQQKTQVTQAHCA-XHFTXJRRSA-N 438.549 5.053 30 40 IKEB N#CCOc1ccc2ccccc2c1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409297418 KNVYBALNWJRJCA-UHFFFAOYSA-N 436.515 5.382 30 40 IKEB COc1cc(/C=N/c2cccc3c(/N=C/c4ccc(O)c(OC)c4)cccc23)ccc1O 671644 LVVWFLKLTXIKCR-DPCVLPDWSA-N 426.472 5.769 30 40 IKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4Br)OCO5)c3)nc2c1 864743 MSLYXSZABPHCDR-BHGWPJFGSA-N 435.277 6.045 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 1450645 SQFGOWVGXSKYLP-OAQYLSRUSA-N 444.512 5.543 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC 2028944 DHDNVEIAQQZEBC-QHCPKHFHSA-N 425.569 5.423 30 40 IKEB COC(=O)c1ccc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 3770475 FSXRBMXJBAXAIR-NEWZVLFWSA-N 442.540 5.146 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@H]12 4023272 HSBSDJNJPQPKOI-QPCYKJICSA-N 429.604 6.003 30 40 IKEB biogenic COc1c2c(cc3c1[C@H](C/C(=N/O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 6262261 DXIVGIUXGUGYMH-JDFKBJJRSA-N 428.573 5.502 30 40 IKEB CCCCCCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(CCCC)C1=O 8431329 UTFLUDCMCRNPOL-QOCHGBHMSA-N 427.589 5.087 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(OC)cc4)c3C)C2=O)c2ccccc21 8992552 IXJXRKKPKRRWBK-CVKSISIWSA-N 439.511 6.173 30 40 IKEB C=CCn1c(SCCC(C)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 9646151 YHYPKZOAYDNWNL-UHFFFAOYSA-N 428.561 5.726 30 40 IKEB C/N=c1\scc(-c2ccccc2F)n1/N=C(\C)c1ccc2ccccc2c1OC(F)F 12565501 SNDGZDLKUIEDSI-IEMYJHBHSA-N 441.478 5.913 30 40 IKEB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/N(Cc1ccccc1)c1ccccc1 12570702 DKHFHVFCBWJIPK-JVWAILMASA-N 435.358 6.528 30 40 IKEB COc1cc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1OCC(=O)O 12926622 OGMYOIRMTYFXIK-QPJJXVBHSA-N 447.270 5.622 30 40 IKEB CC(C)(C)c1cc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc(C(C)(C)C)c1O 18200342 AABBCWMDIMVUNO-XMMPIXPASA-N 447.575 6.280 30 40 IKEB CCOc1cc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)ccc1OCCC(C)C 20797198 VKYJZCSPPZZNRW-RUZDIDTESA-N 433.552 5.738 30 40 IKEB Cn1cc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 28182509 LCLAOJOKGFXBDV-MYKKPKGFSA-N 433.866 6.166 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O 34379249 NVHYTASQZUFVJY-YGAJUMRDSA-N 444.398 5.392 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 97944894 AEJZAJVMVNMUQD-UHFFFAOYSA-N 435.590 5.643 30 40 IKEB CCOC(=O)c1ccc(/N=C/N(Cc2ccccc2)c2ccc(C(=O)OCC)cc2)cc1 100042728 WHRPFDOAMQIPQF-ZXVVBBHZSA-N 430.504 5.407 30 40 IKEB CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC 100310787 VTIXMGZYGRZMAW-UHFFFAOYSA-N 446.697 9.861 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OC 215106520 LELSYMHRVMNZEU-VXLYETTFSA-N 433.888 5.289 30 40 IKEB C=CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)n1CC)C(=O)O 408634642 SZJQCGPAYARULL-RGEXLXHISA-N 441.940 5.401 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 408672266 NDULEIWDEWXXNE-UHFFFAOYSA-N 438.568 6.497 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)c(Cl)c4)NC3=O)c2C)cc1 408739265 UVODHIDEAPCGIA-UUYOSTAYSA-N 435.980 6.256 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCC)C1=O 408913334 SVQNDJBAUQFRPP-KWPJTZOTSA-N 430.573 6.643 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1Cl 409004729 BOQIENGDBQITNG-LSHDLFTRSA-N 448.266 5.663 30 40 IKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc([N+](=O)[O-])cc1 409083343 AEUSCWQLLSEXAG-MYKKPKGFSA-N 447.373 5.375 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409199254 ARCHBZCOLKGNDQ-AFUMVMLFSA-N 428.757 6.995 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OC)cc1 409202025 NRHLRLCHAISHKT-RGVLZGJSSA-N 425.120 5.536 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)S2)c(C)c1 409215654 CYAMQCQYPRGCIT-NDENLUEZSA-N 442.462 6.474 30 40 IKEB O=C(O)c1ccc(-c2ccc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)o2)cc1 409298907 QDKWHFVQZNHGSY-UHFFFAOYSA-N 441.487 5.285 30 40 IKEB CC(C)(COC(OCC(C)(C)C(F)(F)F)OCC(C)(C)C(F)(F)F)C(F)(F)F 1083807998 QTBSKMMZLORYBI-UHFFFAOYSA-N 436.355 6.085 30 40 IKEB FC(F)(F)CNc1ccccc1OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083811819 UBWOGILNAJXBTK-UHFFFAOYSA-N 437.224 6.103 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 1450644 SQFGOWVGXSKYLP-NRFANRHFSA-N 444.512 5.543 30 40 IKEB N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3Oc3ccccc3)s2)cc1 3323912 QDEOUVOIXCJZRL-UHFFFAOYSA-N 444.541 5.747 30 40 IKEB CCCc1cc(SCC(=O)Nc2cccc(Cl)c2)n2c(nc3ccccc32)c1C#N 9308101 WQUHKYWGWYMDOT-UHFFFAOYSA-N 434.952 5.696 30 40 IKEB N#CCn1cc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c2ccccc21 15229943 XHKQFBYHPFXCHL-LICLKQGHSA-N 427.316 5.363 30 40 IKEB N#Cc1c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c2c1CCCCCCCCCC2 16385126 YAFMFWAWVNNPQQ-UHFFFAOYSA-N 426.391 7.205 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1 16449004 QMQJEKHQXPJWHT-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)cc1 16638609 SVZHPHMWHVHHTJ-YZSQISJMSA-N 448.475 5.839 30 40 IKEB CC[C@@H](C)c1ccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 19852350 CFGCPZUVSMONEC-CQSZACIVSA-N 447.589 5.380 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 59418052 VNINARLJJHQUAM-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB CCCCCCCCCSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 97951139 HJCOIRSTUPFQQS-UHFFFAOYSA-N 429.655 6.934 30 40 IKEB Brc1ccc(/C=N\c2ccc(/N=C\c3ccc(Br)cc3)cc2)cc1 104227167 ABIMDDIMIIGMLZ-GACBQCINSA-N 442.154 6.713 30 40 IKEB N#CC1(C#N)[C@H](c2ccncc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]21 108519643 OXCIYJZVMDHYKH-WXFUMESZSA-N 436.902 5.019 30 40 IKEB CCOc1ccc(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)c([N+](=O)[O-])c1 226362372 FYTKXBWEWGJMRP-FMIVXFBMSA-N 427.416 5.433 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cc(C(=O)OC)ccc3C)c3ccccc32)c1 408543092 OTDMPJQPDUPHKB-RWPZCVJISA-N 440.499 5.322 30 40 IKEB CC(C)(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408911875 OVEVWLQDFOHFNZ-AZHUGQJKSA-N 440.612 6.831 30 40 IKEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)c(Cl)c1 409103838 ZGCLISSXOHSYOL-LSHDLFTRSA-N 448.708 5.259 30 40 IKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC(=O)O 409210361 KLFQUMDHVRWDKX-AFUMVMLFSA-N 425.868 5.745 30 40 IKEB Fc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 409216027 HLUWVJFFTHMGCR-STBIYBPSSA-N 431.894 7.601 30 40 IKEB Cc1ccc(Sc2ccc(/C=N\Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409238293 DCRVHMVQHVHMHJ-MXAYSNPKSA-N 431.439 6.519 30 40 IKEB CC(=O)c1ccc(-c2ccc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)o2)cc1 409308709 YLZOXIICCLZGPZ-UHFFFAOYSA-N 439.515 5.789 30 40 IKEB Cc1cc(Oc2cc(-n3nc(C)c(C#N)c3N)nc(-c3ccccc3)n2)cc(C)c1Cl 632477 SRGLPOQPGOUCAG-UHFFFAOYSA-N 430.899 5.154 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c1 825643 RWZUMZJLXYFMFL-AUEPDCJTSA-N 427.247 5.901 30 40 IKEB CCCCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 2063479 DIROGGFVUDXQJR-MUUNZHRXSA-N 425.572 7.328 30 40 IKEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(C)c4)nc(O)c32)cc1 4793372 IJYDOFLNIGXWJM-OAQYLSRUSA-N 443.572 5.656 30 40 IKEB CCN(CC)c1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 6078500 LWLJPUIMQDIKSN-VWLOTQADSA-N 449.639 5.149 30 40 IKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C(C)(C)C)C3 8432065 JQHKDFZWAHJFST-OAHLLOKOSA-N 440.634 5.885 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 9071254 GSQMNIJJUNRINL-NRFANRHFSA-N 448.544 5.250 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1C 9720661 NTALXADFGNBOSR-UNOMPAQXSA-N 440.977 6.593 30 40 IKEB CC(C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(SC(F)F)cc1 12650435 ILSGGCLLEHRKLD-PVCXERSVSA-N 449.548 5.370 30 40 IKEB N#Cc1cccc(Cn2c(CN3CCCCC3)nc3scc(-c4cccs4)c3c2=O)c1 14242605 MOEWTDMLSRXXEF-UHFFFAOYSA-N 446.601 5.092 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(Br)c1O 16688231 LUGCRIGVRZXROD-YVLHZVERSA-N 447.354 5.062 30 40 IKEB CCc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)c1 32984409 GPBLXYXBFOJHNS-UHFFFAOYSA-N 435.520 5.655 30 40 IKEB Cc1ccccc1-n1c(NC(=O)/C=C\c2ccccc2)c(C#N)c2nc3ccccc3nc21 33330545 FOTKUPGUNLXXJI-NXVVXOECSA-N 429.483 5.406 30 40 IKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)c(F)c1 48252896 FXBUEFUQARJESE-VMPITWQZSA-N 446.305 6.125 30 40 IKEB COc1ccc([C@]2(N3CCCCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 55196355 GCCKQEUVFUTUKS-SSEXGKCCSA-N 435.567 6.252 30 40 IKEB CC(C)c1ccc(S(=O)(=O)/N=C2/C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1 100822168 XBEZSWZEZQMKHC-VYIQYICTSA-N 430.529 5.180 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1 101068690 ZKUISVOJZNRREC-XSFVSMFZSA-N 448.272 5.013 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OCC)c1O 214185296 AMAYZASLYJZJGD-XDHOZWIPSA-N 429.925 5.409 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)c1 223552926 WIHNYTHXMXKKEG-PVFDWLMNSA-N 433.621 6.387 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccccc4C)NC3=O)cc2[C@@H](C)CC1(C)C 223579467 ZNNCPBICYJNVPU-PVFDWLMNSA-N 433.621 6.307 30 40 IKEB C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937258 FWCJROPIBCPUOY-UHFFFAOYSA-N 444.689 6.047 30 40 IKEB O=C1C[C@H](c2ccco2)CC(O)=C1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Oc2ccccc21 226759992 RGXYSKFXYUNLBJ-RKPUJPDHSA-N 442.467 5.708 30 40 IKEB CCCCCCCCCCCOC(=O)c1ccc2nc3ccc4ccccc4c3nc2c1 408722458 ULOWXSNJKJRQTB-UHFFFAOYSA-N 428.576 7.624 30 40 IKEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cn1 408774260 BSFXVNLQGNXNCL-JJFYIABZSA-N 445.304 5.161 30 40 IKEB CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 408784359 BDFGGWSJDWWYRP-CEUNXORHSA-N 445.632 6.154 30 40 IKEB CCOc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1I 408903828 AACDFDLEARWAIT-GIJQJNRQSA-N 430.629 5.002 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1OC 408907918 QFUSDUSSVGMVAV-HNEFAFEWSA-N 430.529 5.508 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408909430 HBXFBJWPZSIDPL-MSXFZWOLSA-N 446.290 5.935 30 40 IKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl 408945124 VXQCNZLOLGWAFJ-VFPNWMIRSA-N 428.963 7.234 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409209974 KDOFUIADOMJODE-BUVRLJJBSA-N 445.924 5.266 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(OCc2cccc(F)c2)c1 409400636 AGKWCUKHHSYAIR-UHFFFAOYSA-N 449.485 5.664 30 40 IKEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)ccc1OC(C)=O 717358 WODUYBBJFUQHIG-XMMPIXPASA-N 442.515 5.369 30 40 IKEB N#Cc1ccccc1Sc1ccccc1CC(=O)Nc1ccc(Cc2ccncc2)cc1 1446229 JYXNQZNZDWTTMR-UHFFFAOYSA-N 435.552 5.876 30 40 IKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 3150260 WYGMAXIDSOKEPI-JRXOJCEHSA-N 448.276 6.581 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C2\CC(C)(C)CC3=C2[C@@]2(O)CC(C)(C)C[C@@](C)(C3)C2)cc1 8385075 QAQUQGOMHJOOAE-RRJWIBSJSA-N 444.641 5.097 30 40 IKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Br)cc1)Nc1ccc3ccccc3c12 9635963 WYQVEHPWYJMRAB-XMMPIXPASA-N 432.361 6.912 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c1O 13476642 VUVUANMPOPCRRK-BHGWPJFGSA-N 433.420 5.190 30 40 IKEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1OCc1ccccc1 13512014 KBRDSYJNSDGBBE-SOFGYWHQSA-N 441.310 6.240 30 40 IKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 13617431 WLVVQLIZCFBEMH-BRMRTEOQSA-N 445.588 5.873 30 40 IKEB COc1ccc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2N=C2CCCCC2)cc1 16043822 JKQUGSPSRAPUBU-IZHYLOQSSA-N 435.549 5.397 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CCCC2 18194005 XAQFJZCPHCWWDZ-JVWAILMASA-N 426.541 6.489 30 40 IKEB COc1ccc(Cl)cc1Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820440 KSHBPWJXTPAVIP-UHFFFAOYSA-N 438.984 6.440 30 40 IKEB C=CCN(C(=O)c1ccnc(Cl)c1)c1nc(-c2ccc(OC)c3ccccc23)cs1 21711084 KPLWBVISLBZMMC-UHFFFAOYSA-N 435.936 5.853 30 40 IKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 32111985 OMKGMMANYWRPAT-UVHMKAGCSA-N 433.294 7.411 30 40 IKEB N#Cc1c2c(nc3ccccc13)CCn1ccc(OC(=O)c3c(Cl)cccc3Cl)c1-2 35615972 UHQRTOCQWASHFB-UHFFFAOYSA-N 434.282 5.657 30 40 IKEB Cc1ccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463770 SXXVMDAPJFFNAS-CVKSISIWSA-N 427.529 7.061 30 40 IKEB C=CCn1c(-c2ccccc2)nn(CN(Cc2ccccc2)Cc2ccccc2)c1=S 59484580 DFRKMCWPCNANKX-UHFFFAOYSA-N 426.589 5.927 30 40 IKEB [N-]=[N+]=Nc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 79036476 FDDCQWPWXJJNFA-JOCHJYFZSA-N 428.448 5.163 30 40 IKEB CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1 100259569 CETBOSDRFADZJF-LTUYXDACSA-N 445.588 6.117 30 40 IKEB Clc1ccc(-c2nc3ccc(/N=C/c4cc5c(cc4Cl)OCO5)cc3o2)cc1Cl 100501518 WQIOQJZAWYMGFX-YCPBAFNGSA-N 445.689 6.934 30 40 IKEB Cc1ccc(-n2s/c(=N/C(=N/c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 100942941 MMPMPNYEMKILJC-VAGFOZCCSA-N 446.579 6.588 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 102876974 TUGQIINDJIIWLG-MRJHHRETSA-N 438.310 5.928 30 40 IKEB CCc1ccc(/C=N/n2c(-c3ccc(C)cc3)cs/c2=N/c2ccc(Cl)cc2)cc1 102960419 PTWXMGDMXSWVNW-REUZPSCBSA-N 431.992 6.855 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)[C@@]1(C)CCC(=O)O 257534104 RPPYCVULPFKBOG-VYMWYTPASA-N 440.712 8.285 30 40 IKEB biogenic O=C1NC(=Nc2ccccc2)S/C1=C\c1cc(/N=N/c2cccc(Cl)c2)ccc1O 408726890 VQMBINXBVHZJAW-GCXSCIGLSA-N 434.908 6.353 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc2ccccc2c1 408750987 VBIVCTOOPXKYKA-WGARJPEWSA-N 428.448 5.177 30 40 IKEB COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC(=O)c1ccccc1 408893580 HAJBUTQPPLVIBH-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB CCCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 408895829 ISKHOQHMAIPLTP-UHFFFAOYSA-N 441.999 6.102 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O 409094710 FQUWEISLYXJJFO-XDHOZWIPSA-N 444.350 5.559 30 40 IKEB CCCCc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1 409203085 UYGIRPUQXSYQMJ-YCJCGMCGSA-N 437.653 6.526 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c(Cl)cc1OC 409229777 UXYJDDNDZKSWEK-ONNNIBOUSA-N 434.920 5.510 30 40 IKEB N#Cc1c(/N=C/c2c3ccccc3cc3ccccc23)oc(-c2ccco2)c1-c1ccco1 409378363 OSILKWUXQKPBLG-OCSSWDANSA-N 428.447 7.728 30 40 IKEB COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)c1 1439856 WZOYIUBDCZQEMK-DWXRJYCRSA-N 430.935 6.328 30 40 IKEB CCCCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 2111131 GMLLHNJKYTUSNS-XEKAQFCISA-N 448.607 5.682 30 40 IKEB biogenic C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 2271074 ZYJRLIUIYRRYRO-SFHVURJKSA-N 438.662 6.477 30 40 IKEB COc1ccc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1Br 3099157 CDZYOJQLALPHTG-WYMPLXKRSA-N 425.257 6.156 30 40 IKEB CCOc1ccc(/N=C/c2c(O)c(OC)cc(Br)c2Br)cc1 3152667 MVSUOYUDICFSPO-DJKKODMXSA-N 429.108 5.075 30 40 IKEB CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCCO4)cc1 4794501 NLVJCYLQMXCHRM-RUZDIDTESA-N 432.564 5.505 30 40 IKEB C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccccc1 9446971 SEWKQVRGQXLBDH-QHCPKHFHSA-N 440.572 5.912 30 40 IKEB N#C/C(=N\Nc1ccc(Br)cc1)c1nc(-c2ccc3ccccc3c2)cs1 11853086 XZPYWJWCOKJINJ-LGUFXXKBSA-N 433.334 6.066 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3c(C)cccc3C)c2c1 11866451 NULNRPMDESNAMX-UHFFFAOYSA-N 441.527 6.932 30 40 IKEB biogenic N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)cc1 12882671 ULJKHIFCZNJIFZ-UHFFFAOYSA-N 440.330 5.083 30 40 IKEB C=CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1OC 15107219 NVRQOZVKJZEARG-MRXNPFEDSA-N 435.501 5.161 30 40 IKEB Cc1ccc(S(=O)(=O)/N=C(/N=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)c2ccccc2)cc1 26787092 IMRKYHVUHWGRED-BYCLXTJYSA-N 448.588 5.319 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@@H]2c1ccccc1 44973588 HUVPILIJOWCQGE-HXUWFJFHSA-N 442.588 5.552 30 40 IKEB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\Nc3ccc(Cl)cc3)c3ccccc32)cc1 46084831 XNILEWLDVRJXJB-OLFWJLLRSA-N 447.966 5.879 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 59105709 QOXWOEPXFXMKFW-ZDLGFXPLSA-N 442.855 5.329 30 40 IKEB O=C(/C(F)=C(/F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 100036470 LHQQPWDNJJTKPI-UPHRSURJSA-N 428.066 5.372 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Br)cc2)cc1)Nc1ccccc1Cl 100391989 ZOVZECAVACQQQS-CFRMEGHHSA-N 443.728 5.871 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C 102799347 OGZVJXQLZSJEIL-SELCWUDQSA-N 442.899 5.179 30 40 IKEB CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 248294843 WHLBCNRCXJZXMF-RTOMLYRKSA-N 428.610 5.320 30 40 IKEB COc1ccc(-c2nc(/N=C/c3cc(OC)ccc3OC)sc2-c2ccccc2)cc1 408722999 PFXNDEYUWVXBTH-WGOQTCKBSA-N 430.529 6.254 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2OCC#N)C1=O 408805500 KTPHKVGPVFQCBO-WXIYXWPHSA-N 432.569 5.643 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1OC 408909739 DUMSJNIZBHZWAP-HNEFAFEWSA-N 436.577 5.949 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)ccc2O)C(=O)N1C1CCCCC1 408915774 ZYKLNTLPHRXCMK-GCXIQGEKSA-N 440.996 6.545 30 40 IKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933581 BKNFMBXIGXRUOA-LQKURTRISA-N 434.967 7.244 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1cccc2ccccc12 409088569 KPKILYUDZFWZOK-IWIPYMOSSA-N 427.500 5.862 30 40 IKEB C#CCOc1ccccc1/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O 409089036 LNVMZPWXFASPRZ-AJGXWLHTSA-N 438.552 5.371 30 40 IKEB Cc1ccc(NC(=O)COc2ccccc2/C=N/c2cccc(Cl)c2C)cc1Cl 409215771 ATFGLXWQRJNSBS-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccn1 409235837 CIRQYGOOGGLFLZ-WGOQTCKBSA-N 428.517 6.299 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3oc(-c4ccco4)c(-c4ccco4)c3C#N)o2)cc1Cl 409388902 XWULUILKLKYNLA-CCVNUDIWSA-N 442.858 7.644 30 40 IKEB CCCC(Nc1ccc(NC(CCC)=C2C(=O)CCCC2=O)cc1)=C1C(=O)CCCC1=O 721597 KIMBWDXRGYKAHW-UHFFFAOYSA-N 436.552 5.263 30 40 IKEB Cc1ccccc1OCCCn1cc(/C=N/Nc2nc3ccccc3s2)c2ccccc21 1849961 UMDKFHHMWCZKTR-WPWMEQJKSA-N 440.572 6.475 30 40 IKEB CCOc1ccc(-c2cc(C(=O)Nc3sc(C)c(CC)c3C#N)c3ccccc3n2)cc1 2084399 JXMDZSSHAKRNCM-UHFFFAOYSA-N 441.556 6.357 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2271894 BXBSLJLRSYAPPY-UHFFFAOYSA-N 442.628 6.373 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)c1C 8886305 NWCLVJQCBKLLNE-VGSWGCGISA-N 449.624 5.671 30 40 IKEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2[C@@H]1c1ccccc1 9348037 FMFNUCYYKLIUEQ-HSZRJFAPSA-N 448.482 5.037 30 40 IKEB N#Cc1c2c(c(Nc3cc(Cl)c(Cl)cc3Cl)n3c1nc1ccccc13)CCC2 9360482 MZWOLAIISKVEMF-UHFFFAOYSA-N 427.722 6.552 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(OC)c1 9480165 WSZFERMTWRRLQB-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCC[C@@H](c4ccc(C)cc4)c4ccco4)[C@H]3C[C@@H]12 12864006 NWVOLYRDQMXQQP-PNXORXKISA-N 447.619 6.014 30 40 IKEB biogenic COc1ccc([C@@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 13567783 IHAPDFSSYZCFFN-SFHVURJKSA-N 449.547 5.185 30 40 IKEB Fc1c(F)c(F)c(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(F)c1F 16449858 GXVAAOMDWPMTKV-OXUBWTJQSA-N 426.772 6.061 30 40 IKEB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N\Nc1c(Cl)cccc1Cl 17107674 RMSMBWQZZQVPFL-HKRLPXIPSA-N 444.233 8.752 30 40 IKEB CCOc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 27017093 IYWMJZGJVOBLCB-CAPFRKAQSA-N 429.472 5.667 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3ccccc3S2(=O)=O)cc1 32984294 LKMHBWYSBBAYCP-UHFFFAOYSA-N 433.529 5.352 30 40 IKEB Clc1ccc(Sc2oc(/C=N/c3cccc4ccccc34)cc2Br)cc1 59678493 ANCADPYPBQMUJV-ZMOGYAJESA-N 442.765 7.751 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@@H]3c3cccc(F)c3)sc2c1 102880075 VFYCESCPIZMDQX-ASBZNUFUSA-N 448.475 5.272 30 40 IKEB CCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 196273370 SEDFXWLCOIDQSL-UHFFFAOYSA-N 437.665 7.416 30 40 IKEB Clc1cccc(Oc2ccc(/N=C/c3ccccc3I)cc2)c1 408552373 SHEGTYGVZGJEBG-LPYMAVHISA-N 433.676 6.488 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1O 408859242 RGNFSMATMMBLFT-RSSVETSYSA-N 436.577 5.974 30 40 IKEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 408915009 WOEYRGYCQVTOHS-HNEFAFEWSA-N 434.561 5.718 30 40 IKEB Cc1ccc2c(c1)C(=Nc1sc3c(c1C(=O)Nc1ccc(Cl)cc1)CCCC3)C(=O)N2 409111836 DDGZORRCHOBNEZ-UHFFFAOYSA-N 449.963 5.914 30 40 IKEB Cc1c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc2n1C 409285608 WHVKJTXQCONXPG-UHFFFAOYSA-N 432.483 5.492 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)c(C(=O)O)c3)c2)cc1C 409383560 WYOCHRDWHYJBOI-ZMFRSBBQSA-N 436.895 5.423 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c1 2453121 ULXRMSDTWKSGHD-PXNMLYILSA-N 442.846 5.268 30 40 IKEB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)c2C#N)C1 2742232 KMVQYZAWHWLFOY-HXOBKFHXSA-N 432.614 6.607 30 40 IKEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(Oc2ccccc2)cc1 3176700 KGUUUCAXUOTFBH-UHFFFAOYSA-N 425.513 5.319 30 40 IKEB Cc1cccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Br)c1 3764747 PMQZGZMVOJZKGH-UHFFFAOYSA-N 433.301 5.799 30 40 IKEB COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)cc1 8917906 KOFWIWVSKFDSOD-ZGNHWWDDSA-N 442.467 5.138 30 40 IKEB biogenic N#Cc1ccc(-c2ccc(OC(=O)CSc3nnc(-c4ccccc4Cl)o3)cc2)cc1 9415022 YRPMJQBUZUWBPI-UHFFFAOYSA-N 447.903 5.626 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccoc1C 9582956 YURDFHNESPVJKY-UHFFFAOYSA-N 432.549 5.415 30 40 IKEB CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2cccs2)nc2ccccc21 9641307 RHDWJWQYVVJPHU-UHFFFAOYSA-N 449.605 5.187 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1-c1ccccc1 9948916 QKZDXHAJYTWYFC-WSDLNYQXSA-N 431.127 6.335 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3c2CCCC3)nnc1-c1cc2ccccc2o1 10681994 BIGHCOMNBBKPBH-UHFFFAOYSA-N 444.560 5.487 30 40 IKEB N#Cc1ccccc1Cn1c(CN2CCCCC2)nc2scc(-c3cccs3)c2c1=O 12865614 CHHHQMHGNFIRBJ-UHFFFAOYSA-N 446.601 5.092 30 40 IKEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)s1 16779345 APMCBNXDEBYPDP-PIGZYNQJSA-N 429.611 5.231 30 40 IKEB C[C@H]1CC/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C\C=C\c1ccccc1[N+](=O)[O-] 17118051 QHSOFLQDNNTTDE-YFDGUIBPSA-N 430.460 6.081 30 40 IKEB COc1ccc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 17167372 HHSWCDIMZGCQOS-GOESLVMASA-N 431.561 6.113 30 40 IKEB C=C[C@H]1C=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@H]12 91297402 PTIHDIXARMLYBE-XDAJTCOGSA-N 438.567 6.257 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)c1O 101018527 GXBZHJOMAWVYEQ-UFFVCSGVSA-N 432.343 5.405 30 40 IKEB CCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525618 QWZCZTUZNTVRGH-UHFFFAOYSA-N 446.291 7.866 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc2[C@@H](C)CC1(C)C 223580426 HNNRSMHXUPIXLI-GLFIFPSUSA-N 437.584 6.138 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c1C 408852431 KUWOWQMCPVPRIP-HAHDFKILSA-N 429.589 6.165 30 40 IKEB CCCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccc(C)cc1 408914005 RZOUUQGWTGIZKN-FTIPTLOASA-N 431.355 5.477 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1Cc1cccnc1 408961623 UCMHGFRCCLIRCP-AIMMPNMZSA-N 440.572 5.486 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c1C 408962676 ZYLGJJRSEIDRDO-HAHDFKILSA-N 429.589 6.165 30 40 IKEB C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 409072756 KWJVQMBKHRFHFO-UHFFFAOYSA-N 449.591 5.445 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc(OC)c(N4CCCC4)cc3OC)cc2)cc1 409094057 CWRHEUWTSCTIIH-OVVQPSECSA-N 432.520 5.856 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 409211384 NBIUELWIVCGKHU-RPPGKUMJSA-N 447.749 6.723 30 40 IKEB CN(C)c1ccc(/C=C2\CCC3=C2S/C(=C2/C=CC=[S+]2)C=C3c2cccs2)cc1 685944412 IWSULYSQTNHRIO-OBGWFSINSA-N 432.659 6.742 30 40 IKEB COc1ccc(/N=C/C2=C(c3cccs3)Oc3ccccc3[C@H]2c2ccccc2C)cc1 2294338 VFZJJXPBAFCJGD-ZOODIOSSSA-N 437.564 7.403 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2391119 SASRTEMTTLUYIA-UHFFFAOYSA-N 446.507 5.012 30 40 IKEB COc1ccc(/C=C2\CC[C@@]3(C[C@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 8761965 LHZZMHLXKOFUGQ-TTZDKDERSA-N 448.559 5.477 30 40 IKEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12 8926857 IBBMSKMQHGJUTR-JOCHJYFZSA-N 435.907 5.108 30 40 IKEB COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1S[C@H](C)C#N 9209122 BLQNXUMHAQWJRA-GOSISDBHSA-N 442.544 5.526 30 40 IKEB Cc1cc2cc3c(nc2cc1C)S/C(=N/C1CCCC1)N(Cc1ccc2c(c1)OCO2)C3 13562192 PPKKKIHENCJCAG-CYYJNZCTSA-N 445.588 5.987 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 13569344 NJBKABMZUCSEPZ-IBVKSMDESA-N 448.526 5.240 30 40 IKEB C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 15084771 GROROKZJBYQEDS-INIZCTEOSA-N 435.501 5.161 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 18195191 XMGNDLKGRYGTTB-BZQUYTCOSA-N 440.524 5.834 30 40 IKEB c1ccc(C(c2ccccc2)N2CCN(N=C3c4ccccc4-c4ccccc43)CC2)cc1 19626214 CUEMNBRDEUBXMQ-UHFFFAOYSA-N 429.567 5.827 30 40 IKEB Cc1ccc(C(=O)/N=C2/C=C(C(C)(C)C)C(=O)[C@](Cl)(C(C)(C)C)C2(Cl)Cl)cc1 26787269 UPSFFMXTMBQMQY-SZJFIWSWSA-N 442.814 6.329 30 40 IKEB COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4sc(C)c(C)c4C#N)c23)cc1 36619151 BUXPMBOJDBDKLA-UHFFFAOYSA-N 444.516 5.578 30 40 IKEB CCOc1ccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1OC 50647522 FDOJQKQQIGJHAO-ZHZULCJRSA-N 437.499 5.875 30 40 IKEB CC(C)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 52634569 KQNCLRAGUGVNOQ-DHZHZOJOSA-N 435.575 5.318 30 40 IKEB Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)c1 59387412 HLAJDEGXAUTYLP-VULFUBBASA-N 447.947 6.437 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cc4ccccc4cc3OC)c(C)c2s1 72228638 FJFPQBXTNBLYIN-MBTHVWNTSA-N 446.576 6.525 30 40 IKEB COc1cc(F)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC 85413361 MQSYXWTUEHCXBE-SANMLTNESA-N 431.507 6.306 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H]1CO1 95676657 NTCFPSIOLPOKNV-GSVOUGTGSA-N 426.119 5.149 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 95913349 RFCPTXGFYWKJJB-DACKGDCOSA-N 442.728 6.997 30 40 IKEB biogenic Cc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650561 ADBHVOUOPKXOLE-DRGFOCDESA-N 429.973 5.362 30 40 IKEB CCOc1cc(COc2c(Cl)cc(/C=N\O)cc2OC)ccc1OCc1ccccc1 408540016 LTGSYMIWCUNLQX-WGARJPEWSA-N 441.911 5.713 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S/C1=N\c1ccccc1 408912273 MTTHUKZYKHKOGF-LBMUFILHSA-N 447.516 6.177 30 40 IKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(Cc2ccccc2)C1=O 408914788 WEYNXANVNYLESV-UINIZAEWSA-N 428.557 6.198 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(N(C)C)cc1 408959651 COWUAGAKCBZMDY-CMEWOCMCSA-N 434.609 5.285 30 40 IKEB CCOCCN1C(=O)/C(=C/c2cc(Cl)ccc2OCC)SC1=Nc1ccccc1 409085708 FOXCZLHSZQUQER-OIBHPTRJSA-N 430.957 5.379 30 40 IKEB CC[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409407237 SVIBLUKUGAXGPR-IBGZPJMESA-N 440.547 5.189 30 40 IKEB C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(=O)O 1570003500 XECNEFSRQDLYQD-RSEDJASISA-N 444.656 6.023 30 40 IKEB CCOc1ccc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c(C#N)cc2c1 907348 LVNUZCJLYMHBNU-UHFFFAOYSA-N 439.540 5.962 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 2183437 NWKPVWRRCIOSHN-UHFFFAOYSA-N 426.651 6.697 30 40 IKEB C=CCn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2222936 BOCFYODNFBMCMG-UHFFFAOYSA-N 442.628 6.455 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(-c3nn(-c4ccccc4)cc3/C=N/Cc3ccccc3)o2)cc1 3206928 UAMJGMFGFWOJIY-MTDXEUNCSA-N 448.482 6.327 30 40 IKEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(-c2ccccc2)n1 4933920 DIDVQQHUMYJCEX-QCZBTCEYSA-N 447.644 6.396 30 40 IKEB in-vitro COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C1=O)cn2C 8993368 IFUWCPPNCLLQCD-BRJLIKDPSA-N 439.467 5.331 30 40 IKEB C/C(=N\OCc1ccccc1)c1ccc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 11103306 BGRLTGLHPSQDTB-TURZUDJPSA-N 426.520 5.169 30 40 IKEB Cc1cc(-c2ccc(C(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)o2)ccc1Cl 12284809 XPTDZEAXBMLZNZ-JXMROGBWSA-N 433.847 6.973 30 40 IKEB CC(C)(C)c1cc[n+](/C(C(=O)c2cccs2)=C(/S)Nc2ccc(Cl)cc2)cc1 13095573 GDEHUWOFOXSHDI-UHFFFAOYSA-O 430.018 6.037 30 40 IKEB CC(C)/N=c1\scc(-c2ccc3c(c2)OCCO3)n1/N=C/c1ccc(C(C)(C)C)cc1 13134253 XWYYLAIKEVDMIJ-UCRJKCCMSA-N 435.593 5.477 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(C(C)C)c(O)cc1C 13306310 JRCSBPUQZUADDP-ZMPCKTLKSA-N 439.606 5.818 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C#N)C1 17095758 VIHRHGHBECSGQB-QMMMGPOBSA-N 428.426 5.719 30 40 IKEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)Nc1cccc2ccccc12 17207195 YCJWVNTWOPIASQ-UHFFFAOYSA-O 437.350 5.488 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1 19314428 SLSZWDXRFHRQPW-RUZDIDTESA-N 445.559 5.433 30 40 IKEB O=C1/C(=N\c2ccccc2F)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 20034401 XANBXDZWZISNGF-WCTVFOPTSA-N 427.523 5.205 30 40 IKEB CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 21721914 FBHFHRWRQHGBFV-AREMUKBSSA-N 431.580 5.138 30 40 IKEB N#Cc1nc(-c2ccc(COc3ccc(Br)cc3)o2)oc1NC1CCCCC1 33324450 VIRUCVIKWYMCNW-UHFFFAOYSA-N 442.313 5.892 30 40 IKEB Brc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 59471647 JURCQCLMERDIMU-FCLXTIGESA-N 429.361 7.026 30 40 IKEB CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN 72400638 WFLJHDLVVWUGGZ-UHFFFAOYSA-N 437.841 10.888 30 40 IKEB in-vitro Fc1ccc(/C=N/c2ccc3nc(SCc4ccc(F)c5ccccc45)sc3c2)cc1 100413611 MWLSFFPGNKUCJN-CCVNUDIWSA-N 446.547 7.771 30 40 IKEB O=C(O)[C@@H](CSC(c1ccccc1)c1ccccc1)/N=C\c1c(O)ccc2ccccc12 104117537 VYRZOJFIXYKXLK-WVVPCBRLSA-N 441.552 5.940 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\S/C(=N\c4ccc(C)cc4)NC3=O)cc21 223510258 JWZSFKAXBTWHTK-OYKKKHCWSA-N 445.632 6.605 30 40 IKEB Cc1nn(-c2ccccc2)cc1/C=C1/C[C@@H](C)C/C(=C\c2cn(-c3ccccc3)nc2C)C1=O 245237666 PTKFOYVJYITOSK-BBBBFTRWSA-N 448.570 6.141 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3ccc(O)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 408531360 LTDUCNORMYMWNN-PZFZXBCHSA-N 434.948 6.471 30 40 IKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 408786101 MBUPILSNBPOICM-FOKLQQMPSA-N 431.717 5.959 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(Br)cc2)NC1=O 408961439 SVNSUFNZENOUMY-UYRXBGFRSA-N 442.382 5.249 30 40 IKEB COC(=O)c1cccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)c1 409087379 CHTPWNSIDHQEQB-UEYIPHHSSA-N 446.572 6.568 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(F)cc1 409112212 BWBODKZGTFNXMT-UHFFFAOYSA-N 439.958 7.106 30 40 IKEB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccc(C)cc3C)cc2Cl)c1 409202094 OUXMATRALNPWFS-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB CCCCCCCCOc1ccc(-c2cc(=O)oc(-c3ccc(OC)c(OC)c3)n2)cc1 1796178 UPWOEDKRSKNQRD-UHFFFAOYSA-N 437.536 6.125 30 40 IKEB C=CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)S/C1=N\c1ccc(OCC)cc1 3019359 HGYGCBBSDLDYLK-NBGSVBRJSA-N 437.590 5.636 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(N2)c2ccccc2C1=O 3257389 LIJJATIVOPBHET-HSZRJFAPSA-N 433.467 5.074 30 40 IKEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccco1)N(C(=O)c1ccco1)c1ccccc1N2 9264370 IZHRCDYDYOIOKV-CPJLOUKISA-N 440.455 5.680 30 40 IKEB COc1ccc(Br)c(/C=N\c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O 16348673 BJONPJXGOYZKPA-MSXFZWOLSA-N 437.293 6.031 30 40 IKEB O=C1CCCC/C1=C1/SC(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 18068355 UQFVZTVHLXGIEC-ZSQRUOPRSA-N 437.568 7.055 30 40 IKEB Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)/C(=N/c2ccccc2)c2ccccc2)cc1 33454658 LDYUNXLGMNCTAS-BYCLXTJYSA-N 435.483 6.329 30 40 IKEB N#CCCN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1cccc(Cl)c1 34863264 YVSKWZKULORQIX-JOCHJYFZSA-N 442.009 5.357 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1cccc2ccccc12 59034415 ARLMYCKPDMCXJD-JVWAILMASA-N 439.540 6.483 30 40 IKEB C#CCOc1c(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC 113855329 WUCNCMKFMOLFAG-FSJBWODESA-N 429.339 5.032 30 40 IKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1F 408596795 UYWIPSFSOWJUMT-CCVNUDIWSA-N 438.886 5.879 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408824574 RDXMBAGQWDRDFF-PDGQHHTCSA-N 429.339 5.214 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4C(=O)OC)o3)S2)cc1 408951409 JDOXESYLHSUNAT-KGENOOAVSA-N 448.500 5.024 30 40 IKEB C=CCOc1cc(Br)c(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OCC 409010442 KNCSLMLPLDKARK-VAKHEIKFSA-N 440.359 5.247 30 40 IKEB Cc1ccc(NC(=O)COc2ccccc2/C=N/c2cc(Cl)ccc2C)cc1Cl 409208724 CURYGFWGGVAILZ-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB Cc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c(C)n1-c1ccccc1C(=O)O 409216839 MARJLERMZNSHLT-LQKURTRISA-N 444.918 6.989 30 40 IKEB C/C(C=Nn1c(C2CCCCC2)nc2ccc(Br)cc2c1=O)=C\c1ccco1 409304456 QWOGERAUKWIEPN-KKZVMNCWSA-N 440.341 5.737 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccccc1 2621894 MSQLKFRKLJETTD-UHFFFAOYSA-N 448.617 5.634 30 40 IKEB Brc1ccc(COc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 3084244 GBAWOZDVGNYAMC-YDZHTSKRSA-N 445.154 6.541 30 40 IKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccc(Br)cc1O 3208170 KHOUUWSCWXZITL-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB CCOC(=O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1 6544783 YXMGRHSZZFWEFN-XMHGGMMESA-N 425.278 5.539 30 40 IKEB CCn1c2ccccc2c2cc(/N=C3/C=C(c4ccccc4)[C@](O)(c4ccccc4)C3)ccc21 12524580 MOUHOLTUVPPVLV-PANXCERGSA-N 442.562 7.262 30 40 IKEB COc1ccc2cc(C(=O)/C=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)ccc2c1 15980172 DQQPJVUFGAORJJ-YCRREMRBSA-N 443.484 5.594 30 40 IKEB Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1C 16362643 CDSLPVZVKDXMAX-PLFABGOGSA-N 429.563 7.950 30 40 IKEB COc1ccc(/C=C/C(=O)c2cccc(-n3cccc3)c2)cc1COc1cccc(Cl)c1 36611183 ABLQFSIARXYYQS-ZRDIBKRKSA-N 443.930 6.614 30 40 IKEB CCSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1 97020912 YRTDAXZICHTWPO-GIJQJNRQSA-N 440.331 5.469 30 40 IKEB CCCCCCCCN(CCCCCCCC)C[C@H](O)c1ccc(Cl)c(C)c1Cl 100691486 NBYJNFIYEYZULS-DEOSSOPVSA-N 444.531 8.358 30 40 IKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(/N=N\c2ccccc2)cc1 100840844 LLUDDHWESILQNA-GZCDXWOBSA-N 430.964 7.704 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 102535539 YFTNJXYEULJUHS-LFVOPCPISA-N 438.936 5.348 30 40 IKEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccc(F)cc1 104134867 HIBCPDDLSNBMJZ-JBCNATCCSA-N 437.854 5.114 30 40 IKEB C[C@@H]1C/C(=C/c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 245237025 CDBOJGPJMRWNAJ-FXUPPKSJSA-N 426.170 7.766 30 40 IKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 408818802 OYCIFFKFZVTZQS-WQRHYEAKSA-N 448.762 6.329 30 40 IKEB CCOc1cc(/C=N\Nc2ccccn2)c(Br)cc1OCc1ccccc1 408859470 XVIDUEJYRQFNFV-OYKKKHCWSA-N 426.314 5.268 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1OCC(C)C 408875293 IUWJFBXFLYPSGH-MTJSOVHGSA-N 444.984 5.974 30 40 IKEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 408906168 ASAJWEGZWIKOLR-SPFAOYRPSA-N 442.540 5.838 30 40 IKEB CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 408907041 GBWQJJRGSXPZAY-SXKXEDTISA-N 426.585 7.175 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c1 408913199 RYBLHTAXMLIBAP-MGFZLMGHSA-N 444.556 6.069 30 40 IKEB CCCCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408914631 VHTTXSBDUUVTEI-QNQNADBQSA-N 425.510 5.316 30 40 IKEB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1C#N 409023066 CLGRGMXCGOVBNC-VXLYETTFSA-N 442.924 5.244 30 40 IKEB C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OC)c1OCCC 409067870 DKLDSKAWZPTHMU-UHFFFAOYSA-N 449.591 5.646 30 40 IKEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409068602 BEQMXRLVUCAMOC-YSURURNPSA-N 435.242 5.461 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccccc1OCc1ccccc1F 409094466 FMBRSWIQNISVGK-RPPGKUMJSA-N 433.361 5.778 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N3CCCC3)cc2)C2=C1CC(C)(C)CC2=O 409211500 OANFSKRRSKTBTA-UHFFFAOYSA-N 446.635 5.992 30 40 IKEB CC[C@@H](C)Oc1cccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1 409292928 GCYYNJXZRZHYPF-GOSISDBHSA-N 437.499 5.869 30 40 IKEB COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1c(Cl)cc(Cl)cc1Cl 2790082 CKOHUIPDZOROKC-QPJQQBGISA-N 443.743 5.371 30 40 IKEB O=C(Oc1cccc(/C=N/c2cccc3ccccc23)c1)c1sc2ccccc2c1Cl 2900059 QKXWMJIMIBYHCF-LQKURTRISA-N 441.939 7.678 30 40 IKEB O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 3063831 PGPFQMGQQHDTEA-QLYXXIJNSA-N 445.733 6.115 30 40 IKEB S=c1n(/N=C/c2c3ccccc3cc3ccccc23)cnn1Cc1ccccc1Cl 3197387 WZLJJSJOBRHVFH-VULFUBBASA-N 428.948 6.304 30 40 IKEB CCOC(=O)c1ccccc1CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 6089624 ZRWZGRDTTMXODI-UHFFFAOYSA-N 448.491 6.170 30 40 IKEB CCCCCCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 8453020 VQEACJSJGZUGLJ-VGYDTZGLSA-N 439.368 5.679 30 40 IKEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2cccs2)n(Cc2ccc(F)cc2)c1C 8936456 ACGLIPLICULNBP-OAQYLSRUSA-N 436.556 5.001 30 40 IKEB Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(OC(F)F)cc2)[n+]2ccccc2)c1 9403306 XMZKHISMXJERTP-UHFFFAOYSA-O 427.496 5.243 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(OCC=C)cc4)Oc4ccccc4[C@H]3C2)cc1 12194246 SIXRAWDDQDJTPY-IAPPQJPRSA-N 438.527 6.059 30 40 IKEB Cc1cccc(C(=O)O/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)c1 12955396 QDGQSHKNHZYESH-JFLMPSFJSA-N 446.959 6.680 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O 13895709 JACQLCOQEXLMCM-KFLOGIKRSA-N 448.588 6.066 30 40 IKEB COc1cc(Br)c(Br)c(/C=N/c2cccc3ccccc23)c1O 16194684 SVEMOPDVUBKINV-UFFVCSGVSA-N 435.115 5.830 30 40 IKEB O=C1C[C@@](OC(=O)c2ccccc2)(c2ccccc2)OC(c2ccccc2)=C1c1ccccc1 16954377 SEBWPFLXZNBMHF-SSEXGKCCSA-N 446.502 6.254 30 40 IKEB CC[C@@H]1CN/C(=N\c2ccc(C(=O)/C=C/c3cc(Br)ccc3F)cc2)S1 18065403 FBAMVIKJFDGUEB-JSNVTFDYSA-N 433.346 5.587 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3Br)C2=C(O)C1 18154557 OWEFIUSTMCYYBI-IBGZPJMESA-N 434.333 6.227 30 40 IKEB c1ccc([C@@H]2C/C(=N\N=C3/C[C@@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 33961010 YRRHIUDRTJZIPK-HICRWKTBSA-N 444.534 6.928 30 40 IKEB in-vitro CCCCCCCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 100863961 NJXMPBSODVQNTN-VWLOTQADSA-N 432.696 8.917 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)S/C1=N/c1ccccc1 208312371 BISLFMSSQZMLDY-CZAKHJNPSA-N 447.648 6.813 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3C)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C 223602757 HZOHQVWGWGMIOZ-QCYAWUEASA-N 447.648 6.696 30 40 IKEB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1C#N 408569991 KMWARNOYLDMLHY-QFIPXVFZSA-N 427.460 5.036 30 40 IKEB CCn1c2ccccc2c2cc(NC(=O)CSc3nc(C)cc(COC)c3C#N)ccc21 408600078 TUSMZQDYVTZEER-UHFFFAOYSA-N 444.560 5.267 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)nc1 408748427 AFIUFVSONVCBDJ-VROXFSQNSA-N 447.329 5.155 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(OCc2ccc(Cl)cc2)cc1 409051244 JQICPZZMNAJZQD-MTDXEUNCSA-N 447.991 7.187 30 40 IKEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 409138409 BIDGNIGPNVDKKQ-LICLKQGHSA-N 437.710 5.305 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccccc1Cl 409174451 UEDMGAWQEPUVJA-WSDLNYQXSA-N 447.947 5.856 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409212137 PKQDOLBJMUYQQU-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 409214384 STRIPKWPBYYXLT-UFFVCSGVSA-N 441.550 5.936 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Br)Nc1ccccc1N2 709508 ASSBIDWZDQGTAA-GKVSMKOHSA-N 445.360 6.429 30 40 IKEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 826318 GDWRIOUHCKMNGU-QFIPXVFZSA-N 441.449 5.417 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 876568 BYOAWBJIXZAHMY-QFIPXVFZSA-N 441.358 5.908 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 2184911 XAJZRDVQUQZTAJ-HAHDFKILSA-N 430.529 5.474 30 40 IKEB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 2320064 FIZRWWQVCBKOJZ-NWIBBQCFSA-N 445.972 5.027 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1 2795941 NQHKQGZIBRBZBL-FQEVSTJZSA-N 446.385 5.396 30 40 IKEB CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 4047866 UXBLMKHKNIFXDS-PPHZAIPVSA-N 443.978 6.386 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 8427018 JTQJGDQENFZYRF-UHFFFAOYSA-N 436.518 7.869 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 8827767 CKBMRUVXIVHHLM-HXUWFJFHSA-N 434.835 5.166 30 40 IKEB CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)cc1 10059453 BCIJUYCKSFDHLO-UHFFFAOYSA-N 425.517 5.057 30 40 IKEB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)/C(O)=N/c1nc(C(F)(F)F)n[nH]1 12736728 QFYBVQLVAZZPEV-SNVBAGLBSA-N 429.752 5.220 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 15826265 MTMYSPZMMJHIKN-VWLOTQADSA-N 442.584 6.513 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)N(C)C 16044216 YTLTURVJDBWTBO-MHWRWJLKSA-N 429.516 5.115 30 40 IKEB N#Cc1ccccc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc34)cc12 16841193 SEQIYKJWBFGWPV-UHFFFAOYSA-N 435.512 5.152 30 40 IKEB COc1ccc(CN/N=C/c2c(C)n(Cc3cccc(C#N)c3)c3ccccc23)cc1OC 20196656 KHPGFPICECQRII-OCSSWDANSA-N 438.531 5.011 30 40 IKEB CCc1ccc(OCc2nnc(Sc3ccc(C#N)cn3)n2[C@@H](C)c2ccccc2)cc1 24758913 RWJQJURBJLDNQS-SFHVURJKSA-N 441.560 5.447 30 40 IKEB Cc1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)c1 26966904 OCEJRXRNENZBJY-ROMGYVFFSA-N 434.952 5.611 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 38800673 JYDNKGUBLIKNAM-CNRMHUMKSA-N 440.712 7.205 30 40 IKEB biogenic,in-vitro CCCCCCCCCOc1ccc(/C=N/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 100886815 SDTKHWMFHXSCKR-HLYLYWOTSA-N 435.608 7.291 30 40 IKEB COc1cccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 102589221 UMQVFVJDTWTEQV-HOGKFDNTSA-N 433.891 5.283 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)SC1=Nc1ccccc1 260567464 LLXXGDVZYMUMOG-GUOZGLPVSA-N 449.620 5.659 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc(C(=O)O)cc4)c3)S2)cc1 408533921 SYFDFMHPWQWNJE-HMAPJEAMSA-N 444.512 5.164 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 408820558 WYSZUDCDYMZUMK-WSDLNYQXSA-N 426.816 5.181 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc([N+](=O)[O-])c1O 408938678 RCBYDLLMIQRFFW-JDTUQCDQSA-N 441.487 5.886 30 40 IKEB COc1cc(/C=N/c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1 408967745 UJOUTOOKVBGRHP-ZMOGYAJESA-N 440.293 5.486 30 40 IKEB O=C(CO/N=C\c1cc(Cl)ccc1OCc1cccc(F)c1)Nc1ccc(Cl)cc1 409375186 GVXKTJFYPUAWDI-ZRGSRPPYSA-N 447.293 5.701 30 40 IKEB Cc1ccccc1-n1c(C)cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1C 409382528 OLVZZGZXMAXEPC-MUFRIFMGSA-N 435.483 7.138 30 40 IKEB Cc1c(/N=C/c2ccc(Sc3cccc4cccnc34)o2)c(=O)n(-c2ccccc2)n1C 3100872 BNGBGZLWMLMVTF-JVWAILMASA-N 440.528 5.527 30 40 IKEB COc1ccc(Sc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 3104543 WGHLTQBJSFIOFC-UHFFFAOYSA-N 429.328 6.277 30 40 IKEB CCCCOc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 8915603 YBODEBHEIYPRLC-PLRJNAJWSA-N 439.555 7.554 30 40 IKEB CCCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2ccc(C(F)(F)F)cc21 12520212 CVLCXEYQWASSSI-DJJJIMSYSA-N 426.508 5.000 30 40 IKEB N#Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 13071097 TYERXZCUZGYGAL-AREMUKBSSA-N 431.495 5.468 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(C)c1 13306167 GPKMHDDTLNBDOW-ZMPCKTLKSA-N 439.606 5.778 30 40 IKEB O=S(=O)(Oc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1)c1ccccc1 14257463 IDRRGLKPSDHCRX-HZHRSRAPSA-N 435.530 5.024 30 40 IKEB COc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2Sc2ccc(Cl)cc2)cc1 16249405 GYXKRROKCQNPKG-WGOQTCKBSA-N 433.964 6.745 30 40 IKEB Cc1cc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1-c1cc2ccccc2oc1=O 16283218 BONPBELQCWJIKW-BRJLIKDPSA-N 434.835 5.786 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 19798392 CBUBAZFLWZEAAB-XMMPIXPASA-N 449.978 5.730 30 40 IKEB C=CCn1c(SCc2cc(N)cc(Nc3ccccc3)c2)nnc1-c1cccc(OC)c1 32109927 SPFFGLJSYYMYCH-UHFFFAOYSA-N 443.576 5.758 30 40 IKEB CCc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3ccc(F)cc3S2(=O)=O)cc1 32950854 RPYNPFGZSBVUPW-UHFFFAOYSA-N 435.520 5.655 30 40 IKEB COc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O 33097103 RTFKJFICWLAVQA-SJRNUSAWSA-N 442.584 6.785 30 40 IKEB CC(C)c1ccc([C@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1 57270722 HNBJZBPADCUIAX-QHCPKHFHSA-N 435.618 5.611 30 40 IKEB CCCCCCCCCCCCCCCC(=O)Oc1ccc(/N=C/c2cccnc2)cc1 68603340 KPTSYQFTUFZRLI-BGABXYSRSA-N 436.640 8.219 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1 97967102 DEGBJJIGYOULQQ-XLNRJJMWSA-N 426.557 6.457 30 40 IKEB CCCCCCCC[C@@H]1S[C@@H]1CCCCCCCC(=O)OCCOCCOCC 100300086 MMBZAEHFMQEQSE-XZOQPEGZSA-N 430.695 6.548 30 40 IKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1Cl 101651083 RSCVEDWESTWIIO-OVJLLXBISA-N 436.364 5.200 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 408595344 WFUNKUCLUCWFMB-KKMKTNMSSA-N 429.278 6.134 30 40 IKEB Cc1c(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc2n1C 408831374 ZNCQXVVTARBBCL-HXNPFYCNSA-N 429.589 6.423 30 40 IKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408846975 OKWZJUVKVGQGMQ-MBTHVWNTSA-N 445.950 6.604 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)ccc1O 408907581 NVTGDYNVWRAXJW-HAWIIJGWSA-N 430.529 5.766 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C#N)cc4)c3C)S2)cc1 408951243 IKKNMQKHDCFZEX-OEAKJJBVSA-N 442.544 5.256 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC)c(OCC)c3)S2)cc1 408954669 ULJGAFBRECAIDF-LDADJPATSA-N 432.929 5.038 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)c1 408966162 KEVABCNSHPMBJH-ZMOGYAJESA-N 425.872 5.583 30 40 IKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1cccc(Cl)c1 409117776 MVSGRMUVTDDSLW-UHFFFAOYSA-N 437.967 6.667 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 409211715 OHOYTBLVVIWKIU-ZVHZXABRSA-N 434.344 6.074 30 40 IKEB CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409226911 WGSIFQCKEDDLCJ-MFKUBSTISA-N 433.464 5.070 30 40 IKEB COc1ccccc1C=Nn1c(C2CCCCC2)nc2ccc(Br)cc2c1=O 409311770 HVCODINHQBQONC-UHFFFAOYSA-N 440.341 5.098 30 40 IKEB CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccccc2F)C2=C1CCCC2=O 1461727 UIPTYEFGRMYLRF-UHFFFAOYSA-N 431.507 5.448 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1)c1ccco1 2053120 VNTJKZNWCYVSFE-JFLMPSFJSA-N 442.858 6.711 30 40 IKEB COc1ccc(-c2cc(C3CC3)nc(SCC(=O)Nc3ccccc3Cl)c2C#N)cc1 6181822 PAHXADINDJNJJY-UHFFFAOYSA-N 449.963 5.890 30 40 IKEB COc1ccc(CCNc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 8844513 BNBFEKUQGXNLCY-UHFFFAOYSA-N 449.894 5.702 30 40 IKEB C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Cl)cc1 8966345 KACGBNFAWPVYOF-LBPRGKRZSA-N 429.958 5.749 30 40 IKEB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)c1ccc(C#N)cc1 9095786 RHLWSVYUPLMXDL-UHFFFAOYSA-N 442.544 5.185 30 40 IKEB CCN(CC)c1ccc(/C=N\c2ccccc2/N=C/c2ccc(N(CC)CC)cc2)cc1 11565510 STLPZBKWRGUEFT-DWVPNOFWSA-N 426.608 6.880 30 40 IKEB CN1/C(=C\C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C(C)(C)c2ccccc21 12524600 JPFZBNKQODIPFU-JLPGSUDCSA-N 425.557 6.095 30 40 IKEB C(=N/n1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\C[C@@H]1CCCO1)\c1ccccc1 12565679 RSKFGJDTOHSWPD-KIKDXWLRSA-N 439.584 5.846 30 40 IKEB Clc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c(Cl)c1 13126313 XQQNDQNEBKMSEH-BRJLIKDPSA-N 427.722 6.703 30 40 IKEB O=C1/C(=N/c2cccc(Cl)c2)C[C@@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 13597368 JQHPQOGMXVPYEK-QRUUQNQBSA-N 429.734 6.898 30 40 IKEB CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 14271499 WJQQYFKSQNZETR-HNNXBMFYSA-N 441.622 5.296 30 40 IKEB CC1=CC(=O)[C@H](C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)[C@@H]1C(=O)Nc1ccccc1 15081084 OJPIWRXLXMPYGY-ZNZIZOMTSA-N 438.527 5.117 30 40 IKEB Clc1ccccc1/C=N/Nc1nnc(N/N=C/c2ccccc2Cl)c2ccccc12 17418115 LPOIDRKFQZSROR-BKHCZYBLSA-N 435.318 5.829 30 40 IKEB Cc1ccc(Sc2ccc(/C=N\Nc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1 32125016 BDFODTLLRNFQQF-XKZIYDEJSA-N 442.338 6.263 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 38180006 MHYBWYHRROVXPX-HWDKICEFSA-N 439.342 7.771 30 40 IKEB CCCCCCCc1ccc(C(=O)Oc2cccc(NC(=O)Cc3ccccc3)c2)cc1 97944599 JYGMJIMYZUHPLV-UHFFFAOYSA-N 429.560 6.600 30 40 IKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3C(=O)[C@@H]4C[C@](C)(C(C(=O)O)=CC4=O)[C@@H]3CC[C@@]21C 100236112 CPOBSJFACVUGSW-BZFRTGKMSA-N 428.613 5.697 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Br)cc2)cc1)Nc1ccc(F)cc1 100416815 DYWGJQXGWWDLJB-CFRMEGHHSA-N 427.273 5.356 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 409035166 OVNLMAJTGOTYHI-XKJRVUDJSA-N 444.350 6.133 30 40 IKEB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br 409093054 YXSZVMYCXPDQNZ-ZVBGSRNCSA-N 432.196 5.221 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1C 409202211 QDEBGCYNYXONFH-DHRITJCHSA-N 438.321 6.094 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cc2ccccc2o1 409326902 GGFSWJIBZUUECA-UHFFFAOYSA-N 432.549 5.732 30 40 IKEB C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](C(C)C)O[C@@H]1c1cc(CC(=O)O)ccc1OC 585263999 ZNCLTKGROMNSIA-VCPRHENPSA-N 442.983 6.438 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC(=O)c1ccccc1 1439832 GPCYVEKQDADILZ-UHFFFAOYSA-N 444.483 5.042 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(=O)c1ccccc1)[C@@H]2c1ccccc1 2151192 UKNIOFICYOMGDJ-RUZDIDTESA-N 448.566 5.987 30 40 IKEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 6015684 LIRXJRWOKNJMBE-WNSKOXEYSA-N 447.585 5.205 30 40 IKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)N1 6232576 OVYRVZAGYCMZGR-WMZHIEFXSA-N 428.985 5.703 30 40 IKEB CCN1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1cc(Cl)ccc1C 8385196 UVGSRIKXBAAQKN-LWVPEANGSA-N 429.973 5.245 30 40 IKEB C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)cc1 8743591 SUUOKAQVXPRLDV-DJUDNFEDSA-N 434.348 5.140 30 40 IKEB CCOc1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 8872368 NHVSBZZENAFUNC-KOEQRZSOSA-N 425.496 5.204 30 40 IKEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 9210357 RLPYNORBJGAMLM-FBHDLOMBSA-N 425.799 5.583 30 40 IKEB N#C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 9404404 KFIXSVKNQLZXBG-JFLMPSFJSA-N 441.265 6.475 30 40 IKEB Oc1ccc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 13302170 PSELOPJOFOUHGR-MFKUBSTISA-N 445.320 5.725 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 13809710 GDVIPIGFMFXACN-CPNJWEJPSA-N 435.526 5.348 30 40 IKEB CCOc1ccccc1/N=C1\SC[C@@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1 16045104 KUIFEZJFZVKLAD-MLEWXOFZSA-N 444.600 6.259 30 40 IKEB C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1C1CCCC1 17095067 SXIBLMYFPKLKRG-UHFFFAOYSA-N 426.567 5.266 30 40 IKEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](c2ccccc2)C3)[C@@H](C(=O)O)C1 17099066 BDGUZVIBYQBJJB-SXLOBPIMSA-N 434.561 5.278 30 40 IKEB Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c12 23983748 PITXMMKNYWDFQJ-NRFANRHFSA-N 443.551 5.193 30 40 IKEB FC(F)(F)c1cc(-c2ccccc2)nc(N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)n1 27024839 ROEXEQJCAGNKMJ-UVHMKAGCSA-N 442.828 6.522 30 40 IKEB Brc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 100511651 BPSQKYICWHFBQG-CVKSISIWSA-N 443.300 7.268 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(F)cc2)o1 139579526 BCBPZGIKOWHBSC-UHFFFAOYSA-N 434.507 6.486 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(C(=O)O)c3)S2)cc1 408529303 GWHMOGFLXNLMGP-HMAPJEAMSA-N 444.512 5.164 30 40 IKEB Cc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 408595270 WDIOJALLINHNHU-UUYOSTAYSA-N 428.286 5.316 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCc2ccccc2C1 408730957 XBCAVPVBPXUNAO-WPWMEQJKSA-N 442.540 5.043 30 40 IKEB Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c(C)c1 408739805 FUWOCWGDXJQQKI-WEMUVCOSSA-N 426.563 8.179 30 40 IKEB Cc1ccccc1-n1c(C)cc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)c1C 408792495 KGXOHCHATZILIU-AMQQTSRNSA-N 445.544 5.335 30 40 IKEB C#CCOc1c(/C=N/N(c2ccccc2)c2ccccc2)cc(Br)cc1OC 408823255 NKRMCRCHNQRGOK-KOEQRZSOSA-N 435.321 5.642 30 40 IKEB CCCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1ccc(C)cc1 408914424 UUWMGMYMTVTDRX-UINIZAEWSA-N 430.573 6.561 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)S2)cc1 408953140 OLBXVOCSSGHVMO-LFVJCYFKSA-N 444.556 5.864 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OCC)c1OCc1ccccc1 409082068 RMTCRLFEFWFVFC-ULJHMMPZSA-N 439.511 5.737 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1OCC 409205856 KUMUOXXGVQJSCE-UHFFFAOYSA-N 441.163 5.787 30 40 IKEB Cc1ccccc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 409209943 HEQMCAFCYJBCNJ-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(O)c2)cc1C(C)C 409291096 OONDISQDKXJGAY-UHFFFAOYSA-N 441.531 5.482 30 40 IKEB C=C(C)[C@@H]1C[C@@H]2c3ccccc3CCC[C@@H]2O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)O 2037879048 JAWDVHYWKBAWIJ-SZGVKKGVSA-N 444.930 6.085 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)cc1 3066532 PCCBUYDDDXCCRU-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB Fc1ccc(NC(=S)Nc2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 3191464 WVYFADMSFVNOTR-UHFFFAOYSA-N 446.388 6.517 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 3284264 NUPBKMRCQIMIEI-UHFFFAOYSA-N 433.621 6.329 30 40 IKEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 9086065 KRMWPKMMWHBYRD-GOSISDBHSA-N 448.744 5.481 30 40 IKEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 9197359 YACVKIKJVGJQMO-UVHMKAGCSA-N 447.337 6.234 30 40 IKEB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccc(Cl)cc2)cc1 10119007 SOOZHZGKVOQIMP-DHRITJCHSA-N 430.291 5.604 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 12865429 IBHLVHLIYYDTRV-IOIAFZSCSA-N 439.728 8.494 30 40 IKEB biogenic Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)o1 13108366 IOULCBCYJNRBJR-AFUMVMLFSA-N 426.432 6.130 30 40 IKEB O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(O)nc(SCc3ccccc3)nc1N2 17189614 HYXHVBPDTHCYGJ-IBGZPJMESA-N 433.508 5.178 30 40 IKEB CSc1nc(Nc2ccc(N3CCC(C)CC3)cc2)c(C#N)c(-c2ccc(C)cc2)n1 19820703 UWDIFQBVGFSBRU-UHFFFAOYSA-N 429.593 6.026 30 40 IKEB C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2c(s1)CCCC2 23653644 ZDEBPEPWGUAMGN-UHFFFAOYSA-N 446.985 5.037 30 40 IKEB C=CCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 39556736 VLSHSFJFLVNGGU-VXLYETTFSA-N 426.303 5.075 30 40 IKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Cl)cc1 50704702 ARPKSXSDHKDPJO-UHFFFAOYSA-N 445.010 7.968 30 40 IKEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 78870167 DZKXYCPUMLCATK-NRFANRHFSA-N 437.975 5.098 30 40 IKEB CCc1ccc(/N=C2/S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C2CCCCC2)cc1 100299505 LACFZZDKSVRHSI-SFFUPWIKSA-N 434.561 5.884 30 40 IKEB CCCCCCCCNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 100985150 SJQJRXGKKWSCNQ-UHFFFAOYSA-N 445.672 7.188 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 257221356 DOSCAXOGRCVEFS-RUZDIDTESA-N 442.603 5.163 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1Br 408907891 PZFGMDZZORFYQU-FTIPTLOASA-N 431.355 5.470 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 408938083 KJHHZLQJRPBKFL-ROMXKGMGSA-N 444.578 7.734 30 40 IKEB C=CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 408969974 YBGQPSDUIALVSQ-TURZUDJPSA-N 444.600 6.975 30 40 IKEB C=CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)cc1 409014292 IKFUKBUIDRMFRZ-MOSHPQCFSA-N 443.421 5.147 30 40 IKEB CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 409215821 FOMHXKNBDCJADB-MFKUBSTISA-N 440.337 6.186 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409217420 UMPOIOUZQJVOCJ-YDZHTSKRSA-N 425.282 5.995 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C#N)C1 2085381 KOSXHTIJZPIAFL-CYBMUJFWSA-N 431.399 6.176 30 40 IKEB Cc1cccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3nc4ccccc4nc32)c1 2389414 JUVVJOMXASNSLI-WKULSOCRSA-N 448.530 5.226 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 2562672 NVFBLCBUSIGTCH-DKXZRHEOSA-N 444.637 5.681 30 40 IKEB biogenic CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc34)NC2=O)cc(Cl)c1OC 2751703 YEYFMRSTOIVOPM-DEDYPNTBSA-N 438.936 5.792 30 40 IKEB O=C(O)c1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 3095174 FAYBYFYFPYYQBO-DHRITJCHSA-N 435.888 6.223 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 9479361 RLERXAIBUPHBSO-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC 14735624 GNMZSOCBCXXLHD-HNNXBMFYSA-N 430.460 5.271 30 40 IKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O 34112427 GAKVNINHIOJQFK-JJGLNVDDSA-N 442.477 6.410 30 40 IKEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 59536020 SRNNKAZBUFTTSC-NUGSKGIGSA-N 446.787 5.052 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/c1ccccc1Cl 100499518 SXFJZODIQFDDGZ-WDIQAHRZSA-N 445.997 5.733 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\[C@H](C)c1ccccc1 102596907 WHBAUJFADSQSAI-IKHXOQOSSA-N 439.606 5.509 30 40 IKEB CN(C)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 102601957 YDXOPOBKOOSCBJ-HOGKFDNTSA-N 432.907 5.032 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1 107990144 OFQSFZPNQOTMAD-YSMPRRRNSA-N 438.911 5.307 30 40 IKEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)cc21 408720835 FGAYEUCFAUPRLI-AUEPDCJTSA-N 428.231 6.010 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OC 408858107 JRESHBBDWIAFKO-RRQWBNHBSA-N 436.577 5.887 30 40 IKEB Clc1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)c(Cl)c1 408931351 KKRHBXYBOYYSHZ-JVWAILMASA-N 441.358 6.160 30 40 IKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Br 408945943 XSLBOQDZPZXFRQ-SKKTVYBZSA-N 445.360 6.732 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)S2)cc1 408949970 CUYBPRBBEVVKNT-FYJGNVAPSA-N 448.500 5.244 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C 409214134 WFLPAERWTZGNKN-UFFVCSGVSA-N 443.566 6.489 30 40 IKEB CC(=O)C1=NN(c2ccccc2Cl)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 1815196 CZZCNFWZDFAVFD-OAQYLSRUSA-N 443.981 5.481 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 3768788 KQQOATJNMIUHCX-KGENOOAVSA-N 425.575 5.673 30 40 IKEB C=CCc1cc(C(=C/C)/C(=C\C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC(C)=O 4806225 JYHPJEHAFFAGBR-UMOSFCNPSA-N 430.544 6.501 30 40 IKEB Clc1ccc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)c(Cl)c1 9034260 HBLQDBGVYGYQRM-BRJLIKDPSA-N 427.722 6.703 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9144941 XNHVBEDLRGEMGZ-IBGZPJMESA-N 425.271 5.171 30 40 IKEB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 17097315 ZDMNJOWJFQHORJ-CQSZACIVSA-N 431.001 6.220 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccc(F)cc1 20503277 WELQRRHHIWMLIL-RUZDIDTESA-N 431.467 5.038 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(O)cc1 30738713 XEBCQHSAPWWVHE-BEIQUOEZSA-N 425.579 5.557 30 40 IKEB N#CC(CCSc1nc2ccccc2c(=O)n1C1CC1)(c1ccccc1)c1ccccc1 32818845 LCHPOVOQDRCFER-UHFFFAOYSA-N 437.568 5.723 30 40 IKEB COc1ccc(-c2csc(/N=C(\O)C(Cl)(Cl)Cl)n2)cc1Br 34967018 YPQCIUDITZFYPX-UHFFFAOYSA-N 430.538 5.539 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC(C)(C)C)CC1 72345300 DZSRXEPVEWZYNW-UHFFFAOYSA-N 432.608 5.243 30 40 IKEB CCOc1cc(C#N)cc(I)c1OCc1ccc(Cl)cc1Cl 216826746 PTPLDLGZZDGPFX-UHFFFAOYSA-N 448.087 5.447 30 40 IKEB C#CCOc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 218007057 GRPVRZKCYGSFNC-UHFFFAOYSA-N 429.539 5.489 30 40 IKEB C=CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226327224 NMNAVNNUTCQTFD-UHFFFAOYSA-N 446.124 5.686 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 408595038 VKTBUPBWKLBTIM-JMIUGGIZSA-N 446.213 5.076 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)c([N+](=O)[O-])c1 408945589 WWSNGHNBPIOBRY-KSEXSDGBSA-N 444.806 5.321 30 40 IKEB Cc1ccccc1-n1cccc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O 408961300 MJVZKJQBQIVMEN-LDADJPATSA-N 428.344 5.984 30 40 IKEB Fc1ccccc1COc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 409216119 FHKYVWGJXQSIAF-STBIYBPSSA-N 431.894 7.601 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1Cl 409330641 CBQSPMVLLVSAFI-UHFFFAOYSA-N 439.140 5.301 30 40 IKEB CCCCCCCCOC(=O)c1cc(Br)sc1-c1ccc(C=O)s1 1942116944 ISTIJIOVXRCZIV-UHFFFAOYSA-N 429.401 6.569 30 40 IKEB CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1 826386 NPRCYLGGABEMQH-ZMOGYAJESA-N 436.309 5.780 30 40 IKEB CCCCCCCSc1nc2ccc(I)cc2c(=O)n1CC 2235431 ILUNQYFPNIJPAW-UHFFFAOYSA-N 430.355 5.084 30 40 IKEB Clc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c(Cl)c1 3113884 FPXSCLMXNUFIHV-KIBLKLHPSA-N 436.125 7.859 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccc(C)c(C)c1 8452298 LTLKXHYORSIHQV-FUQOYWQNSA-N 442.584 6.506 30 40 IKEB O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)OCc1ccccc1 9158854 HSRAAYBBALNIEF-UUYOSTAYSA-N 438.838 5.218 30 40 IKEB Cc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)CC[C@@](C#N)(c2ccccc2)C3)cc1 9512366 HKDACAUNLZMPAN-GDLZYMKVSA-N 434.608 7.101 30 40 IKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccc(OC)cc3)c3ccc(O)c(C)c3O2)N1 12716876 RYQIQTFWSRHYSV-NLFFAJNJSA-N 438.593 5.367 30 40 IKEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1)c1cc2ccccc2o1 13728490 UDMXQIUVWKMNJZ-JOCHJYFZSA-N 444.874 5.260 30 40 IKEB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 13774249 PTJPHWXNWPBHDJ-LNKIKWGQSA-N 427.500 5.861 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Br)cc3)c2C#N)C1 14273274 OLXMMWPRXUHHNJ-CYBMUJFWSA-N 447.398 5.551 30 40 IKEB COc1ccc(C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 16268138 FCGRFUQLKPEPCJ-FQEVSTJZSA-N 425.315 6.218 30 40 IKEB CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 97954201 JAOWTFRJFOYGJG-JOCHJYFZSA-N 447.623 6.706 30 40 IKEB CCc1ccc(N/C=C/C(=O)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 100161211 PGGMBRRMXMNRAX-OUKQBFOZSA-N 426.343 6.943 30 40 IKEB O=C1/C(=C/c2ccccc2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 108866450 DVQCBBLRVBYYFY-UDGIJHFQSA-N 425.340 6.802 30 40 IKEB Cc1cc2c(cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CC(C)(C)N2C(C)C 223587823 QMYSJUKUUDYKQP-CBFMJHRQSA-N 439.516 5.758 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(Cl)cc1 408750324 LNCBRTSUZOCKRM-MSXFZWOLSA-N 426.860 5.067 30 40 IKEB C=CCOc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 408902129 KOXCMSIZGAOIPK-XQNSMLJCSA-N 446.597 6.065 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(O)c(OC)c2)C(=O)N1C1CCCCC1 408912658 OJSGZWSMUJJBOC-OQNHBUHUSA-N 436.577 5.900 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3ccccc3OC)S/C2=N/c2ccccc2)cc1 408916894 IBZPYEJWCLFDNU-IVCURSBOSA-N 430.529 5.508 30 40 IKEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C(=O)N1CC 408929654 MBNHXDMPZKSRBW-OYPKHVMMSA-N 444.984 5.548 30 40 IKEB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)c1 408967591 VZUKUTOMYCBSAI-HYARGMPZSA-N 445.544 5.081 30 40 IKEB CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 409022670 OTBSFXFBNFZAID-JVWAILMASA-N 438.637 6.475 30 40 IKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc(Cl)c1 409076415 BFUKIMDKRJCYJG-STZFKDTASA-N 433.891 5.662 30 40 IKEB Cc1cccc(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OC(=O)c2ccco2)c1 409134146 NTNCWEJBFWUOME-UHFFFAOYSA-N 449.466 5.066 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409199260 AWFAWIAMSBAVEH-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 409213159 OVGYMDYHNVEGKC-WSDLNYQXSA-N 447.126 6.460 30 40 IKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 409214462 XVTTYXQIINBNCS-RDRPBHBLSA-N 443.930 7.471 30 40 IKEB CCOc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC 409237226 IMXSANTWOYSVRO-UQACLUTFSA-N 434.920 5.510 30 40 IKEB CCOc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1O[C@@H](C)CC 409291297 APWRPVWMXYJLKP-IBGZPJMESA-N 447.579 5.902 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 1414720 ADEQEXZDXRBQOC-HSZRJFAPSA-N 442.540 5.359 30 40 IKEB COc1ccc([C@H](C#N)CC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 1735206 RGXFXLCNAOBHLD-NRFANRHFSA-N 431.488 5.172 30 40 IKEB Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)sc2c1 2740657 FLBNUXFKJHFBST-ZDUSSCGKSA-N 443.037 7.200 30 40 IKEB CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 2764216 KEHRIDXLPHRIIU-GFCCVEGCSA-N 449.418 5.392 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(I)cc3)c2C)c1 6194040 YIKXEEKYCSHDHC-YDZHTSKRSA-N 428.317 6.066 30 40 IKEB CCCCCCCCCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 8425691 KWJPLUQAMNFFRD-UHFFFAOYSA-N 436.666 5.482 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 8615977 FKBGHOIYIHEXNW-KEOOTSPTSA-N 426.578 5.331 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1C 8894104 AMZSAFUXTCPTFQ-UHFFFAOYSA-N 431.565 5.341 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccccc1 9197182 YKTRSISWZHOCFL-RPPGKUMJSA-N 449.765 6.358 30 40 IKEB O=C1/C(=C\c2ccc(O)cc2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 9323995 WUBWAPCCYPOPQB-DOGKOTLKSA-N 439.540 5.720 30 40 IKEB N#Cc1ccccc1-c1ccc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 14855865 YKFHAJCHJAZYRV-UHFFFAOYSA-N 436.481 5.351 30 40 IKEB O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 35646562 SMCKDVCEKVZXAZ-WQRHYEAKSA-N 425.853 5.400 30 40 IKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 65165009 VVIRSLMAFQMSQF-QFIPXVFZSA-N 446.576 5.237 30 40 IKEB CCCCCCCCCCCCCCCCCCSc1nccc(N(C)C)c1C#N 97949616 UZJOFNHQCBELGG-UHFFFAOYSA-N 431.734 8.373 30 40 IKEB CCCCCCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 100231707 YIVZYNHUIGSVON-UHFFFAOYSA-N 428.620 8.299 30 40 IKEB CCn1c2ccccc2c2cc(/N=C/c3cc(Br)ccc3OC(F)F)ccc21 102940640 TXWQAYMRGZAJGX-LGJNPRDNSA-N 443.291 6.929 30 40 IKEB COc1cc(COc2c(Cl)cc(/C=N\O)cc2OC)ccc1OCc1ccccc1 105292585 MSMMRNINCDWJBP-MXAYSNPKSA-N 427.884 5.323 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118927795 NTPNMXXOGUTKLZ-KZQZKGGGSA-N 431.661 6.932 30 40 IKEB CCn1c(N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)nc2ccccc21 408692289 JDDONWSRGGDXET-MFKUBSTISA-N 449.352 5.844 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OCC 408814358 GXGPRHKHRDGXAM-PDGQHHTCSA-N 447.343 5.296 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(C)C)c3ccccc23)C(=O)N1C 408910310 GUOWQLZUBMEFRR-PIINERKHSA-N 444.600 6.671 30 40 IKEB C#CCOc1c(Br)cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409121763 ZXYGXMOKAONYGI-WQRHYEAKSA-N 440.337 5.013 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl 409202913 UGNJFARSJKBDJX-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1C(C)C 409217474 VVVLVQYFUBLNGJ-RRJMXWIWSA-N 428.985 6.008 30 40 IKEB Cc1ccc(-n2c(C)cc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2C)cc1 409401293 AZUJGRDAPIGVRQ-UHFFFAOYSA-N 432.527 5.662 30 40 IKEB O=[N+]([O-])c1ccc2c(/C=N/c3ccc(-c4nc5ccccc5o4)c(O)c3)c(O)ccc2c1 793792 DXTSCHPSNZUAKP-DHRITJCHSA-N 425.400 5.718 30 40 IKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1O 851455 WXWJUPFMZBMIRT-RUZDIDTESA-N 444.487 5.772 30 40 IKEB C=CCSc1nc(-c2ccc(OCCCC)cc2)nc2sc3c(c12)CC(C)(C)OC3 2224782 RSLZHEBCCUCJIK-UHFFFAOYSA-N 440.634 6.667 30 40 IKEB Cn1nc(-c2ccccc2)c([C@@H](O)C#Cc2ccccc2)c1Sc1ccc(Cl)cc1 3049332 RTCPWVSNJMWLNZ-QFIPXVFZSA-N 430.960 5.977 30 40 IKEB Cc1ccc(-c2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c3c2CCCC3)cc1 8781826 AFWUPRKHRPFYIV-UHFFFAOYSA-N 439.411 7.407 30 40 IKEB COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OC)c1OC 8809470 VEZKSGMIWGTDTD-RVDMUPIBSA-N 432.472 5.136 30 40 IKEB C=CCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 9095217 JIRNOIFZFASTCI-NDEPHWFRSA-N 449.554 5.381 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 9175110 ZSLQAZFYMCBOJZ-FQEVSTJZSA-N 434.835 5.031 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 9359441 FKBCHNZOOUEIAJ-NRFANRHFSA-N 438.310 6.085 30 40 IKEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)/C=C\c2ccccc2Cl)c1C#N 9390692 RTGLYNJVWOHQMS-CLFYSBASSA-N 436.920 5.553 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c2ccccc21 9422498 WCOWGGOSYCTFAU-AFUMVMLFSA-N 443.930 6.818 30 40 IKEB C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N(CCC#N)c1ccccc1 11443899 QWFFKKSBMLZNHD-ZDUSSCGKSA-N 430.888 5.186 30 40 IKEB Oc1ccc(/N=N/c2ccc(Br)cc2)cc1/C=N/c1cccc2ccccc12 13940896 FQVQOMKEKBQWPU-RVTFTXCGSA-N 430.305 7.474 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(C)c1C 14126795 SLGOTQFFHQMDAB-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccccc1Cl 14133448 FUZMWKGXYXOMRN-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)c1O 16194969 MMKNEGWWHJENRT-VULFUBBASA-N 439.427 6.021 30 40 IKEB Nc1nc(N)c(/C=N/c2ccc(Cl)c(Cl)c2)c(Nc2ccc(Cl)c(Cl)c2)n1 17417974 AAEQOPSKNYFFRG-HCBMXOAHSA-N 442.137 5.749 30 40 IKEB COc1ccccc1CN/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 20763465 PYZXTWOZOGNPHU-OGLMXYFKSA-N 441.487 5.459 30 40 IKEB CCC(=O)Nc1ccc(/C(C)=N/OCc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 36392651 ZUHUMRIEYJKDGH-RDRPBHBLSA-N 445.519 5.237 30 40 IKEB CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 36611332 HKEKKMIXOWVUEH-ZVHZXABRSA-N 434.521 5.193 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2)cc1 97961220 DUORJTVBVQJQNS-DQWNXYKBSA-N 448.691 8.874 30 40 IKEB CCCCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1 100574616 LTLFQKHOEBIAGF-UHFFFAOYSA-N 444.575 6.849 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 224477503 NEHFIGCVAQWSTM-UHFFFAOYSA-N 448.588 5.241 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408618161 CJDHDQAQBWRDOQ-XYOKQWHBSA-N 427.327 6.867 30 40 IKEB CCCCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 408730919 VXARUSKQGHJIMT-ZXVVBBHZSA-N 448.588 5.363 30 40 IKEB O=C1C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)c2ccccc21 408814556 GARWOQUFPVPECD-UHFFFAOYSA-N 432.306 6.459 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OCC)c1OCc1ccccc1 409107904 XXMMJRAFPKSOON-CJLVFECKSA-N 435.545 5.615 30 40 IKEB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\c1cccc(Cl)c1 409117116 KSBUFRASBAYMNA-QRVIBDJDSA-N 425.897 6.108 30 40 IKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(N4CCOCC4)c(F)c3)cc2)cc1 409141244 URHPHJFNZXQYPU-PCLIKHOPSA-N 437.496 5.472 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)S/C1=N/c1ccc(OC)cc1 409236941 HBVFVJKHQXPPQW-WYPBWKFOSA-N 436.558 6.063 30 40 IKEB CCOc1ccccc1C=Nn1c(-c2cc3cc(Cl)ccc3o2)nc2ccccc2c1=O 409280606 BSCSFTSBOUZKHI-UHFFFAOYSA-N 443.890 5.744 30 40 IKEB Cc1ccc(CO/N=C/c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)cc1 8733612 VFVJAFZRRZHLQV-JVWAILMASA-N 447.991 6.751 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(=O)c1cccs1 8934259 ZPZKURSJUAVNLY-UHFFFAOYSA-N 430.529 6.463 30 40 IKEB Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/c1cccc(Oc2ccccc2)c1 9375057 UNVIJUINKSQFCK-PCLIKHOPSA-N 438.516 5.298 30 40 IKEB CCCc1cc(SCC(=O)Nc2ccc(C(C)=O)cc2)n2c(nc3ccccc32)c1C#N 10233848 UYNSPCRRHUUULH-UHFFFAOYSA-N 442.544 5.245 30 40 IKEB COc1cc(C#N)ccc1OC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 13098224 IVACALCUYKAULJ-UHFFFAOYSA-N 436.514 5.590 30 40 IKEB O=C1C=C2C(=N[C@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 13583076 WCSNDIBBXOJAOR-LNFMTQTQSA-N 442.562 6.597 30 40 IKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1cc(F)cc(F)c1 14163694 QKFQRHGPTLWXNP-DAOPMYJZSA-N 439.893 6.058 30 40 IKEB CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 16805796 SIHVLLOLDNWOII-XMMPIXPASA-N 445.490 5.393 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197553 MQOONJYZPNMPEZ-PUAOIOHZSA-N 447.556 5.732 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 19898833 VRAHPYATKVSEBV-QFIPXVFZSA-N 432.907 5.641 30 40 IKEB CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 59104093 JTYCHHFPCVIOTK-SVXRXWARSA-N 432.099 5.911 30 40 IKEB Cc1ccc(S/C(=N/Nc2ccc(Cl)cc2)C(=O)c2ccc3ccccc3c2)cc1 100351385 VRSYFMNWEDZONQ-AZPGRJICSA-N 430.960 7.202 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(O)cc1O 104348849 VMKYOVPRCOYZRR-QOMWVZHYSA-N 435.678 6.377 30 40 IKEB N=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1c1nccs1 137022426 NLLSUPGNVUWQJE-BBBSXOBRSA-N 437.502 5.048 30 40 IKEB CCOc1ccccc1/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 408734269 VXWOJNWGSCTVRE-CVKSISIWSA-N 435.932 6.923 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OCC#N 408782472 HHOPHKVLRIMZFJ-BOPFTXTBSA-N 448.331 5.186 30 40 IKEB CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408849794 ZFIRLZOYAJAHLQ-OQDSOZAYSA-N 434.605 6.657 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 408857690 PIQCRHKZSBAHEB-INCSMEFSSA-N 436.577 5.233 30 40 IKEB Clc1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 408930782 BYKNBKSYIOFJJL-OGLMXYFKSA-N 429.951 5.930 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 409211012 LTALJHNWNWPSID-STBIYBPSSA-N 429.947 7.530 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(SC)cc1 1531269682 CJFIAHGOQQHYEM-LPYMAVHISA-N 430.371 5.106 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 2315644 UHJJUKFIROBXOD-UHFFFAOYSA-N 442.323 6.056 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 2562795 LQBTZXLGHXAZEI-HZOVOTIMSA-N 442.621 5.601 30 40 IKEB Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2C#N)cc1 3104531 VGENYHYOKQXCBB-UHFFFAOYSA-N 445.327 5.259 30 40 IKEB CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)cc1 8440803 POSXQJOKESEPML-JOCHJYFZSA-N 435.476 5.138 30 40 IKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]2c1ccccc1 8855063 WRCJNJHZYXADIT-XMMPIXPASA-N 446.547 6.407 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)c1 9845858 RREZBSKKLMEWGZ-UCQKPKSFSA-N 432.520 5.913 30 40 IKEB N#Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 13096968 FPWMRBURXTUZJF-OAQYLSRUSA-N 429.907 5.020 30 40 IKEB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2 13686416 OWJNNMGFSZEVIL-WNOPAQSVSA-N 444.039 5.826 30 40 IKEB N#CCOc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 15226275 JXKSAHBKOVSBDM-OGLMXYFKSA-N 429.545 5.210 30 40 IKEB O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1/N=C/C=C/c1ccccc1 16450893 VCBAMZWQGHSMAX-KCYFPNEXSA-N 430.305 5.373 30 40 IKEB CC(=O)Nc1sc(N/N=C/c2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1 16753170 IFOCZCRQMBPTNL-LSFURLLWSA-N 439.755 6.175 30 40 IKEB N#Cc1c(N)nc(SCc2ccc(Br)cc2)c(C#N)c1-c1cccs1 19852218 YQBDYMMCYQIUNF-UHFFFAOYSA-N 427.352 5.190 30 40 IKEB C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C1 20647081 ASMRQDHESBTGRW-WIEWCVORSA-N 432.347 5.793 30 40 IKEB COc1cc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 31854465 LRFGGRBSEBBYMH-FBHDLOMBSA-N 448.342 5.044 30 40 IKEB biogenic,in-vitro O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]23)cc1 36380297 LRZMINYCHKGPFT-SZNNIIRLSA-N 443.503 5.829 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1C 83309766 BTLOENCEQOACHC-XKZIYDEJSA-N 435.980 6.256 30 40 IKEB CCCCCCCC[C@H]1S[C@@H]1CCCCCCCC(=O)OCCOCCOCC 100300085 MMBZAEHFMQEQSE-DHIUTWEWSA-N 430.695 6.548 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 198086366 ZEXZTDAGBUIEHA-OJPXDDBDSA-N 448.994 7.614 30 40 IKEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccc(I)cc1 408776081 NBEKMXQXYROJJG-UCQKPKSFSA-N 443.332 5.515 30 40 IKEB O=C(NCc1ccccc1)c1c(/N=C\c2ccc(N3CCCCC3)o2)sc2c1CCCC2 408780584 FMYOAQJNCNVXFS-VEILYXNESA-N 447.604 5.891 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c2ccccc12 408909385 HIHNFKSESMLREF-AJGXWLHTSA-N 444.600 7.031 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2C(C)C)cc1 408910718 HOFKZNCGPPPENE-DDOPLPCHSA-N 436.964 6.921 30 40 IKEB COc1ccccc1/C=N/Nc1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 408975409 JRKFXMLOGQNINY-MFKUBSTISA-N 444.516 6.148 30 40 IKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409068238 ICCICRVTSBZOGN-MFKUBSTISA-N 447.447 5.570 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4cccc(C(=O)O)c4)o3)c2C#N)C1 409080360 NHJGQKUJPMRPOB-MAFAOTQISA-N 432.545 6.480 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O 409108766 XYWKHHYVONIFLM-PXNMLYILSA-N 427.740 5.937 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409202085 ORRJVUBAEGSNCD-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB CCOc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Br 1531383819 QSWKEATWLKVHKK-MFKUBSTISA-N 448.320 5.107 30 40 IKEB COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1OC 1780536 VJIUMSSKWJMACP-PCLIKHOPSA-N 430.533 5.137 30 40 IKEB CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 9239784 DZXMMRFUGSBWQO-QFIPXVFZSA-N 448.906 5.305 30 40 IKEB COCc1cc(C)nc(N/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1C#N 32124632 HNIBBQGYTUMJTQ-MXAYSNPKSA-N 447.520 5.222 30 40 IKEB COC(=O)c1ccccc1/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 59500707 UXMAAKCONUTLBN-VULFUBBASA-N 449.915 6.311 30 40 IKEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O 100103334 MRUNVECOXSFLCB-PUROBGENSA-N 433.552 6.552 30 40 IKEB CCCCCCCC[n+]1ccc(-c2nc(C)c(C(=O)/C=C\Nc3ccc(C)cc3)s2)cc1 100927479 NAMVLGYJFSVDDI-UHFFFAOYSA-O 448.656 6.883 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(OCc2ccc(F)cc2)c1 226762928 GFHOXAKMFHPFGJ-MHZLTWQESA-N 442.534 6.627 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 408857143 LCTSXFYMFMVQMM-QRVIBDJDSA-N 445.494 5.859 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1[N+](=O)[O-] 408917439 UMFSQUXDTPJMFR-JDJFWADASA-N 435.461 5.001 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc1 409101433 XSAWRLZVHOKLLU-IPBVOBEMSA-N 428.845 6.203 30 40 IKEB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccccc1C#N 409114419 HHBVQNGIRKWDCU-OYKKKHCWSA-N 438.527 5.689 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1Br 409211197 IGCISQNHYHXMTP-CIAFOILYSA-N 441.163 6.150 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409212660 RKGFBUHHRKBCRN-FSJBWODESA-N 441.827 6.016 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 409215483 ZSBGYMDRZUUSBS-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/Sc4ccccc4C3=O)cc2)cc1 409304448 QSEIZLSWVVLIOX-HYARGMPZSA-N 429.497 5.120 30 40 IKEB CC(C)(C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409407038 ZJWWHLFXLYVQDZ-UHFFFAOYSA-N 431.923 5.776 30 40 IKEB CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 1382808 VDZQPQYBDBIKTN-OAHLLOKOSA-N 427.850 5.050 30 40 IKEB C=CCOc1ccc(Br)c([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1 2746629 MLGUBIKPNRFAGR-HSZRJFAPSA-N 449.348 6.093 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2c(Cl)n(-c3ccccc3)c3ccccc23)c([N+](=O)[O-])c1 4774568 AWKCSEAUFJEXAL-QRVIBDJDSA-N 435.827 5.546 30 40 IKEB CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O 8448963 BZUFJIZZWHMGGA-UHFFFAOYSA-N 449.591 6.873 30 40 IKEB COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(F)cc3)nc3c2CCCC3)cc1 8742107 YGXRVTFONVGLDQ-UHFFFAOYSA-N 432.520 5.622 30 40 IKEB CN1CCc2c(sc(/N=C/c3cccc(Cl)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 8923785 BCWNNTMSZASVJY-BRJLIKDPSA-N 444.387 6.046 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC/C=C/c3ccccc3)n2)cc1 9422775 PGJMISBOGDTTCK-VMPITWQZSA-N 426.463 6.453 30 40 IKEB C/C(=N\NC(=S)Nc1cc(C)ccc1C)c1ccc(OC(F)F)cc1OC(F)F 12311555 WIRFUMPZQOJWPJ-BRJLIKDPSA-N 429.439 5.217 30 40 IKEB CCOc1ccc2nc3c(cc2c1)CN(Cc1ccc(F)cc1)/C(=N\Cc1ccco1)S3 13511105 STQKWGYBPXRJFQ-IMVLJIQESA-N 447.535 6.030 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)cc1 15225782 ONUXWNYRPAJSQS-ZVHZXABRSA-N 441.531 6.029 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\c1cc(C)ccc1C 17084975 JKBFETATFPMYJS-UOODYVSWSA-N 441.984 5.412 30 40 IKEB C=C(C)CSc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20191727 CGGRWHNBDNEGBW-UHFFFAOYSA-N 426.611 5.359 30 40 IKEB CCCOC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CC/C2=C\c1ccccc1 27490387 ACCFKNZQUIQRHI-LTGZKZEYSA-N 440.568 6.152 30 40 IKEB CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 97949515 BERUUKRLGMWXQI-UHFFFAOYSA-N 442.629 5.013 30 40 IKEB O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1C1CCCCC1 100055861 YEPOMVOZKCOTOD-WELATPIXSA-N 441.394 6.386 30 40 IKEB CCCCCCCOP(=O)(NS(=O)(=O)c1ccccc1)OCCCCCCC 101135034 MDFLHZKHGQLAKA-UHFFFAOYSA-N 433.551 6.047 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] 104049171 LHTKCTXMJYZHQD-UHFFFAOYSA-N 447.529 5.275 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1 253617460 NVFBLCBUSIGTCH-SANQNZOLSA-N 444.637 5.681 30 40 IKEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2C#N)ccc2ccccc12 408905260 WCHCTOMJQSOERV-YZSQISJMSA-N 443.506 6.097 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)cc1 408910987 IJLRJFGIEKHFNX-LBMUFILHSA-N 435.549 6.148 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409044874 DVMOUQHEVXDKHX-VXLYETTFSA-N 442.107 5.659 30 40 IKEB CN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N\c1cccc(C(=O)O)c1 409056299 CJSDYDXUZSUUMS-GZFRWTSMSA-N 438.508 5.925 30 40 IKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409117325 XKHSVSABMAXVRC-UHFFFAOYSA-N 434.492 5.532 30 40 IKEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O 409139896 CIHMMKMQFHUFLL-LICLKQGHSA-N 437.710 5.305 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409200876 JXJGUKRVBXOTQS-YDZHTSKRSA-N 441.281 5.696 30 40 IKEB O=[N+]([O-])c1ccc2c(/C=N/c3ccc(O)c(-c4nc5ccccc5o4)c3)c(O)ccc2c1 793787 IVWYMGBDTDXPJO-DHRITJCHSA-N 425.400 5.718 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1575306 QLLFZAVVOKHSGA-BRJLIKDPSA-N 428.706 5.906 30 40 IKEB O=C(Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl 2068760 FWVAUVWZIOZWNX-JAIQZWGSSA-N 427.308 6.542 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1OC 2100822 ZYHNCCHPRCWFCV-MXAYSNPKSA-N 444.483 5.663 30 40 IKEB biogenic COc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(N)c2C#N)cc1OC 2581556 CPORRADJORVWCB-UHFFFAOYSA-N 434.293 5.126 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1C1CCCCC1 3365313 KAVGAUDJPSHQSJ-UHFFFAOYSA-N 434.609 5.894 30 40 IKEB C[C@H](Sc1cc(/C=C/c2ccc(Cl)cc2)c(C#N)c2nc3ccccc3n12)C(=O)O 3418719 RXRSUOZBWZZOHT-MRZGDXHCSA-N 433.920 5.748 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccc(C)c(C)c1 9305708 LTLKXHYORSIHQV-BLEOTABNSA-N 442.584 6.506 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccc(F)cc4)c3C)C1=O)cn2C 9422514 IEEHTOCTIXMTFH-BRJLIKDPSA-N 443.474 5.830 30 40 IKEB C=CCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)cc1 13804939 BEVXQFDFLNCLDI-YVLHZVERSA-N 438.858 6.006 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 14133333 HBAZNUWGSOZFGF-UHFFFAOYSA-N 444.560 5.236 30 40 IKEB Oc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2F)cs/c1=N\C[C@@H]1CCCO1 15910275 FXLBHEGZRSUEMV-LPBCGIFESA-N 447.535 5.176 30 40 IKEB Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 21722028 CQUACJYGCKLNBJ-SANMLTNESA-N 443.572 5.676 30 40 IKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccc(OCC)c(OCC)c3)o2)CC1 27562609 WFNUNUCZAOCTER-WPWMEQJKSA-N 438.572 6.254 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@H]3CC[C@]23O[C@H]13 257348673 HXKDHGZOPCTTAY-LZAWSEFISA-N 444.700 7.171 30 40 IKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Br)cc2Br)C1 408563915 SEEYYOAAKIOYGV-XZHRJIJLSA-N 429.196 6.313 30 40 IKEB CCOc1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 408733944 SPIFLKCKQINEJM-CVKSISIWSA-N 435.932 6.923 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 408862689 IMEJBWSBZWMHJA-CVSROLTNSA-N 431.561 5.772 30 40 IKEB Cc1cccc(Cn2cc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)c3ccccc32)c1 408896249 JURYXDDPXDASNG-UHFFFAOYSA-N 436.555 5.699 30 40 IKEB Cc1ccc(Cn2cc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)c3ccccc32)cc1 408899331 TWYJYFWEHJYIDW-UHFFFAOYSA-N 436.555 5.699 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1Br 408911136 IZWGMTYGVKFZLX-CRUFNBOHSA-N 445.382 5.779 30 40 IKEB CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(Cl)c1O 409174930 VVRTUWZDWYPFJW-MUFRIFMGSA-N 442.902 6.994 30 40 IKEB COc1cccc(/C=N\c2cccc(Cl)c2Cl)c1OCc1ccc(C(=O)O)cc1 409187318 OWDCRMFUMHBOME-ROTLSHHCSA-N 430.287 6.030 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409203307 WIJIXVJLWGOEIZ-YDZHTSKRSA-N 441.827 6.098 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 409212279 PJYLDGIMHWSQAB-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCn1cc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c2ccccc21 409287896 ALFHYKLKKJHUSD-UHFFFAOYSA-N 437.341 5.139 30 40 IKEB CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC#N 409342655 DTYARIIJBZEXLB-UNOMPAQXSA-N 442.587 5.115 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(-c4ccccc4)cc3)c2)cc1C 409379023 UHIFWSCYHVDVAQ-NDZAJKAJSA-N 434.539 6.739 30 40 IKEB C=CCSc1nc2ccc(NCn3c(=S)sc4cc([N+](=O)[O-])ccc43)cc2s1 1573687 TUDUPSLKSJIQOS-UHFFFAOYSA-N 446.604 6.298 30 40 IKEB C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 1582871 BHUDKWOFZIXCDR-NCGLGOMKSA-N 426.597 5.101 30 40 IKEB CC(=O)[C@]12O[C@](C)(c3ccco3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 1696705 PDWGBWJIJZYLQQ-HMHNWCKPSA-N 438.564 5.337 30 40 IKEB Cc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2cccc(C)c2)cc1 8825069 JUXBXQDVJNHVDB-UHFFFAOYSA-N 445.573 5.215 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c2cc(OC)ccc21 9423531 DTPFJTDKDRQKOZ-DHRITJCHSA-N 445.515 5.772 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@H]3C=Cc4cc(Cl)ccc4N23)cc1 9761135 NPTFPJMIBFTQJX-CYXNTTPDSA-N 449.941 5.933 30 40 IKEB Cc1cc(SCC(=O)Nc2cccc(Cl)c2Cl)n2c(nc3ccccc32)c1C#N 13148735 BGLKIZSAVLPRSI-UHFFFAOYSA-N 441.343 5.705 30 40 IKEB O=C(/C(=C(/S)Nc1ccc(OC(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)cc1 13301585 ADYWUPIIGVQLBN-UHFFFAOYSA-O 433.887 5.280 30 40 IKEB CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@H]2CN=N[C@@]2(C(C)(C)C)C1=O 17208218 AVACOHUQWPOENZ-QUSLYVOKSA-N 440.591 6.302 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3cc(Cl)cc(Cl)c3)c3ccccc3S2(=O)=O)cc1 32984172 PUKAMINYUVTXAE-UHFFFAOYSA-N 444.339 5.952 30 40 IKEB Brc1ccc(/N=C(\Nc2ccc(Br)cc2)c2ccccc2)cc1 33450103 SNZUCMSYBNEOMQ-UHFFFAOYSA-N 430.143 6.402 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N/c3ccc(Cl)c(Cl)c3)NC2=O)cc(OCC)c1O 59248946 JFWHWQXXUDOFJS-ZDLGFXPLSA-N 449.359 5.718 30 40 IKEB N#Cc1ncn(-c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)c1C#N 95945028 XYLANJIMNFUUFO-UHFFFAOYSA-N 448.964 5.055 30 40 IKEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1 102589444 JAXAOKXPROZBAT-HOGKFDNTSA-N 433.891 5.283 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)s1 137548210 DDPDKDJLQZUFOO-ANFUGJHOSA-N 439.537 5.236 30 40 IKEB Cc1cc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)ccc1Br 408542264 KFIPUYQJIOALRU-BHGWPJFGSA-N 437.293 5.802 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1OC 408542615 MOMMGWSZNWFQEU-PTGBLXJZSA-N 438.593 6.326 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C(=O)N1C(C)C 409216174 FWVPDHRUWNOSEM-XHFTXJRRSA-N 438.549 5.053 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)S2)cc1 409251189 TYOZRXBYYBKCAT-JCMHNJIXSA-N 432.570 6.046 30 40 IKEB CCOc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O 797377 KIRJSPVKWJLZMK-ZVHZXABRSA-N 439.309 5.556 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3Cl)nn1[C@H]2c1ccccc1[N+](=O)[O-] 944337 OOGZKDFCRIKQLE-FQEVSTJZSA-N 449.898 5.165 30 40 IKEB CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 2062825 GEOSYSCYWCMVCF-UHFFFAOYSA-N 434.319 5.921 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 2347938 CDXXXPXFENUARQ-BQYFSVDLSA-N 433.552 6.003 30 40 IKEB O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1cccc(C(F)(F)F)c1 3063848 VZSIOPSNXWQWFN-HFTWOUSFSA-N 444.840 5.827 30 40 IKEB CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 8214558 TXHUMRBWIWWBGW-GVGNIZHQSA-N 440.668 7.691 30 40 IKEB in-man CCOC(=O)c1ccc(N2C(=S)N/C(=N\c3ccc(Cl)cc3)C23CCCCC3)cc1 8445542 WQYVYGRHVFNMBN-UHFFFAOYSA-N 441.984 5.644 30 40 IKEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 8820976 VCKYBLZNYOVSMN-VCHYOVAHSA-N 433.291 6.284 30 40 IKEB CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 12362682 GGQIDQJAIYDGEX-MBOSRBAXSA-N 427.585 5.436 30 40 IKEB biogenic COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc(Br)c1O 12466158 LFYPMABEPJLQPM-OPZVMXLVSA-N 447.354 5.014 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(Br)c1 13286418 GJKATFMHINJSFU-HSHHTGOPSA-N 446.395 5.443 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ncccc4N23)c(C)c1 16034311 HJULPICYDRMERV-GSDHBNRESA-N 448.501 5.122 30 40 IKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(F)cc1 17099799 AWSHBRIEZMJGQF-HSZRJFAPSA-N 435.930 6.309 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c(O)c1 19894550 QTJLNZVLQUEMBG-AFUMVMLFSA-N 445.500 6.159 30 40 IKEB CSc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 27500033 BOMAVHIAQDSVEG-HNEFAFEWSA-N 430.598 6.834 30 40 IKEB N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c4nc(N)ccc34)ccc2Cl)c1 34891728 KXDIHAQCVNNLIB-UHFFFAOYSA-N 426.263 5.090 30 40 IKEB in-vivo CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)cc1 100212116 LLSSMRQOGNXPNX-ZVHZXABRSA-N 425.326 5.784 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(Cl)c1 408815679 XVIJRVWFTGEVAL-ROTLSHHCSA-N 433.722 6.415 30 40 IKEB COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1Cl 408897782 OFWDZJQJGYLUAK-UHFFFAOYSA-N 427.972 5.664 30 40 IKEB COc1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1Cl 408912519 HZSUOEFLPMCERH-SSDVNMTOSA-N 436.758 6.914 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409053428 CMPPMOIVJTZEBU-WQRHYEAKSA-N 432.328 5.550 30 40 IKEB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1O[C@@H](C)CC 409161370 UEJOUJBTULDAMI-QPNANDPSSA-N 436.533 5.371 30 40 IKEB Cc1nc2ccccc2c(=O)n1/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409216302 GTTBOLBQIZYAHA-OCSSWDANSA-N 442.522 5.743 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2Cl)n1/N=C\c1ccc(Cl)cc1Cl 5706447 QLLFZAVVOKHSGA-ROTLSHHCSA-N 428.706 5.906 30 40 IKEB C/C(=N\O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]12C 8789863 DSFGOUABGWEHRO-JRUDZWHXSA-N 449.591 5.772 30 40 IKEB biogenic COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 8820997 AELYXULBDWPQTH-YBFXNURJSA-N 445.327 6.154 30 40 IKEB COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1 9264188 HANDTTIIHNGZHT-HHHXNRCGSA-N 444.962 6.529 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Br)cc1 9635938 FMSCHFWHVYOSSH-JOCHJYFZSA-N 432.361 6.803 30 40 IKEB N#CCc1ccc(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 9910488 LZPHMDIMECNIGU-UHFFFAOYSA-N 436.587 5.664 30 40 IKEB CCCC1CCC(=Nn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\C2CCCCC2)CC1 12312107 YYLIPENMSWBHEO-HRGWNAHFSA-N 440.613 6.553 30 40 IKEB CCc1ccc(/N=C2\C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)cc1 12413232 NVVNULYIJWROEX-HYOGKJQXSA-N 437.587 5.629 30 40 IKEB COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 12564705 NARKYBNNZQLZNN-RVDMUPIBSA-N 440.499 5.461 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccc(OC)cc4)Cc4ccco4)[C@H]3C[C@@H]12 12864677 ACEUHIHDDORUHP-BZTMQRDQSA-N 449.591 5.605 30 40 IKEB biogenic CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(Cl)c1 13286476 KIHNHOGJELRPDK-MGXYOJEMSA-N 431.970 5.343 30 40 IKEB Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2C)c(C)c1 16284697 WWKCWJDSPSBYRA-PLFABGOGSA-N 429.563 7.950 30 40 IKEB Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2C)cc1C 16362645 CDSLPVZVKDXMAX-VMCVTNGESA-N 429.563 7.950 30 40 IKEB CC(C)(C)c1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 17208610 BIWIANULJYGITI-UHFFFAOYSA-N 428.383 5.876 30 40 IKEB Clc1ccc(/C=N/Nc2nnc(N/N=C/c3ccc(Cl)cc3)c3ccccc23)cc1 17418790 MFKLZVQXLMLDEA-BKHCZYBLSA-N 435.318 5.829 30 40 IKEB COc1ccccc1CN/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 20762134 PBVSTSKKWILLIG-CCVNUDIWSA-N 438.358 6.129 30 40 IKEB CC(C)CCN1C(=O)/C(=N\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 102051483 BKHASKDTPWHZNH-VEILYXNESA-N 428.376 6.238 30 40 IKEB CCCCCCCC/C=C/CCCCCCCC1=NCC[N+]1(CCO)Cc1ccccc1 104329526 CJGFHQKQMUQVGD-MDZDMXLPSA-N 441.724 7.445 30 40 IKEB Cc1c(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1 408850776 QYVCNLSYVRUXOO-PCLIKHOPSA-N 438.369 5.444 30 40 IKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 408863507 OVXXFIJKGJPSQP-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CCCCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 408911567 KCNVLFKHLFLZLH-ZIGJTDFESA-N 429.383 6.162 30 40 IKEB Cc1ccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408961800 NXXRGRSRHNCLAS-LDADJPATSA-N 428.344 5.984 30 40 IKEB C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OCC 409078295 HHRJFNSAYVKDLY-MOHJPFBDSA-N 438.527 5.657 30 40 IKEB CCCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N/c1ccc(Cl)cc1 409087119 AQGNBVQOZABVKL-UKUDRTMLSA-N 435.774 6.117 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)o1 409171821 BEGUGCBIDAVEFS-NHDPSOOVSA-N 445.456 5.271 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)cc1Cl 409212145 PNFGZPMQAGRRSQ-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)S/C1=N/c1ccc(F)cc1 409233846 IAEQXOMMMYWBBG-RIUHWNRSSA-N 425.916 5.894 30 40 IKEB Cc1ccnc(Sc2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)n1 409274570 PRXGPZLXSBOTIU-WEPAEKJRSA-N 436.606 6.364 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O)cc2)cc1C(C)C 409290260 KPWWBKQOTQZGHO-UHFFFAOYSA-N 427.504 5.092 30 40 IKEB CCOc1c(Cl)cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1OC 409298485 OEMZELZPIWHFOI-UHFFFAOYSA-N 439.943 5.387 30 40 IKEB N#Cc1ccc(CSc2nnc(CNc3ccc(F)cc3)n2Cc2ccccc2)cc1 923530 PBJKVEQKSIUHTF-UHFFFAOYSA-N 429.524 5.242 30 40 IKEB Cc1ccsc1/C=C1/S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 2141594 QTMBFHSEKDXTSD-WNIMSWJZSA-N 443.597 6.385 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1C 2352460 RERAQACNWOVZFG-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB C#CCOc1ccc(-c2nnc(Nc3cccc(Br)c3)c3ccccc23)cc1 2371374 UZICIOLXLKEXNV-UHFFFAOYSA-N 430.305 5.815 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])cc1 3028590 NYKSDEXOHXQEEK-WYMPLXKRSA-N 447.343 6.912 30 40 IKEB Cc1cc(C)n(C(=S)CSc2nc(-c3cccs3)cc(-c3ccco3)c2C#N)n1 8396121 YGPAVLSOCVRIJM-UHFFFAOYSA-N 436.587 5.723 30 40 IKEB COc1ccc(N2C(SC)=N/C(=N\c3cccc(C(F)(F)F)c3)C23CCCCC3)cc1 8763988 REIGONRQIWHGBO-OOAXWGSJSA-N 447.526 6.686 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)c1C 8886298 NWCLVJQCBKLLNE-HTAPYJJXSA-N 449.624 5.671 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccccc1C 8927051 RSWJBZHXCCEBMG-ZMPCKTLKSA-N 439.606 5.778 30 40 IKEB C=CCn1c(SCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccccc21 9609739 NAMDDMJRMHHDQM-KRWDZBQOSA-N 448.617 5.330 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 16268381 PKOYJLPSDKGFEU-NDENLUEZSA-N 425.916 5.778 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)o1 16283270 BIHGSUCFWPZWCG-MZJWZYIUSA-N 441.418 6.861 30 40 IKEB Cc1cc(C)nc(/N=C(\N=C(/O)C(C)(C)C)NCCc2c[nH]c3ccc(Cl)cc23)n1 17780636 SDCLJRVKBVTNGE-UHFFFAOYSA-N 426.952 5.051 30 40 IKEB C=CCc1cc(/C=N/NC(=S)NCC)cc(OCC)c1OCc1cccc2ccccc12 33666403 OYECYNAVGSOZQT-OGLMXYFKSA-N 447.604 5.364 30 40 IKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 100306552 WYFIMJBZABAQJN-XJBRANNNSA-N 437.568 6.323 30 40 IKEB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1cccc2ccccc12 100527868 KFZZDEQYYGIXTQ-SZXQPVLSSA-N 445.935 5.807 30 40 IKEB CCCCCCCCCCCCNS(=O)(=O)NCCCCCCCCCCCC 101464270 RSWCXNMRPXFJNP-UHFFFAOYSA-N 432.759 7.252 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H]1SC2c3ccccc3C1c1ccccc12 102579512 QJNFXQRNAOKHEU-NRXISQOPSA-N 442.346 6.805 30 40 IKEB C=CCO/N=C(\CCC)C1/C(=N\OCC)CC(C[C@H](C)SCC)C/C1=N\OCC 102909773 MSKXSYDVWIKAML-FQELQJNNSA-N 425.639 5.688 30 40 IKEB CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525261 BAIIQUGUEDLICS-UHFFFAOYSA-N 426.163 6.551 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1)N1CCc2ccccc2C1 408728956 BGWFYMMVNFBXBV-AFUMVMLFSA-N 445.371 5.491 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408975776 NCVUQFUSWWYBAY-AFUMVMLFSA-N 432.480 6.279 30 40 IKEB COC(=O)c1ccccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409188123 AWQPXHTZPZMDCU-SSVJFZKPSA-N 446.572 6.568 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 409200213 HNCWPSNVKNAIRX-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 409209510 CBFFJODJIKNBDO-CVKSISIWSA-N 438.365 6.658 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 409216021 DATUOLMESAACPZ-ZMOGYAJESA-N 439.309 6.304 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(OCC)c1OC 409341476 BGCXOWCCTNXUED-UNOMPAQXSA-N 429.538 5.367 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1OC 409381056 RGZRHQUIANVKEK-WJGWSCHNSA-N 444.358 7.722 30 40 IKEB N#Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)c2ccccc2Cl)cc1 1514820 XXEMHPXHHSNSIJ-UHFFFAOYSA-N 439.696 5.457 30 40 IKEB N#Cc1c(NC(=O)COc2cccc3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 2066404 IRLMUXSPTNFFCF-UHFFFAOYSA-N 444.490 6.656 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2165138 GDWZBCGLGZEQML-YBEGLDIGSA-N 438.719 5.900 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@](C)(CC)OC3 2208310 FAJNVYNERQZVOQ-HSZRJFAPSA-N 426.607 5.416 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(Nc4ccccc4)s3)c2C#N)C1 2626942 OXDHHQYCDWXIAB-GFCCVEGCSA-N 441.607 5.070 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2cc(/N=C/c3ccccc3O)c(Cl)cc2Cl)cc1 3202179 HVNUMQMNHVMHQF-FSJBWODESA-N 435.332 5.559 30 40 IKEB C=CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccccc1OC 3408000 RQABYHLIAJVIRI-UHFFFAOYSA-N 434.590 5.864 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 8427354 ORDAQYJPJNSNSJ-CYXNTTPDSA-N 433.486 5.418 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C(F)(F)F)cc1 8846697 SWLSQKIALIIEJM-HFJWLAOPSA-N 448.488 6.993 30 40 IKEB COc1cccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)c1O 8916802 HEBKHGUEIXZJEZ-VWLOTQADSA-N 440.499 5.218 30 40 IKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC 9129833 OJTUKUXDZSBQNV-VWLOTQADSA-N 448.563 5.503 30 40 IKEB COc1cccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c1OC 9215581 YLWXIYQPGAHYOH-JJFYIABZSA-N 440.854 5.692 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1 9216572 KHMPSGMVRIWTHT-ILBGXUMGSA-N 427.460 5.402 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c2ccccc21 9421935 WKKKPHVCKBADSO-ZVHZXABRSA-N 441.458 5.944 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)O)cc1 9482753 UWCGSSAXVGVYTG-VWLOTQADSA-N 432.520 5.003 30 40 IKEB C/C(=N\OC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)c1ccccc1 12844589 CRPWWXZGLUDEJF-XODNFHPESA-N 449.429 5.361 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C)c1C 13841998 MVSLYHGNNQJRID-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3cccc(Cl)c3)c2c1 15880503 UTVHGLMWKNPVFA-UHFFFAOYSA-N 447.918 6.969 30 40 IKEB biogenic O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 19647230 XICDTYAETWKQBQ-CRYYWNKWSA-N 448.501 6.072 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cc(Cl)cc(Cl)c1 32611769 RNSMTEBTDXTQKR-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(F)c(F)c3)c3ccccc3S2(=O)=O)c(C)c1 32984275 LCEZHEPHUXDBGN-UHFFFAOYSA-N 425.456 5.231 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 33958431 MTNMUFPQPPTRAG-VULFUBBASA-N 449.963 6.497 30 40 IKEB COC(=O)c1ccc(/C=N/Nc2nc(-c3ccc(C)cc3C)c(-c3ccccc3)s2)cc1 59474896 WPTJLLVYNJJUJE-JVWAILMASA-N 441.556 6.327 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)SC1=S 98087073 HHWZJVZFFDQEHR-UNOMPAQXSA-N 431.966 5.315 30 40 IKEB C=CCn1c(C)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 408809695 HPLOYKHLDRQARP-PMERELPUSA-N 446.594 7.598 30 40 IKEB Clc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccccc1 408932386 WNFNNLWWVIFLMP-JVWAILMASA-N 441.358 6.160 30 40 IKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl 408934346 AGKOMRFSYHGEMD-QNAAZPGRSA-N 440.974 7.482 30 40 IKEB CC(C)c1ccc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 409284440 RHBYSFXYEQTHRL-UHFFFAOYSA-N 426.358 5.462 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1-c1ccccc1F 409285565 XPSIQLBIGICYJQ-UHFFFAOYSA-N 442.538 5.873 30 40 IKEB CC[C@@H](C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409402899 GQPXVPPTFIXUSW-QGZVFWFLSA-N 442.475 5.031 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1I 2059557 SQECGMGRURQSPK-OEAKJJBVSA-N 427.285 5.929 30 40 IKEB COc1ccc(/C=N/c2ccc(O)c(-c3nc4c(C)cccc4o3)c2)cc1Br 3114132 LCODRZVHDHCSPM-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB biogenic COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2cccs2)cc1 6156982 IADRAYWMJXEQEO-GYCJOSAFSA-N 427.529 5.522 30 40 IKEB C[C@H]1C=C(OS(=O)(=O)c2ccc3ccccc3c2)N(c2ccc(Cl)cc2Cl)N1 11691671 STOYROZZYGWKQB-ZDUSSCGKSA-N 435.332 5.107 30 40 IKEB N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1[S@](=O)c1cccc(C(F)(F)F)c1 12957150 LFKYEUMNBVOIIG-PMERELPUSA-N 432.398 5.135 30 40 IKEB C=CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)ccc1OC 15107242 YGEZDVLQHUTZIV-MRXNPFEDSA-N 435.501 5.161 30 40 IKEB Cc1cc2c(cc1/C=N/c1sc3c(c1C(=O)NCc1ccccc1)CCCC3)OCO2 16284136 FFCURMFIGBFHIR-MZJWZYIUSA-N 432.545 5.345 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccccc1Cl 16805406 CGFDRFPRPCOMSH-UHFFFAOYSA-N 439.289 7.238 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 35362397 BODQATCYWPONIV-QFIPXVFZSA-N 434.609 5.500 30 40 IKEB COc1cc(/C=N/Nc2ccccc2)cc(Br)c1OCc1ccccc1Cl 59536009 WMKTUGZCYWDVQW-ZMOGYAJESA-N 445.744 6.136 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 65748353 PMBSWZWCNKVWLV-CWRPELGESA-N 442.684 7.139 30 40 IKEB biogenic Cc1ccc(/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 102421133 JREWQHTZTNRSCL-HXNPFYCNSA-N 427.573 6.178 30 40 IKEB CN(C)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102603013 JGIXGZPRIAAVOA-MOBKVPTQSA-N 432.907 5.032 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NC(=O)Nc1ccccc1Cl 104379985 OCVHZUGRIZJLTH-UHFFFAOYSA-N 437.068 8.250 30 40 IKEB COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OCc1ccccc1C#N 113834677 DCXSLFAPEXMGGS-OEAKJJBVSA-N 441.512 5.037 30 40 IKEB CCOc1ccc(/C=C2/C(=O)C(C(=O)OC)=C(C)N2c2ccc(Cl)c(Cl)c2)cc1 408896292 XNROHOPJIBWLOZ-ODLFYWEKSA-N 432.303 5.269 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408898154 VDPRPJLRGFERQQ-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccccc1 408905619 BRJJVJSRJJMKPL-KWPJTZOTSA-N 428.557 6.280 30 40 IKEB CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)sc(C)c1C 408912449 GJKNZFXMJVOAPX-UHFFFAOYSA-N 433.529 5.412 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2cccc(F)c2)o1 409013607 MYDDGRZRILCVLO-YVLHZVERSA-N 433.291 6.284 30 40 IKEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 409030042 BWLBVXIMHOZFII-UMDHDWCXSA-N 432.679 5.012 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 409051258 BECABJFWJZDNPU-UNOMPAQXSA-N 445.993 5.623 30 40 IKEB Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1C1CCCCC1 409292926 IULHGSGAWFFGRK-UHFFFAOYSA-N 441.373 5.273 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(Cl)c(Cl)c1 409306382 QADRNOZTBAUFAX-UHFFFAOYSA-N 434.282 5.999 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 6077001 LALRTYWBIYNSER-NDEPHWFRSA-N 441.571 6.945 30 40 IKEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1 9045037 DULLNSPGQIVGSQ-OEAKJJBVSA-N 432.530 6.316 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C(=O)OC)cc1 12630266 CAQOZZZQCNHEAC-JUMVDPBBSA-N 446.528 5.259 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H]4CCCc5c4[nH]c4ccc(C)cc54)[C@H]3C[C@@H]12 12864215 LJQXLSPSQISBRZ-KLNKJKPISA-N 432.608 5.758 30 40 IKEB biogenic CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 17123935 UXKCHHHHPPYGOV-QHCPKHFHSA-N 433.508 5.394 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 19867065 BVHGKMCFFRAWEG-UQBPGWFLSA-N 431.532 5.008 30 40 IKEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102799496 OHNABPLQJBPFML-JBCNATCCSA-N 448.544 5.292 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408593072 OTHUHRHLXTYHIB-XODNFHPESA-N 434.326 6.419 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2Cc2ccccc2)cc1 408915588 YUIWMGLFBNHVLK-PIINERKHSA-N 437.568 6.291 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3cccc(Br)c3)S2)cc1 409009302 DAMHFZHYKNAACZ-UYRXBGFRSA-N 438.350 5.440 30 40 IKEB Cc1ccc(-n2cccc2/C=N\c2ccc(I)c(C)c2)cc1Cl 409010337 CFDMWOYJTHDHMM-UUYOSTAYSA-N 434.708 6.103 30 40 IKEB CCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OCC)cc1 409217061 RDKUAIPEBNWOAI-RGVLZGJSSA-N 427.136 5.760 30 40 IKEB C=CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1C 409358891 HQGREZYNKQBBTF-UHFFFAOYSA-N 442.585 5.076 30 40 IKEB O/C(=N/c1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1Cl 841597 UYRPGXUBVCRMNZ-UHFFFAOYSA-N 428.138 6.516 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)cc1 2557138 HNTMKSKJRZRWKS-MWLOVLLCSA-N 444.637 5.681 30 40 IKEB biogenic C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1C 2619834 BLLABKBKLXTLSE-UHFFFAOYSA-N 432.549 5.166 30 40 IKEB O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccc(Cl)cc1 2992769 ITNHXBIEOHMRCY-UHFFFAOYSA-N 429.719 5.890 30 40 IKEB N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1OC(=O)c1c(Cl)cccc1Cl 3051162 QXNNHGQZJYKKCL-UHFFFAOYSA-N 438.097 6.453 30 40 IKEB O=C1CCCC2=C1C(c1ccc(OC(=O)c3ccccc3F)cc1)C1=C(CCCC1=O)O2 9720496 CHRDVBASQGFNNZ-UHFFFAOYSA-N 432.447 5.173 30 40 IKEB COc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)/C=C/c2ccc(F)cc2)cc1OC 11867837 DZTWEIHZRTZXPD-BJMVGYQFSA-N 440.854 5.612 30 40 IKEB CCN(CC)c1ccc(/N=C2/C(C(C)(C)C)=Nn3c2nnc3-c2cccc(C)c2)c(C)n1 34536217 ODBHPUXWMUDERE-MEFGMAGPSA-N 429.572 5.188 30 40 IKEB Cc1cc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@@H]3C2(C#N)C#N)c(C)c1 95480982 YYJOHIQCSCXTOM-IEUSDUHPSA-N 444.538 5.291 30 40 IKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 106920945 QBXBEBVLSQZLFW-RPBOFIJWSA-N 444.604 5.716 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 224469559 AWJMOBCCPBTGEC-UHFFFAOYSA-N 448.588 5.439 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1cccc(C(=O)O)c1 408607328 JYPSKNDDWCKALJ-UHFFFAOYSA-N 441.119 5.087 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccc(C(=O)O)cc4)N(C)C3=O)c2C)cc1 408793298 OHDMXPNEOFCJEO-AMQQTSRNSA-N 445.544 5.335 30 40 IKEB CCOC(=O)Oc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1OC 408861702 FYRLALCXMZPWPM-ZDLGFXPLSA-N 446.912 5.084 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408911604 ODTDZIRUJIPQOZ-ROTLSHHCSA-N 439.302 6.351 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(Cl)cc1 409078817 JMJVEQNNOLWZPY-FCLJHQGSSA-N 439.795 6.907 30 40 IKEB C=CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 409078819 JMKBDQYPHKYNFM-ACWMPWAISA-N 446.959 6.713 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1 409208805 DLINZRGGRHPQGI-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 409210932 HOKMVUKIHYDRRO-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 409211830 OJSIXNPIGNYZNT-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)S2)c1 409218448 VGWAIWWUZGXGQZ-XKZIYDEJSA-N 445.544 5.301 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(-c4ccccc4)cc3)c3ccccc32)o1 409391938 KJVBJGQNTFLNBM-STBIYBPSSA-N 434.495 6.487 30 40 IKEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O 1081801739 UTXXZOLHNGBYPU-LSCMLXDISA-N 449.462 5.301 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OC 1531254844 LOZVSGNCMWRTSL-MIDUAYCOSA-N 448.748 5.217 30 40 IKEB Cc1c(/N=C/c2ccc(Sc3nc4ccccc4s3)o2)c(=O)n(-c2ccccc2)n1C 711987 KFIGDALUGGHDDJ-ZVHZXABRSA-N 446.557 5.589 30 40 IKEB C#CCN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 1143360 IEKMDENAYOCECQ-YVLHZVERSA-N 448.378 5.075 30 40 IKEB CC[C@@H](/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC)cc1)C1CCCCC1 4265978 LTJAWEGODMRXLB-XMVGPFMNSA-N 440.500 5.934 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)c(C)c1 8821227 NYEDDSBHJOJRAR-YBFXNURJSA-N 443.355 6.762 30 40 IKEB COc1cccc(C(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)c1 9034239 DQMZDQOJGWJDFG-UHFFFAOYSA-N 428.435 5.623 30 40 IKEB COc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)o2)cc1Cl 15011788 URWRZNMVWVLYGW-YBFXNURJSA-N 445.327 6.154 30 40 IKEB CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 19867686 GLFSTRZNWIAVBZ-UHFFFAOYSA-N 432.574 5.453 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(Cl)cc4)NC3=O)c2C)c1 27520697 WVSGKKHBDQIDEU-XKZIYDEJSA-N 435.980 6.256 30 40 IKEB CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)o2)CC1 27991425 NQRWHOOLRLPDTO-HQOBLLPJSA-N 437.632 5.791 30 40 IKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O 34112429 GAKVNINHIOJQFK-RRBXKDKASA-N 442.477 6.410 30 40 IKEB CCCCc1ccc(S(=O)(=O)Oc2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)cc1 100164386 GPKGNJXKKOCGFY-PCLIKHOPSA-N 437.517 5.276 30 40 IKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2[C@@H](C)CC1(C)C 198095970 KMFOPKYSPKYMHP-ZUSSYJGPSA-N 428.576 7.350 30 40 IKEB CC(C)n1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 408886037 CYGHECKHUCUEJQ-UHFFFAOYSA-N 430.592 6.195 30 40 IKEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1[N+](=O)[O-] 409206825 QGXSNKHMOGUDQO-ZZXKWVIFSA-N 446.246 5.451 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl 409246647 KCKFQPUJGYCUTE-ZGXHQARYSA-N 435.376 6.371 30 40 IKEB CCOc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(Br)cc1 409264183 NLAUJMCVORAWNY-BUVRLJJBSA-N 425.326 5.873 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409362050 QXQQHWPPCDXDMQ-UHFFFAOYSA-N 445.013 5.282 30 40 IKEB C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC1=S 2851957 GJPFNTOSGVRMJI-WQRHYEAKSA-N 436.385 5.960 30 40 IKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(C)c1Cl 3085039 HQVLTBGGPRFZOU-NSKAYECMSA-N 445.733 7.528 30 40 IKEB Clc1cccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c1Cl 3113200 BDYOJMOVYDZSKP-BHGWPJFGSA-N 446.131 7.315 30 40 IKEB CCOc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 8399862 FZFSZHXVPDKCMF-CKNUFSEASA-N 445.566 7.192 30 40 IKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl 9262154 SXGNOUVBAFXKEW-CVKSISIWSA-N 428.363 5.988 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2c(Cl)cccc2Cl)SC1=S 12285467 JOGOVARKRNQNBZ-WQRHYEAKSA-N 436.385 5.960 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@@H]2c1ccco1 12406651 PKBRESAPLDCYQM-JWQCQUIFSA-N 440.499 5.765 30 40 IKEB O=C(/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 12600767 TXKFZDXZMNXYKN-PLRJNAJWSA-N 430.507 6.565 30 40 IKEB Cc1nc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)cs1 12798467 FIBYSZDQIJVAPR-UHFFFAOYSA-N 441.581 6.535 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(C)cc1 14082390 LIDXFNCNNLCJCF-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)ccc1OC(F)F 15979222 XMJHMAUYYGJJRA-QHHAFSJGSA-N 436.304 5.396 30 40 IKEB Cc1n[nH]c2c1C1=C(C(=O)[C@@H](C(C)(C)C)C[C@@H]1C(C)(C)C)[C@H](c1ccc(N(C)C)cc1)N2 16265946 JVUXTMQBVQQAIR-YDHSSHFGSA-N 434.628 6.002 30 40 IKEB C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cc(C)cc(C)c2)S1(=O)=O 20063589 MOROOSWBVUBYPT-UHFFFAOYSA-N 444.556 5.037 30 40 IKEB Cc1cc(Cl)c(O)c(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 32114982 IOQIWNPEWBRBSI-JQAMDZJQSA-N 433.241 6.844 30 40 IKEB CN1/C(=C\C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)C(C)(C)c2ccccc21 32638792 PIYVOMOMTSZOKO-NVNXTCNLSA-N 439.726 5.079 30 40 IKEB CCOc1cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)ccc1OC 50647521 LSBNUOLVUHDMGP-ZHZULCJRSA-N 437.499 5.875 30 40 IKEB CCCCCCCCn1c2cc(Br)sc2c2sc(Br)cc21 97972199 IJEKMGUFKKPWLT-UHFFFAOYSA-N 449.277 7.803 30 40 IKEB in-vitro C=CCn1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 100060928 CWUYIEYEXRLKTG-MBTHVWNTSA-N 443.572 6.041 30 40 IKEB C=CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408565034 BALIGVUZVIJGIL-QGZVFWFLSA-N 445.313 5.303 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C\c2cc3c(cc2Cl)OCO3)sc2c1CCCC2 408916153 VGNMFKSQFXPSPP-ROTLSHHCSA-N 438.936 6.012 30 40 IKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OC 409087240 XUORZHZULGJXQA-WEPAEKJRSA-N 431.001 6.582 30 40 IKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c2ccccc21 409193100 BQQAJPVCGAAIMA-KGENOOAVSA-N 427.573 5.813 30 40 IKEB Cc1cccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1C 409209786 IRFXTSBAGCIOHO-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Cc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 409216964 MRVFHYBBUDCMSP-JVWAILMASA-N 430.345 7.240 30 40 IKEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1Cl 409280589 KPUUKLGRZKJRDU-UHFFFAOYSA-N 439.140 5.471 30 40 IKEB CC[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409407240 SVIBLUKUGAXGPR-LJQANCHMSA-N 440.547 5.189 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(-c3ccc4c(c3)OCO4)ccc2C#N)cc1Cl 662217 DLFDUNGDCYEUMX-UHFFFAOYSA-N 437.908 5.042 30 40 IKEB COc1ccc([C@H](CC(=O)c2ccccc2)[C@H](C#N)c2ccc(Br)cc2)cc1 1084380 HPQCQYKQZYRGAA-XZOQPEGZSA-N 434.333 6.122 30 40 IKEB C(=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1c2ccccc2cc2ccccc12 2891446 FGTPSMHDCWRYSK-NDZAJKAJSA-N 425.491 7.461 30 40 IKEB Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccccc3)S2)c1 12465377 JEUWQKBPCPMTGM-WNMDNWPKSA-N 443.572 5.198 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(OCc4ccccc4)c3)c2C#N)C1 14273286 WNLNJDZWUSKGFJ-HXUWFJFHSA-N 444.600 6.602 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)c1c([nH]n(-c3ccccc3)c1=O)N2 18196062 OAQLJFMJSUJXHE-GOSISDBHSA-N 426.303 5.037 30 40 IKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1OC 32115348 VESKJCRMSJDCDT-SSDVNMTOSA-N 439.737 5.696 30 40 IKEB CCCCOc1ccc(/C=C2/CN(C)C/C(=C/c3ccc(OCCCC)cc3)C2=O)cc1 33570896 LMQMJYFVRFKJSJ-GJEUYDLNSA-N 433.592 6.026 30 40 IKEB CCCCCCCCCCCCCCCC(=O)OCC(C)(C)[C@H](O)C(=O)NCCC#N 97949436 BUAOZWHUTYXTJD-HSZRJFAPSA-N 438.653 5.428 30 40 IKEB O=C1CCCC[C@H]1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100115646 ZSCSEYRTJFTOQR-RXMQYKEDSA-N 444.187 5.054 30 40 IKEB CCCCCCCCCCC(=O)N([C@@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1C[C@H](C)CC(C)(C)C1 104359680 DQHFFAOTHZXUGF-XDZVQPMWSA-N 433.765 8.775 30 40 IKEB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCCCC#N 107133573 LIODNKKPJCSDTJ-XWSJACJDSA-N 428.577 5.779 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O 214199593 VPBPESUNCJPWDZ-WOJGMQOQSA-N 448.313 5.390 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 408858936 UQNPFMZPFVCNFU-HAHDFKILSA-N 430.529 5.474 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 408912700 QZFXCHUKDNEPRS-AWBWHEFQSA-N 434.948 6.411 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1ccc(C)cc1 408915354 XSZNVYHAQFZZJL-DNLCFCFBSA-N 445.382 5.780 30 40 IKEB CC/N=C1/S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)N1CC 408928927 GDAVMUYMPVNASL-VBJFXANNSA-N 437.996 5.964 30 40 IKEB CCOCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccccc1 408929469 JWSMEPBLLXPHOT-RVIYGNEXSA-N 437.348 5.340 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC 408940332 NUUAYLBDFIVHFW-NXDGOGJJSA-N 434.539 6.284 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(I)cc2)o1 408960415 FQFAVILAVJHGTK-NHDPSOOVSA-N 431.229 5.308 30 40 IKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409125928 BIWUCFUOHJMOFI-UHFFFAOYSA-N 446.547 6.476 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(OCC)c1OCC 409198600 IJCMYZFFICVDJF-XSFVSMFZSA-N 442.606 5.168 30 40 IKEB CCOc1ccc(/N=C/c2cc(Br)c(OCC)c(Br)c2)cc1 409200070 GHKYQFXKXHUOHW-RGVLZGJSSA-N 427.136 5.760 30 40 IKEB CCCCCCCn1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 2420845 BANLSISJZGVLBP-UHFFFAOYSA-N 443.595 5.500 30 40 IKEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@H]1COc2ccccc2O1 3288831 SVEMUGQVYOCDBN-HXUWFJFHSA-N 448.573 5.392 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc23)C1=O 4872147 AGIIGYPVATZIIW-MLKPGFSBSA-N 444.604 5.540 30 40 IKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)cc1Cl 9196477 FDNYPKHPPUIXAH-KIBLKLHPSA-N 441.189 6.831 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 9271601 UIMJMNCRBOQYJC-GOSISDBHSA-N 440.546 5.003 30 40 IKEB C(=N/Nc1nc(-c2ccccc2)cs1)\c1c(OCc2ccccc2)ccc2ccccc12 12285068 JSIXWYSIJCQBSD-OGLMXYFKSA-N 435.552 6.988 30 40 IKEB Cc1cc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n2c(nc3ccccc32)c1C#N 13148677 RSOLWRIPFYTORN-UHFFFAOYSA-N 441.343 5.705 30 40 IKEB C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccncc1 14069303 PQCFORSISUTZBS-NRFANRHFSA-N 445.523 5.137 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccc(Cl)cc1 16805399 OZVVKYCJAZLBRG-UHFFFAOYSA-N 439.289 7.238 30 40 IKEB CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 17837455 HZTRSTRWVNEPOR-XMMPIXPASA-N 446.616 5.960 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@H](C)C3)C2=O)c2ccccc21 28182842 NZJVEMLDYNICJQ-AXKXHUOPSA-N 430.548 5.461 30 40 IKEB CCc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)cc1 32984410 IRYPEJRBELQTPJ-UHFFFAOYSA-N 435.520 5.655 30 40 IKEB Cc1cccc(Cn2cc(/C=C3\SC(=N)[C@@H](c4nccs4)C3=O)c3ccccc32)c1 35352352 UKVDJUXDOGAWBA-YFPORYOGSA-N 429.570 5.872 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccccc1 59223937 ZBQZNXFQXPPZIZ-IWIPYMOSSA-N 444.556 5.783 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)Nc1cc(Cl)ccc1Cl 100309868 VOAXRBMMVYVVSE-UHFFFAOYSA-N 429.476 8.596 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)c1c(nn(-c3ccccc3)c1O)N2 100421493 FQNBGXGKYSKSJR-YKSBVNFPSA-N 433.511 5.536 30 40 IKEB CCc1cccc(C)c1/N=C1\N=C(SC)N(c2ccc(Cl)cc2)C12CCCCC2 100687068 PFTDZGBGMCQDIG-ROMGYVFFSA-N 426.029 7.183 30 40 IKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c(C)c1 101650317 NADKLLGITJNRKU-XGTYDZQNSA-N 436.364 5.200 30 40 IKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1Cl 101651076 RSCVEDWESTWIIO-OCLJWFPGSA-N 436.364 5.200 30 40 IKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C(CCCC)=N/O)cc2)cc1 103012441 CHYHMZBUHUCALD-IMVLJIQESA-N 425.569 7.014 30 40 IKEB CCCCCCCCCCCC[N+]1(CCCCCCCCCCCC)CCC[C@H](C)C1 104157766 UXDJANHQHKRWCL-PMERELPUSA-N 436.833 10.075 30 40 IKEB CC1(C)Cc2cc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)ccc2O1 408710767 JRGMDAAOIABRLC-YWQSIKCOSA-N 426.541 6.209 30 40 IKEB Cc1ccc(C(=O)Oc2ccccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408885706 FGDOJAJICJLTDR-STZFKDTASA-N 448.931 5.759 30 40 IKEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O 408912354 PYBVMRHASQDFHF-BUWHHMLQSA-N 437.568 6.323 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N/c1ccc(Cl)cc1 409085386 OIHUVBNDJASMMG-YVQDBNNVSA-N 444.940 5.063 30 40 IKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 409103419 GVYGVQAEZOHUTN-OUKQBFOZSA-N 435.476 5.322 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 409202699 TUNHWFNROZQOQE-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB CC(C)c1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 409279399 HHVQVEXLUKYBHL-UHFFFAOYSA-N 435.449 6.088 30 40 IKEB CN(C)c1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409378430 PCGGRRBJONWKJP-WGARJPEWSA-N 425.891 5.313 30 40 IKEB CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c2)OC1(C)C 2048474207 WGOWPZXAJSQQDQ-UHFFFAOYSA-N 433.360 6.382 30 40 IKEB CCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)cc1 1080215 LUHXGQBPZJLMON-PIKZIKFNSA-N 446.550 6.592 30 40 IKEB Cc1ccc(S(=O)(=O)OCCOCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 1761812 CYNWWPGUCUTIKH-UHFFFAOYSA-N 448.625 5.510 30 40 IKEB C=CCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 2295716 UIFLNHOJCKXOKB-UHFFFAOYSA-N 428.601 6.244 30 40 IKEB biogenic CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2410966 OUOHHSITXBUNRV-UHFFFAOYSA-N 425.536 5.562 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1O 3068529 RTWXNTYBSSWHLF-WYMPLXKRSA-N 437.839 5.911 30 40 IKEB C=CCn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 3308728 XTZJSIZTAIQGFJ-UHFFFAOYSA-N 437.594 5.019 30 40 IKEB O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccccc2[N+](=O)[O-])sc2c1CCCC2 4510721 KJDBKCWLYUQUQK-ZMOGYAJESA-N 439.924 6.191 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 8817388 FJEKASOJDJPVBY-HOFKKMOUSA-N 442.515 5.511 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 9108749 VFHDBDAPZSDXOT-NRFANRHFSA-N 448.862 5.340 30 40 IKEB CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc(C)c2)cc1 9443438 NLOVYPAVDGMBLK-UHFFFAOYSA-O 434.541 5.112 30 40 IKEB CCOc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccccc2)cc1 9446421 QBVIKVKNAFUIKY-KFGDZMGLSA-N 425.484 5.268 30 40 IKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1 16035564 LZOJAUBIMREAQP-WUXMJOGZSA-N 441.386 5.893 30 40 IKEB CN(C)c1ccc(/N=C2\C(c3ccccc3)=CC(c3ccccc3)=C2c2ccccc2)cc1 17241524 DAMNZEXCJWTEKJ-QNEJGDQOSA-N 426.563 7.533 30 40 IKEB Cc1ccc(/N=C2C(=C\Nc3ccc(C)cc3)\CCc3c\2c(C)nn3-c2ccccn2)cc1 18140210 PUPPBZVRWXBMAI-MPIXVDDRSA-N 433.559 6.256 30 40 IKEB COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O 32115416 WNLYCMJYHQOVHD-JQAMDZJQSA-N 449.240 6.545 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1C 33570991 UEKSLJLMYODZEO-NDZAJKAJSA-N 446.554 5.916 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 34688514 AWIUKRRXXLKOBR-MSIOFZDNSA-N 448.910 5.015 30 40 IKEB CC/C(C)=N\Nc1nc2c(Cl)cc(NC(=O)c3ccccc3Cl)c(Cl)c2s1 72229014 SFFKMJJPUOUQQV-OPVMPGTRSA-N 441.771 6.707 30 40 IKEB CCCCCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 97940396 YNBRJYJMWHBLJM-QFIPXVFZSA-N 431.576 7.109 30 40 IKEB CCN1/C(=C2/S/C(=N\c3cccc(C)c3)N(C3CCCCC3)C2=O)Sc2ccccc21 100201156 DPUUKHIHTTXBCO-SLJQUXCSSA-N 449.645 6.692 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccc(C)cc1O 102150221 KHCCQYHRDHALJV-QUOYTPRUSA-N 445.997 5.738 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@@H]3c3cccs3)sc2c1 102804449 AJLACHGHSQMVBT-NHFXJNLRSA-N 446.553 5.547 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)s1 137562355 FQQPVXOSDRGSML-IXPXTECGSA-N 436.606 5.543 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)S2)cc1 408764081 LEAGHDABXYFDQA-HMAPJEAMSA-N 445.544 5.246 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408913828 RPXSKONGAJPFQL-COBJSXJPSA-N 429.929 5.959 30 40 IKEB CC[C@@H](C)Oc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409038549 PESCTAZZDVWRDW-FVYVAXIKSA-N 439.169 5.340 30 40 IKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC 815911 AVDNCSPUPQTZCG-WTYVLRPYSA-N 440.543 5.992 30 40 IKEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)c(OC)c1 1080670 JQWFQKQZQDOHLD-DEOSSOPVSA-N 425.488 5.225 30 40 IKEB CCOc1cccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O 3150254 AOLCAXJESIHWEM-BRJLIKDPSA-N 427.287 6.657 30 40 IKEB CCN(CC)CCn1c(/N=C/c2ccc(OCc3ccccc3)cc2)nc2ccccc21 4741740 UZOZUMDLTHUBSP-VFCFBJKWSA-N 426.564 5.708 30 40 IKEB Cc1c(Cl)cccc1N/N=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1 8443237 KOBHLGOVELPZLX-LSHDLFTRSA-N 433.689 5.815 30 40 IKEB CCOC(=O)c1ccc(NC(=O)c2c(/N=C/c3ccc(OC)cc3)sc3c2CCC3)cc1 9907651 KUZGLUDFUVUONE-CVKSISIWSA-N 448.544 5.425 30 40 IKEB O=C(N/C=N/OCc1ccc(Cl)cc1Cl)NOCc1ccc(Cl)c(Cl)c1 12956289 DNBSWVAHYWHWHV-UHFFFAOYSA-N 437.110 5.191 30 40 IKEB CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(N2CCOCC2)cc1 13286298 RQIDYPMJQCDFIZ-KBEOOMRJSA-N 448.375 5.064 30 40 IKEB COc1cccc(/C=N\c2ccc(N(C)C)cc2)c1OCc1ccc(Cl)cc1Cl 16186407 WJFSQIFQKBKHBG-WGARJPEWSA-N 429.347 6.398 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1O 19648246 KJCUIODJRMGZRU-NEZLHVBRSA-N 448.950 7.517 30 40 IKEB COc1ccc(CN/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1OC 20196040 IDTOTDGWIOAOQI-RWPZCVJISA-N 433.939 5.484 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(OCC)cc1 97464885 DLGWNTCNKOEYDP-POHHJLCXSA-N 430.957 5.761 30 40 IKEB O=C(C[C@H]1S/C(=N/C2CCCCC2)N(C2CCCCC2)C1=O)Nc1ccccc1Cl 103886023 DWWBWNFSUIRQRR-XMVGPFMNSA-N 448.032 5.634 30 40 IKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc2cccc(OC)c2o1 107605407 CQLATLOQNZVLKO-UHFFFAOYSA-N 446.359 6.485 30 40 IKEB CCNC(=O)O/N=C1\CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)NCC)CC[C@]4(C)[C@H]3CC[C@]12C 118930656 SNAZURKPPNBWIB-TZMXKYGUSA-N 445.604 5.166 30 40 IKEB O=C(OCCCC(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)Br 169795821 INZRAYBCBRRWEH-UHFFFAOYSA-N 429.073 5.131 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)cc2)cc1 198086276 VKKVMYWAOPTXJY-HRJIBFCWSA-N 432.995 7.913 30 40 IKEB Cc1cccc(COc2ccc(Br)cc2/C=N/OCc2ccccc2C#N)c1 408595737 MYOQTUHDZRIGAS-VULFUBBASA-N 435.321 5.759 30 40 IKEB COc1ccc(C/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408853020 KMIHTTLZKWJTFF-UUYOSTAYSA-N 436.758 6.474 30 40 IKEB O=C1/C(=C/c2c(F)cccc2Cl)S/C(=N\c2ccccc2F)N1C1CCCCC1 408861922 BTKQMLMLCZVQNG-KZPCVOCJSA-N 432.923 6.555 30 40 IKEB CCOc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1F 408931100 HDZFQJWZXUIEPK-MUXKCCDJSA-N 432.417 6.268 30 40 IKEB COc1cc(/C=C2/C(=O)ON=C2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 408978391 ZFNBOFXKGWIPQC-XQNSMLJCSA-N 441.527 5.916 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccc(Cl)cc1 409114530 GYIGSTWBHRZTJC-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1Cl 409222024 BDZMSKITBRGGKH-KRDYEMGESA-N 449.334 5.768 30 40 IKEB N#Cc1ccnc(Nc2nc([C@@H]3CCCCN3Cc3cnn(C4CCCC4)c3)cs2)c1 585295358 WNJKDOLRBZKQEG-NRFANRHFSA-N 433.585 5.192 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2038218766 MHAVMNJPXLZEIG-XVCZCDOQSA-N 438.696 7.412 30 40 IKEB COC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c(C#N)c1C 996140 IIAGDACGXBCXJP-UHFFFAOYSA-N 431.473 5.084 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 2183483 FYCUAADPEGICQK-UHFFFAOYSA-N 426.651 6.448 30 40 IKEB CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCC 8386491 OMQXJSWEEKPJGU-RUZDIDTESA-N 447.660 6.464 30 40 IKEB COc1ccc(S(=O)(=O)/N=C2\C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1 8439128 QYZCSPNUINRXON-YYDJUVGSSA-N 449.553 5.054 30 40 IKEB N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1SCC(=O)OCc1ccccc1 8965426 UEHZUYCJAOBKQF-UHFFFAOYSA-N 426.497 5.716 30 40 IKEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 9380433 HZYBHUSUBXHFHT-WOOPDLCSSA-N 449.428 5.888 30 40 IKEB N#CCCn1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc21 9867898 HQWQGEVGKBNZRB-GNNUASRNSA-N 426.545 5.542 30 40 IKEB c1ccc(C(=NNc2nc(-c3ccccc3)c(-c3ccccc3)s2)c2ccccc2)cc1 13302866 QJMHXEBAENCNNB-UHFFFAOYSA-N 431.564 7.342 30 40 IKEB Cc1ccc(/C=N/Nc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc1 16751374 QEHLAPSZERQTKB-CVKSISIWSA-N 430.508 5.956 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cc4ccccc4o3)c2C#N)C1 17101605 PADFLBXZWFDJNL-AWEZNQCLSA-N 437.590 5.644 30 40 IKEB Clc1ccc(/C(=N\c2ccccc2)[C@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 17352827 UWSHCXPHJCVWGB-PLBDZPIRSA-N 431.366 7.968 30 40 IKEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCN(c3ccccc3)CC2)n1 19820401 CLLSVUBWXFQQSC-UHFFFAOYSA-N 443.620 5.361 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c1 27533681 ULXRMSDTWKSGHD-LZYBPNLTSA-N 442.846 5.268 30 40 IKEB CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1C 32672369 YCFXQLNAAFVZPJ-LLVKDONJSA-N 441.862 5.256 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(Cl)cc1Cl 59176652 SSUHHKDCVRQQLZ-UHFFFAOYSA-N 434.392 6.259 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2)ccc1OC(=O)c1sc2ccccc2c1Cl 59500683 FIPHOQGTZZQYFH-VULFUBBASA-N 435.932 6.842 30 40 IKEB CCc1ccc(/N=C(\C)c2c(C(F)(F)F)nn(-c3nc4ccccc4s3)c2O)cc1 83317250 SIJKODRBJJMEGM-BRJLIKDPSA-N 430.455 5.910 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)s1 136336840 QQKAWCBLQQWTDL-AWQJBHPZSA-N 426.542 5.065 30 40 IKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2[C@@H](C)CC1(C)C 198101620 ODWZTOLAXRNPCT-TZDDYMTFSA-N 426.604 7.958 30 40 IKEB N#Cc1c(N=Cc2ccccc2Br)sc(-c2ccccc2)c1-c1ccccc1 245228863 HVJZZDGWXGOSTM-UHFFFAOYSA-N 443.369 7.467 30 40 IKEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1C#N 408588403 BMNVWYCQEXPKKT-CCVNUDIWSA-N 431.879 5.222 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2cccc3ccccc23)c([N+](=O)[O-])c1 408753972 CSHXWWAJUBAMPB-MFKUBSTISA-N 442.431 5.681 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 408795460 LUTXLOHCLGEOGT-DEOSSOPVSA-N 438.527 5.144 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] 408883752 VXMHPJFXSFIJTG-MZURAFEFSA-N 439.512 5.979 30 40 IKEB Cc1cc(Br)ccc1/N=C\c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C 408913617 MMEPHEKFVMXVOL-MSXFZWOLSA-N 425.326 5.922 30 40 IKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Oc2ccccc2Cl)cc1 409107266 RMNRIQIHCPJPRW-CCEZHUSRSA-N 442.740 7.093 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O 409146921 LTJAVEMEZZBALT-QNGOZBTKSA-N 436.577 5.764 30 40 IKEB Cc1oc(/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(C#N)c1C 409159880 BBGVWKWWEAJFBM-RPPGKUMJSA-N 434.293 5.732 30 40 IKEB Cc1ccccc1-n1c(C)cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1C 409276676 UZBQUCKXWOJXOC-UHFFFAOYSA-N 438.575 6.042 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Cl)c(Cl)c1 2066928 RCXMEQWTKYVIIY-QLNITERQSA-N 448.400 6.154 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccc(Cl)c1 2447541 JSCSVCSBKMPVPP-UHFFFAOYSA-N 426.973 5.639 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4c(C)c(Cl)c(C)c([N+](=O)[O-])c4O)ccc3o2)cc1 3066546 KLABRGBVFCEJIU-OPEKNORGSA-N 435.867 6.438 30 40 IKEB Clc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(Cl)c1 3115243 SPTVDLPIDMWSGO-KIBLKLHPSA-N 436.125 7.859 30 40 IKEB COCc1cc(C)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c1C#N 6177751 VLPVULZMXYSSSI-UHFFFAOYSA-N 433.558 5.330 30 40 IKEB C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 6437800 BHUDKWOFZIXCDR-FGAKPIPZSA-N 426.597 5.101 30 40 IKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)C12CC3CC(CC(C3)C1)C2 8427311 REGBTMIQQDFODC-UHFFFAOYSA-N 446.660 6.299 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccccc4)ccc3C1=O)cn2C 9422281 MNFBGVXLSMDJHY-WYMPLXKRSA-N 425.440 5.022 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)c(C)c1 12486226 ANMSONZOHGCQJK-QFIPXVFZSA-N 448.906 5.225 30 40 IKEB Cc1cc2cc3c(nc2cc1C)S/C(=N/CC(C)C)N(Cc1ccc2c(c1)OCO2)C3 12879945 UJKPTCAGMCPBON-OCEACIFDSA-N 433.577 5.700 30 40 IKEB COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3cccc(C)c3C)n2)c1 13001629 DIJKCCCZVIDOIJ-PKNBQFBNSA-N 436.533 5.358 30 40 IKEB Clc1ccc(Cl)c(/N=C2\N/C(=N/c3cc(Cl)ccc3Cl)c3ccccc32)c1 13303574 FPDNVSWHHYEFOA-UHFFFAOYSA-N 435.141 7.060 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(C)ccc1C 14133421 DEUNIQFVRSSUAW-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@H]1c1ccco1 18219501 WAPNHCQFZGTYRX-IVCQMTBJSA-N 428.488 5.355 30 40 IKEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1c(C)cc(C)cc1C 35151444 WOJUCRHNPVWQFX-UHFFFAOYSA-N 441.575 5.984 30 40 IKEB N#Cc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 72328621 PIPHGGVWHBEKPJ-UHFFFAOYSA-N 442.881 5.112 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 77312159 PMBSWZWCNKVWLV-SXOYSHEPSA-N 442.684 7.139 30 40 IKEB in-vitro COc1ccc(/N=C2\S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 100111982 CVLCOTMAMDSXPO-SHSCQTOKSA-N 434.492 5.652 30 40 IKEB CCn1c(N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)nc2ccccc21 408692680 SAQMERHBVVPBIR-CVKSISIWSA-N 434.927 5.743 30 40 IKEB CCn1c(N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)nc2ccccc21 408692771 UZUNZUZVGJMVGZ-VULFUBBASA-N 439.346 6.388 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 408807738 FBRRJKOLANMWAY-BIFPGVLTSA-N 434.948 6.547 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)C1=O 409070588 CKULWJUNCWDMIU-YBFXNURJSA-N 440.908 5.022 30 40 IKEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 409090994 OIRXQFVJKDMRPE-ODLFYWEKSA-N 437.854 5.411 30 40 IKEB F/C(=C/CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 575330289 FFOVLEHRJLYJMU-HNQUOIGGSA-N 446.100 6.531 30 40 IKEB O=C(Oc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3)c1ccc([N+](=O)[O-])cc1 1779608 QRXQCQHIIHMQNA-JVWAILMASA-N 440.455 6.190 30 40 IKEB C=CCn1c(S[C@H](C)C(=O)c2ccc(OCC)cc2)nc2sc(C)c(C)c2c1=O 3470740 BYOODFAOHSFYCL-OAHLLOKOSA-N 428.579 5.023 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 6239709 RSPYGRYDGWNACG-HSZRJFAPSA-N 447.918 5.170 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 8921366 XDMMNKSTZOZEBT-NRFANRHFSA-N 448.544 5.448 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9357930 OFOKFWYKNUHIHD-HXUWFJFHSA-N 442.273 5.915 30 40 IKEB Cc1ccc(/N=C(NCc2ccccc2)/C(=N\c2ccc(C)cc2)NCc2ccccc2)cc1 17154953 FBNCLDSMUISCDV-UHFFFAOYSA-N 446.598 6.643 30 40 IKEB C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@@H](CN1CCOCC1)C(=O)c1ccccc1 20065608 FYGNZWIUSAWRQA-SXOMAYOGSA-N 439.555 5.041 30 40 IKEB O=C(C1=CN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1 32984244 LKXLXTDUVQPNGD-UHFFFAOYSA-N 430.312 5.643 30 40 IKEB CCCCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 97951613 SOEIEQWTTAAVFV-UHFFFAOYSA-N 443.682 7.277 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])S/C2=N/c2ccccc2)cc1 100236171 QSHQBXVYRIWIJZ-HLTANSAUSA-N 445.500 5.408 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CCC)C(=O)O)C2=O)cc1 101014803 UUJHKKOKSMAUKB-YTVAGWOFSA-N 449.638 5.880 30 40 IKEB Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650587 VMKABKOQEAYYRU-DRGFOCDESA-N 429.973 5.362 30 40 IKEB C[C@H]1CC[C@@]23CC[C@@H]4[C@](C)(CC[C@@H]5[C@@]6(C)CC/C(=N\O)[C@H](C)[C@@H]6CC[C@@]45C)[C@@H]2[C@H]1OC3 257345414 SMVBJUJFMSJJCO-NIDGLQMNSA-N 427.673 6.927 30 40 IKEB C=CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1Br 408632392 FLGYKTVRRCWVOH-BOPFTXTBSA-N 431.311 5.108 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1 408751927 DUIOPANJFFVGMD-XYGWBWBKSA-N 437.568 6.144 30 40 IKEB FC(F)(F)c1cccc(-n2cccc2/C=N\c2cccc(I)c2)c1 408938910 SPPBTHCFFWTTLZ-FMCGGJTJSA-N 440.206 5.851 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409035420 SPXCCFFWJWTXTR-NXNPIOOASA-N 429.163 5.885 30 40 IKEB CC(C)COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 409058672 SMHWMIBQIHEBHU-UHFFFAOYSA-N 434.363 5.729 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OS(=O)(=O)c1ccccc1 409120323 TWSWVEXYXRTSCS-UHFFFAOYSA-N 437.561 5.502 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1cc2ccccc2o1 409345291 LABQBDYODOFIAE-UHFFFAOYSA-N 432.549 5.479 30 40 IKEB C[C@H]1CCc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c(C#N)cc2C1 688336 XPSXZBKURPIYAJ-INIZCTEOSA-N 443.597 6.000 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 3113926 JWLIHQSSWUJKOG-YSURURNPSA-N 445.675 6.506 30 40 IKEB CCCC[C@H](CC)Cn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc21 3169273 USCHVSWARHJZMV-KRWDZBQOSA-N 443.526 6.064 30 40 IKEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 8821080 YEAHXUKRUHBOFV-DEDYPNTBSA-N 435.461 5.145 30 40 IKEB Cc1c(OCc2c(F)cccc2Cl)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9422345 SKHUFRCZPOGCOW-WYMPLXKRSA-N 447.893 6.474 30 40 IKEB CN(C)/C=N/C(=O)[C@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 100256129 HYVHLYUDGMAOET-TVYAFPLLSA-N 439.342 5.473 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cc2cccc(OC)c2o1 101192042 GTFBPAZBFVBVRP-UHFFFAOYSA-N 448.548 5.234 30 40 IKEB CCCCCCCCCCCCC/C=C\[C@@H]1[C@H](C(=O)OC)N1[S@@](=O)c1ccc(C)cc1 104316199 AZKUUQNZEQUQCQ-HKQJALDSSA-N 447.685 6.501 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408860829 FZGPTTSAIVYLLA-BKUYFWCQSA-N 449.463 5.205 30 40 IKEB Cc1cccc(Cn2cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c3ccccc32)c1 408989968 JPGQHOPKVQRHKY-MYYYXRDXSA-N 437.568 6.198 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C#N)C1 409083628 LEVJJMIOALJVEZ-HEOQCTJZSA-N 433.533 6.690 30 40 IKEB COc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1Cl 409385933 MNIHPLHBJVVIEG-BRJLIKDPSA-N 442.968 6.145 30 40 IKEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409386584 VEXVQNTTZMWSCU-ROTLSHHCSA-N 436.533 5.490 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(O[C@@H](C)CC)c1 1531236109 PMZHAQVQVANPGS-BGHCKBSUSA-N 442.357 5.171 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](CC)O[C@@H]1c1cc(Cl)cc(OC)c1OCC(=O)O 2037875158 KQQPLWIZGYZTOS-OBFMXLEASA-N 444.955 6.028 30 40 IKEB C=C(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)O[C@H]1c1cccc(C(=O)O)c1 2037879854 UIXCJASJKRQTGB-SSUZURRFSA-N 432.947 7.217 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1 726636 PHDZSSBNSAVARJ-XMMPIXPASA-N 437.580 5.564 30 40 IKEB C=CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2066643 WGVBVZVEBONNDD-UHFFFAOYSA-N 428.601 5.995 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-] 6906991 KJBPOBZAAJYKJJ-YDZHTSKRSA-N 434.477 5.238 30 40 IKEB COc1ccc2c(c1)-c1c(ss/c1=[S+]\Cc1ccc([N+](=O)[O-])cc1)C(C)(C)N2 8763948 SQTQSGPIJQGUJQ-UHFFFAOYSA-N 431.584 5.869 30 40 IKEB COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 8888217 NSHLIMBWNHJGRP-MELLPFMNSA-N 441.861 5.992 30 40 IKEB COc1ccc(Nc2ccc(/N=C3/C=C(c4ccccc4)[C@](O)(c4ccccc4)C3)cc2)cc1 12524410 XNTQEFLKIURNSJ-BEDJQWRESA-N 446.550 6.886 30 40 IKEB CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 12579496 ORLCPCJHIRPNPH-KRWDZBQOSA-N 435.467 5.817 30 40 IKEB Cc1cccc(CSC2=Nc3ccccc3/C2=N/Nc2cccc(C(F)(F)F)c2)c1 12955422 OQOLHSNFTUPFJR-ANYBSYGZSA-N 425.479 6.807 30 40 IKEB Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)n1 13579591 YZGKWOJHNQQHJN-UHFFFAOYSA-N 442.540 5.050 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3C[C@H](C)C[C@@H](C)C3)C2=O)c2ccccc21 20650219 NZJVEMLDYNICJQ-SYVXVWBXSA-N 430.548 5.461 30 40 IKEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)c1 65165018 NAYHZYOTJGYWNN-JOCHJYFZSA-N 446.576 5.237 30 40 IKEB O=C(/C=C\c1cccs1)/C=C/NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1 100329184 VVLVYQFUFRTZEL-IXWMQOLASA-N 431.348 5.148 30 40 IKEB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 100331244 VPMSMQTXADUFCU-UBFHDEFQSA-N 445.327 6.096 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1 102536539 HWIHXMLIRVYVIF-ZWSUVBHBSA-N 438.612 6.248 30 40 IKEB C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccc(Sc2nnnn2-c2ccccc2)o1 103602767 KTGFLPYFSHMHSY-MFKUBSTISA-N 437.484 6.057 30 40 IKEB CC(C)N1c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2[C@H](C)CC1(C)C 260567674 MIPLGGRKFNGHID-CFWUSGDISA-N 433.621 6.421 30 40 IKEB Cc1sc(/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C#N)c1C 408810799 LFUKDZZTXZMVPR-LUOAPIJWSA-N 438.383 7.297 30 40 IKEB Cc1cccc(COc2ccc(/C=C3\SC(=Nc4cc(Cl)ccc4C)NC3=O)cc2)c1 408856094 HHOTVVHQRLLEAA-QRVIBDJDSA-N 448.975 6.427 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(Br)cc1O[C@@H](C)CC 408914244 XMOKSIADRXLTAG-KUARTLJMSA-N 436.306 5.379 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 408962111 PZFDRUBEVYWVQP-HZHRSRAPSA-N 446.576 5.060 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(C)c1 409217195 NYVNQGGERVCQRM-DHRITJCHSA-N 428.757 7.049 30 40 IKEB C=CCOc1ccccc1C=Nn1c([C@@H](C)CC)nc2ccc(Br)cc2c1=O 409326637 MSKHLJGRMJOOKH-HNNXBMFYSA-N 440.341 5.120 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1F 409382959 POJJICYLMXMVLA-MSXFZWOLSA-N 427.819 5.155 30 40 IKEB N#C[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 1389525 FGFBGJULTWVNAN-LBPRGKRZSA-N 426.276 5.231 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc([N+](=O)[O-])cc1 1877151 WPSMDUNFYWSLRB-JAIQZWGSSA-N 439.782 5.223 30 40 IKEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2308801 ZSGYYZIKUZWTES-UHFFFAOYSA-N 445.482 5.262 30 40 IKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 3025726 RXXGJMFDHNIQSF-HGAXPLMXSA-N 438.270 7.126 30 40 IKEB Cc1cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c(O)c(Br)c1C 3087343 SSUVVFZDIWKZGY-WYMPLXKRSA-N 437.362 6.799 30 40 IKEB Cc1sc(N/N=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)nc1-c1ccccc1 8384700 ZZGTUTLCECXOMB-CVKSISIWSA-N 431.492 5.923 30 40 IKEB C=CCn1c(C)c(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc21 9310812 DDVJBTBRYMYXOR-OBUXZSPNSA-N 431.561 5.386 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c2cc(OC)ccc21 28182556 QHKGVINCSYUHQP-ZMFRSBBQSA-N 425.484 5.865 30 40 IKEB O=[N+]([O-])c1ccc(-c2csc(N/N=C/c3cccc(OCc4ccccc4)c3)n2)cc1 33377267 LAJCVTZFNQXPLE-ZVHZXABRSA-N 430.489 5.743 30 40 IKEB CC(C)(C)Oc1ccc(C[C@@H](C=O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 96179335 QCTFVRXYCSNFDR-FQEVSTJZSA-N 443.543 5.513 30 40 IKEB Clc1ccccc1/C=N\c1ccc(Oc2ccc(/N=C\c3ccccc3Cl)cc2)cc1 103284894 ALDSXUXLVATGJO-LZUTUTKMSA-N 445.349 8.287 30 40 IKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)o1 107856110 SZACZMSNEOLUAV-ZVHZXABRSA-N 428.404 5.522 30 40 IKEB C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224944312 VUKGDEDZLZAFTC-UHFFFAOYSA-N 448.755 5.205 30 40 IKEB CCOc1cc(/C=N/O)cc(I)c1OCc1cccc2ccccc12 253566052 IMKCZLOPBWOPQQ-WSDLNYQXSA-N 447.272 5.230 30 40 IKEB CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 253617996 JKWKMORAXJQQSR-LQLGGTQGSA-N 428.657 7.181 30 40 IKEB CCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Br 408529548 HSJFAXWOJHEHML-PDGQHHTCSA-N 431.355 5.438 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408668292 DLKZUBPHBDKNIR-XRODADMRSA-N 438.612 6.248 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1Cl 409015649 SUZGSTXBBDYAFK-ZSTURZEQSA-N 428.985 6.368 30 40 IKEB Cc1cc(C)nc(Sc2ccc(/C=N\c3cccc(Br)c3)cc2[N+](=O)[O-])n1 409111365 ACZXQIUGBGAMFC-NHDPSOOVSA-N 443.326 5.666 30 40 IKEB CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S/C1=N/c1ccc(OC)cc1 409251062 ZUCLPSTZKQZSFN-AOUVVKEYSA-N 430.529 6.111 30 40 IKEB Cc1cc(C)c(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c(C)c1 1531209836 HNBBCASLSHASFJ-MSXFZWOLSA-N 426.358 5.264 30 40 IKEB CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 1213582 INMBJBTYRUWKEK-PFBJBMPXSA-N 445.522 5.370 30 40 IKEB CC[C@H]1CCc2c(sc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)c2C#N)C1 2742229 KMVQYZAWHWLFOY-GAJHUEQPSA-N 432.614 6.607 30 40 IKEB CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12 3368331 UAWSSBZOZQJNLA-UHFFFAOYSA-N 429.538 5.669 30 40 IKEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2cccs2)n(Cc2ccc(F)cc2)c1C 8936461 ACGLIPLICULNBP-NRFANRHFSA-N 436.556 5.001 30 40 IKEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccccc1F)n1c(nc3ccccc31)N2 9546527 ASXJGZULURUIJB-IVCQMTBJSA-N 443.909 6.245 30 40 IKEB N#Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCN(Cc1ccccc1)C2 12364100 HOPHACXAULVFIX-KBKYJPHKSA-N 442.371 5.941 30 40 IKEB COc1ccc(-c2sc(/N=C/c3ccc(-c4ccccc4)cc3)c(C#N)c2C)cc1OC 17025275 DPVYRXNZNFJFRP-STBIYBPSSA-N 438.552 7.030 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 18196237 JIBVDMOFOBRWAP-LFVRLGFBSA-N 435.932 6.088 30 40 IKEB C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 20266201 AYXYVTITYKOAGS-UHFFFAOYSA-N 435.564 5.233 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 35362150 YHGDNXGCBQMBPJ-JOCHJYFZSA-N 434.609 5.500 30 40 IKEB COc1ccc(-c2nc(SCc3ccc(-c4ccccc4)cc3)[nH]c(=O)c2C#N)cc1 40034374 YZYBIGKCZDKHLK-UHFFFAOYSA-N 425.513 5.276 30 40 IKEB N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97949890 QXLCIRIVPLDAGS-UHFFFAOYSA-N 445.072 5.519 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4cccc(C)c4)NC3=O)cc21 223484039 ZMODHEVPSOEBHE-UCQKPKSFSA-N 431.605 6.297 30 40 IKEB C=CCOc1cccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)c1 408634851 XGBNAWAFJQXHLT-WQRHYEAKSA-N 444.896 5.181 30 40 IKEB CCOc1c(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cccc1OC 408802729 GQQXBENDBNGUNP-QQXSKIMKSA-N 440.609 5.847 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1 408818889 YROAUAZUEZKONB-UHFFFAOYSA-N 430.484 5.039 30 40 IKEB Brc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408976996 HMLAAYMTEBFUIU-ZVHZXABRSA-N 425.395 7.371 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409202672 SSGWYXCMAXVZES-KKMKTNMSSA-N 448.777 7.602 30 40 IKEB CC[C@@H](C)n1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc21 409281930 NMDNZHUXYBZOLK-CQSZACIVSA-N 437.341 5.275 30 40 IKEB CCOc1ccccc1C=Nn1c(-c2cc3c(OC)cccc3o2)nc2ccccc2c1=O 409292021 ZFNHUKSHXLJYSZ-UHFFFAOYSA-N 439.471 5.099 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC1=S 409343643 FLLJGDPZTQTZPY-PDGQHHTCSA-N 446.391 5.415 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409407638 VBDSSPMWSDMFSI-UHFFFAOYSA-N 436.427 5.114 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCCCC 2069363 UFXODLYHZPYKRY-XMMPIXPASA-N 425.569 5.567 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C)c1C 2209800 GGRCONCWGJSPSP-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)OC(=O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 4293393 GYFDUNYHWOMITG-HTMKDARESA-N 444.700 7.315 30 40 IKEB COc1cc(/N=N/c2cccc(Cl)c2)cc(/C=N/c2cc(C(C)(C)C)ccc2O)c1O 6075313 XAFRXOBCIAAZJP-CULPDNDYSA-N 437.927 7.223 30 40 IKEB COc1cc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc(OC)c1OC 8917877 KSASGEDCUMBJKG-KSEXSDGBSA-N 446.499 5.524 30 40 IKEB biogenic CCCCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2)c2nc3ccccc3o2)cc1 9030800 KWKADBTYZZWNIH-NKFKGCMQSA-N 427.500 6.439 30 40 IKEB COc1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1 9031755 UZBRLCPPFMLRKH-WPWMEQJKSA-N 440.503 5.282 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\Nc2ccc(I)cc2)o1 12363680 KSEISMKTKWDQQQ-JAIQZWGSSA-N 447.232 5.214 30 40 IKEB Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3cc(C)ccc3C)S2(=O)=O)c1 20132782 XJYWMGUXSGHDBJ-BUVRLJJBSA-N 432.545 5.098 30 40 IKEB COc1cc([C@H]2Nc3cc(Cl)ccc3-c3ccnn32)ccc1OCc1ccccc1C#N 30952916 DPTQZUSDFNKGFM-VWLOTQADSA-N 442.906 5.635 30 40 IKEB C=CCn1c(SCc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 33400940 IHSFMIOECVPKDY-AWEZNQCLSA-N 430.936 5.040 30 40 IKEB CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)N1CC 35041791 QUYPXQOCEYCYMA-ATAQLJSPSA-N 430.957 5.240 30 40 IKEB COc1ccc(-c2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c2C#N)cc1 39629878 WDSMAEUTSUZYPD-UHFFFAOYSA-N 439.540 5.131 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1OC 100290566 AZMIHVADQVAYIW-IZHYLOQSSA-N 431.517 5.489 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)c2ccc(Cl)cc2)S/C1=N/c1cccc2ccccc12 100971598 ZVEUVVZSFYYAMR-PEGRNHCYSA-N 434.948 5.884 30 40 IKEB N=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)[C@H]1c1nccs1 136407938 HDAMQXPQWBSUKO-CRDFWNHQSA-N 433.533 5.703 30 40 IKEB CCN1c2ccc(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)cc2[C@@H](C)CC1(C)C 223534036 PMNNCSBZIXSJMW-PGECNJAHSA-N 433.621 6.307 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OC 408531746 QJROWHGOSAEGSQ-BOPFTXTBSA-N 435.332 5.458 30 40 IKEB CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c2ccccc21 408811237 AFQQXLIQVSZQEQ-XKZIYDEJSA-N 447.560 5.021 30 40 IKEB COc1cccc2c(/C=C3/SC(=Nc4ccccc4C)NC3=O)c(-c3ccccc3)[nH]c12 408831580 OGXPYTNVXPCKAP-PXLXIMEGSA-N 439.540 6.044 30 40 IKEB O=C1/C(=C/c2ccc(Br)o2)S/C(=N\c2ccccc2)N1Cc1ccco1 408917654 ZHWNFHWUOLQUHE-LCUCDLPVSA-N 429.295 5.439 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 8740995 KVZNFTVLSSYOJF-FQEVSTJZSA-N 448.475 5.374 30 40 IKEB Cc1ccc([S@](=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C#N)cc1 8781511 FPUBFIBFUHAENF-MUUNZHRXSA-N 429.328 5.593 30 40 IKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8820940 YSKMGFFFMQKAPI-HYARGMPZSA-N 430.916 6.645 30 40 IKEB Cc1cc(Cl)cc2c1C(=O)/C(=C1\C(=O)c3ccc(Cl)c4c(Cl)ccc1c34)S2 8870396 PFLRZHFQASKZHJ-HEHNFIMWSA-N 431.727 7.004 30 40 IKEB N#CC1(C#N)[C@@H](C(=O)Nc2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl 8873566 YLXSTDGPKWLPCS-JKSUJKDBSA-N 435.108 5.142 30 40 IKEB C=CCN/C(S)=N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 8921309 OIKXVEVBHLOFPW-MSXFZWOLSA-N 438.380 5.366 30 40 IKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1cccc(C)c1 9232233 OQMZMTZIPJPLIX-UHFFFAOYSA-N 427.456 5.467 30 40 IKEB O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccccc1F)n1c(nc3ccccc31)N2 9546529 ASXJGZULURUIJB-PUAOIOHZSA-N 443.909 6.245 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cc2ccccc2o1 10229262 NVGZZYXDNPWVBP-UHFFFAOYSA-N 444.438 5.025 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc(Cl)cc1 12788176 KQWLXFUCIGLKKH-AWEZNQCLSA-N 431.920 5.199 30 40 IKEB COc1c2c(cc3c1[C@H](C/C(=N\O)C1=CC[C@@H](CCC=C(C)C)CC1)N(C)CC3)OCO2 12858318 PBRQQVMWXPODJH-FNAPCJTRSA-N 440.584 5.646 30 40 IKEB biogenic O=C(/C=C/c1ccccc1OC(=O)c1cccnc1N1CCCC1)c1cc2ccccc2o1 13097821 IMJOPYVSPNSOKG-BUHFOSPRSA-N 438.483 5.543 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 13941937 JNHVMCJKEAPXRS-RGEXLXHISA-N 441.980 6.181 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 14273295 GBLCUTYJTVSVMN-KVEVGEHQSA-N 443.956 5.984 30 40 IKEB COc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br 16194446 RVNBOSOVKSPVIU-ZSOIEALJSA-N 441.709 5.142 30 40 IKEB Cc1nc(SCc2nc(-c3ccccc3)oc2C)c(C#N)cc1C(=O)Nc1ccccc1 24928549 QTFRORHGXYNVHK-UHFFFAOYSA-N 440.528 5.770 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)o1 27519520 UUPXXSGBQLLEAH-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB O=C1/C(=C/c2cccn2-c2ccc(O)cc2)S/C(=N\C2CCCCC2)N1C1CCCCC1 34856197 ZMJGNNHZLJYDAV-DZNDYGJHSA-N 449.620 6.121 30 40 IKEB O=C(NCc1ccccc1)c1c(/N=C\c2ccc(Br)o2)sc2c1CCCC2 58826784 MZNKDSQBDXWOFM-CFRMEGHHSA-N 443.366 5.663 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(C)c2s1 72228888 GFYVMPGJXPEGQI-UHFFFAOYSA-N 444.988 6.170 30 40 IKEB CCCCCCCCCC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(C)cc1 102078990 AYVPSHFJZDNOFB-XMMPIXPASA-N 449.595 5.818 30 40 IKEB Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1C 225246615 TZFDXSPIDPOGLS-MHZLTWQESA-N 441.531 5.515 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCC#N)c(Cl)c3)S2)cc1 408753606 GUERVOQCJPXSHX-BOPFTXTBSA-N 432.332 5.350 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OC)c(Cl)c1 408846026 XFIHSLZQUFLPLZ-SFHVURJKSA-N 444.314 5.134 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC 408902237 MJMXSEBFYNXLBP-QGOAFFKASA-N 431.966 5.709 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1OCC 408909533 DLDJPISHDYPRIO-GLFPGZLVSA-N 438.593 6.195 30 40 IKEB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1ccccc1C#N 409020052 LQSWOJJOBGNCKL-QLPFJNHISA-N 436.533 5.371 30 40 IKEB O=C(/C=C/Nc1ccc(Br)cc1Br)c1cccc2ccccc12 409180494 YNNKKQBBEPJNGD-ZHACJKMWSA-N 431.127 6.173 30 40 IKEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1 409211556 NYOLWBDKFFZKKF-HZHRSRAPSA-N 444.350 5.530 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(F)cc1 409377561 IXGCRTGAGHJSNP-DICXZTSXSA-N 436.483 5.101 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1O 851456 WXWJUPFMZBMIRT-VWLOTQADSA-N 444.487 5.772 30 40 IKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3Br)nc2c1 1354423 HLTZVSMFYDJZRP-UHFFFAOYSA-N 426.339 5.217 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1 2453831 CDNWFZAGURHVRB-UHFFFAOYSA-N 426.973 5.639 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc3ccccc23)C2=C(CC(C)(C)CC2=O)N1 2801352 KZZYBQRJDRGBDO-SANMLTNESA-N 443.587 6.320 30 40 IKEB CC(C)CC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 3064271 FOLCWDRFXVWUFU-CLCOLTQESA-N 439.726 5.487 30 40 IKEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)o1 3144713 ZTWDQNAHYITOAE-VULFUBBASA-N 443.846 7.067 30 40 IKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1 3627459 KXNMAIAKSBGCKU-LHSJRXKWSA-N 435.014 5.765 30 40 IKEB COc1cccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)c1 12888916 KKBDZNJFNMHIIW-FQEVSTJZSA-N 429.516 5.064 30 40 IKEB biogenic C=C1[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 13304911 RVFAOPJSTKZSIX-IYBDPMFKSA-N 430.118 5.680 30 40 IKEB C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@H](CN1CCOCC1)C(=O)c1ccccc1 13564407 FYGNZWIUSAWRQA-SVBPBHIXSA-N 439.555 5.041 30 40 IKEB CCOCCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 16687998 HIDRZYNCFXSPRH-YWQSIKCOSA-N 443.528 5.459 30 40 IKEB CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1[C@H](C)c1ccccc1 20392403 PKQMGLPIULAKDM-GFCCVEGCSA-N 432.408 5.988 30 40 IKEB CC(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635497 BPIYPYMUFAFGAI-OAQYLSRUSA-N 445.611 5.373 30 40 IKEB CCCc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3cccc4cccnc34)c2)s1 36611173 ZIOAYFAMYBHUHZ-JLHYYAGUSA-N 443.568 6.733 30 40 IKEB CC(C)c1ccc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1 57270723 HNBJZBPADCUIAX-HSZRJFAPSA-N 435.618 5.611 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc(C)cc1 59105885 OECUDKIGOMEQQM-OEAKJJBVSA-N 448.519 5.613 30 40 IKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1 59463719 LTFWFGCOYNIEQY-DHRITJCHSA-N 437.883 6.928 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(Cl)c(C)c3)c(C)c2s1 72228838 ZNIKJLUOKUEGQO-UHFFFAOYSA-N 430.961 5.700 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 83293068 VHFIVGNPZFQZQO-OYKKKHCWSA-N 425.872 5.672 30 40 IKEB CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O 102241484 JAUUDYFIDJVFDG-UHFFFAOYSA-N 435.616 6.374 30 40 IKEB CCN(CC)c1ccc(/N=C2\C(=O)c3ccccc3C(O)=C2n2nnc3ccccc32)cc1 103449383 WCSJCMGVQHMFOF-VYIQYICTSA-N 437.503 5.130 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CCCC[C@@H]1C1CCCCC1 104254085 JIKPIFVOTIEWIG-WDYNHAJCSA-N 448.776 9.930 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c(OC)c1 408906138 HOOXXWLAVYPLOR-WDVBHDOFSA-N 444.556 6.069 30 40 IKEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1C 408929896 PKHZPFIXTCIMFQ-BLYKWHDGSA-N 425.312 5.243 30 40 IKEB CN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccc(Cl)cc1 408961313 RJMZKLLSEDASHN-XOLKAKTPSA-N 436.968 5.431 30 40 IKEB COc1ccc(COc2ccc(-c3c(-c4ccccc4)cnc(N)c3C#N)cc2OC)cc1 408979625 NKFSZEONFSOZBZ-UHFFFAOYSA-N 437.499 5.466 30 40 IKEB COc1cccc(/C=N\Nc2nc3ccccc3s2)c1OCc1ccc([N+](=O)[O-])cc1 409081412 OBVXUIWCVWOSJN-QRVIBDJDSA-N 434.477 5.238 30 40 IKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br 409087422 UCMIAFJMKHEGHO-SQAVSUBZSA-N 445.426 6.683 30 40 IKEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1ccccc1 409131345 IRPUGQBDKKNUBK-STZFKDTASA-N 448.931 5.319 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409199522 DIVJSNRCEALDMK-MFKUBSTISA-N 443.952 5.874 30 40 IKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409385500 KXWLBRDIRZAGSX-JVWAILMASA-N 434.605 6.826 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCC 2059347 MRUDZENISIYLSZ-PDGQHHTCSA-N 442.309 5.066 30 40 IKEB CCOc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3OCC)cc2)cc1 2842605 CSDMZJYOJGBKIW-RWRHWQIFSA-N 448.566 7.652 30 40 IKEB COc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccccc2)n1-c1ccc(Cl)cc1 9127077 PBRUGJDPXMVVSU-FQEVSTJZSA-N 446.963 5.823 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1 14134205 FKUCCPQPANIELI-UHFFFAOYSA-N 436.581 5.206 30 40 IKEB CCCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 17095589 OIMGNMCWAPIQJI-AWEZNQCLSA-N 427.595 5.050 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)c2C#N)C1 17097409 UUKARDXUFASYQB-NSHDSACASA-N 431.344 6.564 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(Oc3ccccc3)c1)n1ncnc1N2 18197986 URQJYBWTKMYXPV-XDHUDOTRSA-N 440.528 5.548 30 40 IKEB CCOc1cccc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O 32114725 CMTDHFZHMAFGEH-RWPZCVJISA-N 442.902 7.156 30 40 IKEB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 225801971 SPZBFURCYXJWAM-UHFFFAOYSA-N 447.310 5.485 30 40 IKEB COCCCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccccc1 408955322 WWQMEJFGLOMXTL-YJMOJNCUSA-N 447.560 5.126 30 40 IKEB C=CCN1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)C1=O 409068566 UHUPPPCJQFBNFZ-OEAKJJBVSA-N 426.497 5.513 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O 409142413 KHOBXKYIMCYKRQ-STZFKDTASA-N 436.920 5.043 30 40 IKEB Cc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)cc1 409201828 OCXIPIFIKRLBMR-MFKUBSTISA-N 427.416 6.508 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 409211257 MUUZGVRMDSQCEP-UVHMKAGCSA-N 432.322 7.169 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1c(O)ccc2ccccc12 409304358 LAGVJXRIZUANMZ-UHFFFAOYSA-N 431.451 5.551 30 40 IKEB Cc1c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)sc2ccc(Cl)cc12 575243184 SATLUAIMPRIABI-UHFFFAOYSA-N 428.703 6.514 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC(C)C)cc1 1531285481 ZAFFTWDSHCJLPL-ZVHZXABRSA-N 442.357 5.171 30 40 IKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1O 1878396 MFTDMZDCEMLLFQ-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB CCCCCCCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 2233764 ATCSUMHYLAIMFH-UHFFFAOYSA-N 436.581 5.360 30 40 IKEB CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 8415095 ASMXLAJFKACSDY-OAQYLSRUSA-N 428.866 5.225 30 40 IKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8821127 ZTKRVICWMKDTNX-HYARGMPZSA-N 441.468 5.900 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccc(Br)cc1 8821176 JQURBZVCUWDVTH-AUWJEWJLSA-N 428.138 5.648 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1cc2ccccc2o1 9261453 KULIIZBBAWGJGY-UHFFFAOYSA-N 436.562 5.330 30 40 IKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O 9457633 ZPBMBACIKDGMLR-AXMNZLFYSA-N 429.973 5.373 30 40 IKEB CCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 9465474 ZKHOKWUADQIYFE-HHHXNRCGSA-N 448.607 6.713 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)n2)cc1 9925852 CZPMPYCAHRLXGE-VULFUBBASA-N 447.947 6.437 30 40 IKEB O=C1/C(=C\c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 12376486 NFCGDKANQDHJRW-DBSKITMISA-N 449.373 6.253 30 40 IKEB Cc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2/N=C/c2ccccc2C)cc1C 13014904 VPJGHFKGUAAJEV-NVZBVZIISA-N 431.992 6.910 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1cc(Cl)ccc1C 17084970 UELOCFQDPDIFTQ-IPQBESIJSA-N 427.957 5.103 30 40 IKEB N#CC[C@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)Nc1ccc(Cl)cc1 18128227 NLMYZJUNNPNMCN-CYBMUJFWSA-N 433.217 5.350 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccccc4C)c3C)C1=O)cn2C 28182502 WMBXXIHDPVZAQM-ZMFRSBBQSA-N 439.511 5.999 30 40 IKEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1 35655378 XMCULJXLVGTRNC-UHFFFAOYSA-N 435.936 5.185 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccccc1 83309933 MHYOXDCQJXIYEA-JAIQZWGSSA-N 442.371 6.293 30 40 IKEB CCCCCCCCCCCCCCCCCCN(CCOCCO)CCOCCO 95680713 IEXQFYPEUSYMHN-UHFFFAOYSA-N 445.729 5.568 30 40 IKEB CCCCCCCCS(=O)(=O)CCSCCS(=O)(=O)CCCCCCCC 98008416 FKNXODVBDZUPGC-UHFFFAOYSA-N 442.753 5.270 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(Cl)c(Cl)c1 100499508 RCXMEQWTKYVIIY-AONURPCGSA-N 448.400 6.154 30 40 IKEB FC(F)(F)C(F)(F)CCCCCCCCCCCCCCCC(F)(F)C(F)(F)F 169795193 DBMHXNMLKOJMSR-UHFFFAOYSA-N 448.429 9.233 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2c2ccc(C)cc2)cc1 210967896 JJFHRYQLFXFWNT-DDOPLPCHSA-N 434.948 6.471 30 40 IKEB CCOc1cc(C#N)cc(I)c1OCc1cccc2ccccc12 226324925 BAEGJEIGRYIIBP-UHFFFAOYSA-N 429.257 5.294 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1-c1ccccc1)C2=O 252496817 PSHMDRHQJHJFAC-VWIFZXISSA-N 442.603 5.758 30 40 IKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=C3/SC(=Nc4cccc(C)c4)NC3=O)c2c1 408775931 WYBNYBWZHWPFQG-HZHRSRAPSA-N 439.540 6.044 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O 409072970 FOXIKSIKSYDGBU-LFVJCYFKSA-N 444.556 5.895 30 40 IKEB COc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 409213214 TUPYMUMBGGGNCU-DHRITJCHSA-N 444.300 5.935 30 40 IKEB CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 409217369 PNPXPILUUVQUGT-BUVRLJJBSA-N 426.310 6.399 30 40 IKEB Cc1nn(-c2ccccc2)c2nc(OCC(=O)c3ccccc3)c(C#N)c(-c3ccccc3)c12 642409 GWVWZXGAZNQJQP-UHFFFAOYSA-N 444.494 5.529 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2F)o1 1025368 KOILAOYHQRDEEV-UHFFFAOYSA-N 434.507 6.486 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 1816874 MAOBNJJQIYBUEH-LGJNPRDNSA-N 443.846 6.666 30 40 IKEB CCOc1ccc2oc(C(=O)N3/C(=N/[C@@H]4CCCC[C@@H]4C)SCC3(C)C)c(C)c2c1 5980517 PQJDUCOVWJQBMP-SIMJXPGOSA-N 428.598 6.042 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)c2ccccc21 8993295 GMYIKSWZXHAZKK-ZVHZXABRSA-N 445.496 5.045 30 40 IKEB CCc1nc2sc3c(c2c(=O)n1/N=C/c1c2ccccc2cc2ccccc12)CCCC3 9144573 VQDVPEUZVOLXPV-LQKURTRISA-N 437.568 6.088 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 9424824 FFUJAZBXOGCWLY-UIAIJNLVSA-N 431.561 5.483 30 40 IKEB Clc1ccc(/C=N\Nc2nnc(N/N=C/c3ccc(Cl)cc3)c3ccccc23)cc1 31670030 MFKLZVQXLMLDEA-KGRJIBJCSA-N 435.318 5.829 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccccc2C)cc1 44859379 FIZDVYYNKNRNCE-DEOSSOPVSA-N 440.547 5.410 30 40 IKEB CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 102643499 IVLPLGXVTUYFOW-PZGXJGMVSA-N 438.571 6.479 30 40 IKEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 102877173 DNSKRIVHMVOPGI-SELCWUDQSA-N 448.744 5.324 30 40 IKEB CCCCCCCC/C=N\Nc1nnc(N/N=C/CCCCCCCC)c2ccccc12 104079193 RNLYBJDCOBJTGK-KKTFQPMKSA-N 438.664 7.926 30 40 IKEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224620802 FIZGXXIVNNFFFQ-UHFFFAOYSA-N 441.163 5.690 30 40 IKEB COc1cc(C)c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1OC 408549712 XLNNFRUPPHCXMD-OJVQYLDISA-N 434.517 5.409 30 40 IKEB Cc1ccc(C(=O)Oc2cccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2)cc1 408885716 FIDCNPCAAUGMIN-STZFKDTASA-N 448.931 5.759 30 40 IKEB Cc1cc(C)cc(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)c1 409010676 DFGSOLMYENPACG-WPRBOHTRSA-N 442.628 7.692 30 40 IKEB CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccccc1 409033302 KVWQMKOWYZXKPR-BCHBDCPOSA-N 438.343 5.378 30 40 IKEB CC(C)(C)[C@@H]1C[C@H](C(C)(C)C)[C@]2(C(=O)OC3=C(C2=O)[C@@H](C(C)(C)C)C[C@@H]3C(C)(C)C)C1=O 409066059 VMDSRARXVSWQPD-HCAAUNMDSA-N 444.656 6.379 30 40 IKEB N#CCn1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 409079232 AHCZDSLOHLLLKT-MUXKCCDJSA-N 442.544 5.379 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 409210867 HGIGNYJWFQMDBM-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386057 NWQGMCLVEZWCOK-JFLMPSFJSA-N 428.557 6.636 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1O 880643 HUMBGNKETYXDGH-WYMPLXKRSA-N 437.839 5.911 30 40 IKEB CCOc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3o2)cc1 1885034 QHMYRXWTUPGOHW-WYMPLXKRSA-N 437.839 5.911 30 40 IKEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O 2424312 UUHIEPDWWKMOLD-MYKKPKGFSA-N 436.435 5.047 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Br)cc3)c2C#N)C1 2753091 IWAOPYIYVVRETN-KDHUCADRSA-N 443.410 6.185 30 40 IKEB COc1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)c(OC)c1 2843290 ZYQTWHMXXRYSCY-YSURURNPSA-N 426.847 6.250 30 40 IKEB Brc1cccc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 3140611 WFTJTARUBCMTAN-CVKSISIWSA-N 427.301 7.161 30 40 IKEB CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 4048129 AHURIOZKCVUFMA-MYUZEXMDSA-N 444.962 6.718 30 40 IKEB N#Cc1c(N2CCCCC2)nc(NCc2ccccc2)c2c1CCN(C1CCCCC1)C2 6193078 FHJSQZBZVKLMNE-UHFFFAOYSA-N 429.612 5.246 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1c(O)ccc2ccccc12 8402140 OGXFNOMCIFLQRW-CIOBDNPFSA-N 445.316 6.515 30 40 IKEB Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9420958 XZAFPBFHOUMQDZ-YDZHTSKRSA-N 443.886 5.976 30 40 IKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 10119157 AYECPBJGRXTEDF-JFLMPSFJSA-N 432.911 5.683 30 40 IKEB Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2C)cc1 13285663 SPBFAUGXCXAEJD-SLJQUXCSSA-N 443.597 6.482 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 13563183 AKIZFOBIXPHFNG-ISJGIBHGSA-N 435.914 5.624 30 40 IKEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1c(C)cccc1C 13879695 WCIZYODTGFJDMC-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O 13939700 NFVZSOFQOSJYBQ-UNOMPAQXSA-N 445.899 5.126 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCC(C)C)cc1 14605462 HUKLXRAWXDWYDK-MHZLTWQESA-N 445.607 5.384 30 40 IKEB C#CCN1c2ccccc2C(=O)N(/N=C/c2ccccc2Cl)[C@@H]1c1ccccc1Cl 15022396 RYQLOXXXEGROOQ-PVPASAESSA-N 434.326 5.622 30 40 IKEB COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc(Cl)c1O 15931923 QTTXEKJTTJHPLC-NSIKDUERSA-N 429.712 5.253 30 40 IKEB Fc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(Br)cc2)cc1 16525805 PHUPUVJKHSSNDI-JFLMPSFJSA-N 434.308 7.071 30 40 IKEB C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@@H]2[C@H]1c1ccc(OC)cc1 33453838 KUDIFHJEAAEZSH-SYGJWTDRSA-N 447.604 5.361 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N/c4ccc(OC)cc4)NC3=O)o2)cc1 83262577 SGPBFXCJUNWHNM-STZFKDTASA-N 448.500 5.024 30 40 IKEB CCOc1ccc(Br)c(/C=N\c2ccc3oc(-c4ccccc4)nc3c2)c1O 100933764 SRBMJRDAERVICJ-CFRMEGHHSA-N 437.293 6.112 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408545322 XUQPDETXDOVSGX-VUTHCHCSSA-N 442.559 5.959 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)c2ccccc12 408788856 GASIARVDQJWVRD-YCBMQGOFSA-N 432.501 5.171 30 40 IKEB CCOC(=O)COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408980104 UWKYHXORUZVQCA-JVWAILMASA-N 448.588 6.550 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C#N)C1 409078705 HXPSVQBNYXJUMF-QVMKDISWSA-N 436.581 6.030 30 40 IKEB CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)c1OCC 409401075 BZSLTERIPOOXOE-UHFFFAOYSA-N 447.922 5.397 30 40 IKEB CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 2130514 LISUREDJGUCUNG-HRRJZBPGSA-N 439.640 5.677 30 40 IKEB biogenic O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1[C@H]1CCCc2ccccc21 3342889 TWKSTXVZGLYRBY-RYVZHZQHSA-N 444.987 7.022 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)Sc2ccccc21 4089324 PTORMSCEGKEQOG-SLJQUXCSSA-N 443.597 5.903 30 40 IKEB Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 6442687 UMEWCIAJSNIUJY-POGFHVCPSA-N 449.615 5.357 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3C#N)c2C#N)cc1 8425533 NBVJBJGRBZSWQY-UHFFFAOYSA-N 433.536 6.460 30 40 IKEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)cc1 8844527 VHKIOYDTNRZTMB-UHFFFAOYSA-N 435.867 5.659 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)cc3)S2)c1 8853472 SFLZQGIPXVZJBF-OEAKJJBVSA-N 425.513 5.337 30 40 IKEB Cc1ccc(/C=N/Nc2nc(-c3ccccc3)c(NC(=O)c3ccc(F)cc3)s2)cc1 8867497 FLBQMXJNQVLAEA-CVKSISIWSA-N 430.508 5.956 30 40 IKEB CCc1ccc(-c2nc(NC(=O)/C=C/c3ccc(OCC#N)c(OC)c3)sc2C)cc1 8877485 DXKGQAOTDZBMAU-XYOKQWHBSA-N 433.533 5.244 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc3ccccc23)cc1 9339454 ZTEXITHKHWRTMF-NRFANRHFSA-N 441.512 5.091 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9380607 QRNLQRUOYZBTQK-OAQYLSRUSA-N 448.862 5.340 30 40 IKEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 9875622 DYZUMHIMYGFUHC-UHFFFAOYSA-N 444.915 5.113 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 13040896 JMVFJFGVQYJCMU-FQEVSTJZSA-N 433.602 5.338 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 33630493 GLWAHTZESGBQDO-HMAPJEAMSA-N 434.492 5.305 30 40 IKEB CCCCCCCCCCCCCCC[C@H](O)[C@@H](CO)NC(=O)CCCCCCC 43066576 LGOFBZUQIUVJFS-RPBOFIJWSA-N 427.714 6.666 30 40 IKEB biogenic N#Cc1ccc(N2CCC(C(=O)Nc3cccc(-c4ccc5ccccc5c4)n3)CC2)nc1 58244511 VTDQNUVGJIZZCC-UHFFFAOYSA-N 433.515 5.024 30 40 IKEB CCN(CC)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 59104338 HPTHZSATPICSKW-VCHYOVAHSA-N 447.114 5.244 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102506620 ZAYNSVPITQDRCW-NHFXJNLRSA-N 448.450 5.201 30 40 IKEB CCCCCCCCCCCC[C@H](Oc1ccc(OC(C)=O)c(CC(C)C)c1)C(=O)O 111882105 LMGNFMQANDKMEB-VWLOTQADSA-N 434.617 6.953 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 408593785 RGQZUNGODZHJGL-KKMKTNMSSA-N 429.278 6.134 30 40 IKEB CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(CC)cc2)NC1=O 408760477 ZEVPXDCJQIQMCX-PDGQHHTCSA-N 431.355 5.302 30 40 IKEB COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 408934445 ATOABYCADJWBHR-GGJJYIGYSA-N 428.963 7.234 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 408946049 XZFFVZAVOACMJF-QXZZGPAYSA-N 442.990 7.624 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 409022159 GYYNXXUGRQBAIP-VXLYETTFSA-N 425.579 5.351 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br 409081634 HHGZFWRGSAMODD-REMUQMNCSA-N 431.399 6.292 30 40 IKEB CCn1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 409089128 HIMOVBPUWMWHPQ-VYYCAZPPSA-N 431.561 5.875 30 40 IKEB C#CCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OC 409209782 IATLLDXIYWUKNZ-SRZZPIQSSA-N 439.680 5.024 30 40 IKEB CC(C)(C)N=C(CC(=Nc1ccccc1Cl)NC(C)(C)C)Nc1ccccc1Cl 1572375 NPMDAAOSLJNVCN-UHFFFAOYSA-N 433.427 7.111 30 40 IKEB N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCN(c2ccccc2)CC1 2417181 RSKNVQILRUYKAX-UHFFFAOYSA-N 436.515 5.119 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 3114332 SEXGOCANYDLYSS-FOKLQQMPSA-N 438.749 6.132 30 40 IKEB CCCOc1ccc(C(=O)/C(=C/c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 8779096 JHLIWRAMKDOLTA-NKFKGCMQSA-N 427.500 6.439 30 40 IKEB Brc1ccc2nc(N/N=C/c3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1 9041630 REQADNDMPFXOST-VULFUBBASA-N 442.320 5.987 30 40 IKEB C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 10025375 YYRXGPKQVQOKCL-UHFFFAOYSA-N 431.586 5.665 30 40 IKEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(-n2c(C)ccc2C)cc1 12546810 FDQXNUXWMXBEAZ-UHFFFAOYSA-N 439.309 5.346 30 40 IKEB Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2cccc(O)c2)c1 13286085 POPSVHWYECIZRI-QDJRPKQISA-N 445.569 5.879 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 13803867 RYOYFJXPNUWVMM-UHFFFAOYSA-N 434.609 5.776 30 40 IKEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1Cl 13879683 HTYLLULJEOHUOU-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)c(Cl)cc3Cl)s2)cc1 14634686 RWEFLXZZSAVNPB-UHFFFAOYSA-N 439.324 5.400 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 15973381 SVTAXIKJBLEKHE-RDPSFJRHSA-N 433.511 5.124 30 40 IKEB C=CCn1c(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)nnc1-c1ccccc1 18250943 HPFYZQPTDZCVOU-UHFFFAOYSA-N 436.540 5.791 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(OCC)c2)S/C1=N/c1ccccc1 100233630 YQYIDYWBMUZUQE-IVCURSBOSA-N 438.593 6.134 30 40 IKEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1Br 408566684 IKGIKJFEXYSEHT-KEBDBYFISA-N 445.229 5.280 30 40 IKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Br)cc1 408741158 OEZNOMPVIRZOIP-DHRITJCHSA-N 438.394 6.419 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1cccc2ccccc12 408750807 RXPFQBWVPPXFLH-DICXZTSXSA-N 442.475 5.567 30 40 IKEB O=C1/C(=C/c2cccc3ccccc23)S/C(=N\c2ccccc2F)N1C1CCCCC1 408859781 YXRKDPQBMPDHMD-NMRWETQTSA-N 430.548 6.916 30 40 IKEB CC(C)(C)[C@@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccccc1Cl 408919732 BTYPDISSVFSOGC-AWEZNQCLSA-N 448.766 5.110 30 40 IKEB Cc1cccc(C(=O)Oc2ccccc2C=Nn2c(-c3ccco3)nc3ccccc3c2=O)c1 409122979 CYCPFZFIOKVJID-UHFFFAOYSA-N 449.466 5.066 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O 409172942 GTDIUVWLQKDHLB-WSVATBPTSA-N 438.306 5.039 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409209826 HMDFXWWVOSHSJN-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](CC)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875017 IUKUMQQXYMUARP-AMEVOLBXSA-N 432.919 6.159 30 40 IKEB COc1ccc(-c2nc3cc(/N=C/c4cc(C)cc(Br)c4O)ccc3o2)cc1 711650 CHEYKAZUNKETNI-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB COc1cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c([N+](=O)[O-])cc1OC 1058402 HLFBZNAVJDCLCR-ZMOGYAJESA-N 433.489 5.948 30 40 IKEB COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)c1 1439854 WZOYIUBDCZQEMK-WXTAPIANSA-N 430.935 6.328 30 40 IKEB Cc1c(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 1480456 JFBZUEFIDNWSEY-DHRITJCHSA-N 426.303 5.802 30 40 IKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1cccc(Oc2ccccc2)c1 2280400 WDDKZGKEVYQYHL-CFRMEGHHSA-N 441.343 6.215 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F 2762220 GQGIMMCFOKBJSU-OYHNWAKOSA-N 425.525 5.202 30 40 IKEB CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O 8448955 MFWNATYOSPLEQG-UHFFFAOYSA-N 437.536 5.793 30 40 IKEB N#Cc1ccccc1/C=N/c1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 8997318 RLYDDSFDQWCGPU-BIZUNTBRSA-N 443.937 7.844 30 40 IKEB CC(C)c1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc3c2CCCC3)cc1 9805542 CDCKDRWKHGJVQE-UHFFFAOYSA-N 441.600 6.353 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C#N)C1 14273300 NQKPBUZATPMHHV-OAHLLOKOSA-N 449.532 6.191 30 40 IKEB CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 14606468 VDYGLSFXKAXVJB-DEOSSOPVSA-N 437.609 5.137 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\c2ccc(C(=O)O)cc2)C(=O)N1c1ccccc1C 15018336 RIEYRCAHBYQSFJ-GZAOZUBMSA-N 428.513 5.810 30 40 IKEB COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 17101227 VNCWHQSXJQXCKY-NSHDSACASA-N 437.392 6.338 30 40 IKEB C=CCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\N=C(\O)Nc1ccccc1 17729768 FRDLAGRDCPPIOK-FVDSYPCUSA-N 426.545 5.911 30 40 IKEB CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc32)cc1 18167786 SRKKDHXJUSSFLO-TUSDEZAESA-N 445.522 6.981 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(Cl)c1Cl)c1c(O)n[nH]c1N2 18196455 JLVGSBSCDDEIGY-VFZGTOFNSA-N 432.332 5.442 30 40 IKEB O=C1C=C2C(=N[C@@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 61880544 WCSNDIBBXOJAOR-KQECVKDNSA-N 442.562 6.597 30 40 IKEB O=C(CC/C(C/C(=N\O)c1ccc(F)cc1)=N/O)N(Cc1ccccc1)Cc1ccccc1 104283317 NWEHDIQJVKGIOJ-JEUVFDQPSA-N 447.510 5.234 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)cc1 118927603 VOPZSPZAIPUPAF-KKRLIDEPSA-N 444.637 5.681 30 40 IKEB COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 408670091 XXIYRFRYRQEYEQ-UKTHLTGXSA-N 436.338 6.901 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1C 408970609 JEMQKSOIIZOVOY-WPWMEQJKSA-N 432.589 6.727 30 40 IKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1Oc1ccc([N+](=O)[O-])cn1 409211807 NCBZZEMBYOMBAC-LGJNPRDNSA-N 448.504 5.743 30 40 IKEB Cc1cc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)c(C)n1C 409277921 BXGSORVXPMXCRD-UHFFFAOYSA-N 430.895 5.301 30 40 IKEB CC(C)(C)c1ccc([C@@H]2C3=C(Nc4ccccc4S2(=O)=O)c2ccccc2C3=O)cc1 2420664 PKOYRACQFYEDOR-RUZDIDTESA-N 429.541 5.532 30 40 IKEB C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O 2618968 CWUQHJVMHLIYPO-LBPRGKRZSA-N 434.348 5.009 30 40 IKEB Clc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccccc5Cl)o4)cc3)nc2c1 3068811 QBGPFAIRDYHIAX-MZJWZYIUSA-N 433.294 7.812 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)Nc1ccccc1 3094791 OQOUYXAYSNZCTE-ZMOGYAJESA-N 437.977 6.431 30 40 IKEB Fc1c(F)c(F)c(N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(F)c1F 4082556 VACROBMNCOYMIF-GESPGMLMSA-N 449.810 6.485 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 4082961 ODDZZRWZCIJQFO-VVFBEHOQSA-N 442.562 7.333 30 40 IKEB CCCN(CCC)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccc(OC)cc2)c2ccccc21 8430833 FEHQBUXEGJMXLC-UXZSZYKQSA-N 434.580 5.029 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 9186582 RITAFLIKEAQDTQ-XTEPFMGCSA-N 438.571 6.791 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)o1 12469248 VBNGACPOONQMPX-UCQKPKSFSA-N 438.533 6.377 30 40 IKEB N#CC1(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 13635581 GIMPXNKAJBQLLQ-BFLUCZKCSA-N 435.914 5.750 30 40 IKEB COc1ccc(/C=C/C(=O)c2ccc3c(=O)n4c5ccccc5nc4c4cccc2c34)cc1 16215865 CECPEMGYAMJPBD-LFIBNONCSA-N 430.463 5.497 30 40 IKEB Cc1ccc(/N=C(\C(=O)c2ccccc2)[C@H](Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1 18081291 MVHBIQWZFZKONM-FZSBGTLUSA-N 446.550 6.622 30 40 IKEB COc1ccc(CN/N=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1OC 20196646 RNJKYTNDSIPZBH-OCSSWDANSA-N 438.531 5.011 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccco1 21722421 YNGBYQYKMGEOMO-XMMPIXPASA-N 430.479 5.876 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 27907136 ATWWVDSXJWUADB-SMSCYPBYSA-N 446.326 5.290 30 40 IKEB Clc1ccc(-c2csc(N/N=C\c3ccccc3Br)n2)c(Cl)c1 31854533 NSZZMAWGLFMJOS-ZBKNUEDVSA-N 427.154 6.325 30 40 IKEB COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCc1cccc(C(F)(F)F)c1 35404035 FWQHOVANYAPTLV-MOSHPQCFSA-N 438.445 6.506 30 40 IKEB CCCCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2 68589238 MJSSQXNXESRVEG-UHFFFAOYSA-N 429.608 6.877 30 40 IKEB biogenic CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(O)c1 100221836 UOPLVZLFMIOCSJ-PKAZHMFMSA-N 447.604 6.182 30 40 IKEB Cc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 138020620 VEMWTKDRONDLNC-GZPWUMDQSA-N 435.618 6.266 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(Cc2ccncc2)CC1 257344903 ZZCRRUALNYLIJH-UHFFFAOYSA-N 439.603 5.184 30 40 IKEB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C 257348919 KAIVGEVOBNIWLR-SCYGMFPMSA-N 428.657 5.705 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 408595653 XOPNFGDGMNUXPV-WYMPLXKRSA-N 431.275 6.031 30 40 IKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408850488 AVIFRPZAIJRAFU-VROXFSQNSA-N 431.275 5.548 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 408859792 ZBMPVKPALAKNRM-MYHZWKHBSA-N 429.589 6.361 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OCC)c1OCC 408903574 ZWXKPVBZFKUHPG-HMMYKYKNSA-N 425.575 5.618 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1C 408983863 DPVOIQUBRBHIAH-STZFKDTASA-N 436.621 6.496 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)cc1Cl 408990168 JSDYTFGPOMAGBK-WJDWOHSUSA-N 427.938 5.679 30 40 IKEB COCc1cc(C)nc(N/N=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C#N 409001258 ORAYATYIIDOUIB-NVJOKUIPSA-N 441.457 5.280 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 409098545 QIBLGMNFRGLVNA-YSURURNPSA-N 433.342 5.326 30 40 IKEB COc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4C)NC3=O)c2C)cc1 409199807 DNDSHAZLCPOACZ-OEAKJJBVSA-N 431.561 5.611 30 40 IKEB CCOc1cc(Cl)c(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC 409237806 JQSVYZXLUSXHTC-ONNNIBOUSA-N 434.920 5.510 30 40 IKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CC3CCCCC3)C2=O)c(C)c1 1031943 DWKRQECERAXCQG-SKWYYERQSA-N 449.620 5.844 30 40 IKEB COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1434756 XEOFLJWHOWJEGJ-IDISGSTGSA-N 438.527 5.761 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 2099705 ZHMHTLPHAAKZPY-YVLHZVERSA-N 436.291 5.381 30 40 IKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc(Cl)ccc1O[C@H]2c1ccccc1 3668706 ACYKWABLGUABAR-DEOSSOPVSA-N 435.995 7.152 30 40 IKEB CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC 6921190 WVPGXJOLGGFBCR-UHFFFAOYSA-N 434.642 9.226 30 40 IKEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 8407956 FELINXJLPXJNFQ-DEOSSOPVSA-N 436.552 5.407 30 40 IKEB Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)cc2Cl)cc1 8781898 IYJUREOCRKGNQL-AUEPDCJTSA-N 436.751 6.574 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C(/C(=O)c3ccccc3)c3nc4ccccc4[nH]3)c2C)cc1 12492160 SXIQDAJJHZBHMM-BWAHOGKJSA-N 431.539 6.702 30 40 IKEB C=CCn1c(SC2CCCC2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1 12954075 GYDSZTRUTNJHHW-UHFFFAOYSA-N 440.520 5.135 30 40 IKEB Cc1ccc(S(=O)(=O)CC/C(=N\OCc2cccc(F)c2)c2ccc(Cl)cc2)cc1 12954924 UTYPQGKECHOHSU-WNAAXNPUSA-N 445.943 5.572 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(O)cc1C 13286337 KMESQZRQUHUZEG-BEIQUOEZSA-N 425.579 5.475 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 13880452 SFABHDSECDMFNS-LPYMAVHISA-N 426.270 5.382 30 40 IKEB C=CCn1c(C)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 14408527 FRYMHOROQKGCEO-UZWMFBFFSA-N 441.534 7.685 30 40 IKEB Cc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 16269551 ULYIUUFXPJWONH-BHGWPJFGSA-N 425.257 6.161 30 40 IKEB C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)Nc2c(C)cccc2C)c1=S 16769632 OTCJWQWOFCLWND-UHFFFAOYSA-N 438.622 5.456 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccc(F)c1 17124858 VQABUBVJJRBHPY-FQEVSTJZSA-N 432.417 5.531 30 40 IKEB C[C@@H]1CN(c2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)o2)C[C@@H](C)O1 17247397 WWXYEDMQPPLPMT-IWJXXNJYSA-N 433.533 5.626 30 40 IKEB CC(C)(C)c1ccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)cc1 36629267 GOXPVVIIQFTAGJ-ZHACJKMWSA-N 446.576 5.038 30 40 IKEB O=C1/C(=C\c2ccc(O)c(Cl)c2)CN(CC(F)F)C/C1=C/c1ccc(O)c(Cl)c1 78720413 MHMKQVYLBGJCLQ-IZUVBVRISA-N 440.273 5.021 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 102691996 SRBWSVMELFJEJV-SELCWUDQSA-N 447.249 5.055 30 40 IKEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 108054350 JQJMRUFRQAZPDU-VZUCSPMQSA-N 427.327 6.786 30 40 IKEB CCCOc1c(Br)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OC 408533294 XVNHKRLCTNEDCG-ATVHPVEESA-N 447.354 5.138 30 40 IKEB C#CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl 409040003 FAZWTZVDPOXSSG-UHFFFAOYSA-N 430.331 5.049 30 40 IKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl 409080628 NKZUMYCKKTWMPT-ACWMPWAISA-N 444.943 6.161 30 40 IKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1C 409082927 UEQUZGDYIAZPBK-ZVSHRJSOSA-N 443.660 7.546 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(Cl)c1 409110045 QFFHDCNJZGODOD-UHFFFAOYSA-N 445.582 6.350 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccccc1F 409174651 WMIJPQYVQKVLNW-WSDLNYQXSA-N 431.492 5.341 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409210727 GOGQREJWKJVEEV-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1 409334184 VWECUMHMPLMZOT-ODLFYWEKSA-N 433.470 5.132 30 40 IKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)o1 409386749 XGMOWZKTMJIKAF-JVWAILMASA-N 443.455 6.108 30 40 IKEB C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@@H]2[C@@H]1C(=O)C1=C[C@@](CC(C)C)(OC)NC1=O 1086455203 XLZMSDIJSDSYBH-CFDTWPKWSA-N 427.629 5.602 30 40 IKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1cccc(-c2nc3c(C)cccc3o2)c1 3083461 HAAONXSJJZKXMI-OPEKNORGSA-N 435.867 6.438 30 40 IKEB Clc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(Cl)c1 8427440 DBRLQGAIQIOXTM-ZVHZXABRSA-N 442.354 5.358 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 8817387 FJEKASOJDJPVBY-WNCULLNHSA-N 442.515 5.511 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccccc1 13475595 CMBZBZZQESHYBG-QDJRPKQISA-N 429.570 6.174 30 40 IKEB COc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)ccc1O 14945037 JKLRFBUYGVZHII-UZTOHYMASA-N 448.522 5.907 30 40 IKEB C=CCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1nc(-c2ccccc2)cs1 15608255 SCIBXCQJYQFECW-QHCPKHFHSA-N 429.545 5.293 30 40 IKEB Cc1c(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccccc1 16249808 NSZQLECCNNSTQZ-IWIPYMOSSA-N 441.531 6.029 30 40 IKEB CC1=NC2=N/C(=N/c3cccc(Cl)c3Cl)N[C@@H](c3ccc(C(C)C)cc3)N2C(O)=C1 17045489 BTPULVLKVMVCHX-HXUWFJFHSA-N 442.350 5.938 30 40 IKEB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc(C#N)cc1F 19631061 FYMZDWCLUVSXDK-UHFFFAOYSA-N 440.261 6.373 30 40 IKEB O=C1/C(=C/Nc2ccc(F)c(Cl)c2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 20575609 WCESJOOQGMNZBA-WQRHYEAKSA-N 448.928 5.027 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 59104907 FKGIMOLVNRTIOQ-ZVHZXABRSA-N 425.326 5.784 30 40 IKEB C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)Oc1ccccc1)c1ccnc2ccc(OC)cc12 95871229 QYPJZCMPIALCAQ-KBFVSZBXSA-N 444.531 5.397 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N/[C@@H](C)c1ccccc1 101379230 RAKNCXLTUBNDOR-GHXVNMLYSA-N 444.025 6.154 30 40 IKEB O=[N+]([O-])c1ccc(-c2cs/c(=N/N=C/c3ccccc3Cl)n2-c2ccccc2)cc1 101392706 JLMUVDLPQNSKCY-ZUOQFLAMSA-N 434.908 5.702 30 40 IKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)cc1Cl 101650553 LUYOLLBGIJGUBR-YPYXJLKGSA-N 429.973 5.362 30 40 IKEB CCCCCCCCCCP(=O)(CCCCCCCCCC)c1ccc(Cl)cc1 102369295 CSGLZNVQUCTEBF-UHFFFAOYSA-N 441.080 9.610 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OC 408913413 QRMDZJXPBWFLBD-OQNHBUHUSA-N 438.593 6.195 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N\c1ccc(C)cc1 408914054 SFUNLKJXQYNKOS-GCXIQGEKSA-N 436.964 6.922 30 40 IKEB C=CCc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCC 409037267 MKFPJSQBJXKZLG-GXDHUFHOSA-N 436.380 5.315 30 40 IKEB Cc1ccc(COc2ccc(Br)cc2/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409107918 YDEJWVFCUYXZJG-FSJBWODESA-N 441.285 5.086 30 40 IKEB COc1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1Cl 409188090 WXZVDPZVAIHNQU-DHRITJCHSA-N 425.868 5.385 30 40 IKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1F 409202838 TUTHAZVBXRNDCM-RDRPBHBLSA-N 427.475 6.956 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O 409214770 YRKRVFMTBJGZBA-XMHGGMMESA-N 444.350 5.293 30 40 IKEB Cc1ccccc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409216570 MHXZXHGVDBHQJV-JVWAILMASA-N 430.345 7.240 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)S1 409255025 YYXWNUOUFPTPST-XDHOZWIPSA-N 437.908 5.029 30 40 IKEB COc1ccc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc1 409294608 BKKFUHJGMUCSJK-UHFFFAOYSA-N 441.531 5.395 30 40 IKEB CCCc1ccc(O)c(/N=C/c2c(O)c(OC)cc(Br)c2Br)c1 1507192 OBEGQUWVJWSQOA-AWQFTUOYSA-N 443.135 5.335 30 40 IKEB CCN(CC)c1ccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 8844388 YIXGFPLBVOXWJR-VXLYETTFSA-N 448.588 5.538 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3ccccc3[nH]1)[C@@H]2c1ccccc1 9281385 LSFLZNUJDFQEQS-MUUNZHRXSA-N 448.570 6.380 30 40 IKEB N#C/C(=N\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 9404398 UFQOWJWPTUMMCJ-JFLMPSFJSA-N 441.265 6.475 30 40 IKEB COc1ccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccc(OC)cc24)C3=O)cc1 9423823 HWNUBSAILPTMGP-RPPGKUMJSA-N 441.483 5.391 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)nnc1C1CCCCC1 13028380 VIMDWTMXQPRABY-FQEVSTJZSA-N 442.629 5.084 30 40 IKEB C=CCOc1ccc(/C=C(/C(=O)c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 27017210 CEJQCDWBMMEZFJ-NKFKGCMQSA-N 425.484 6.215 30 40 IKEB CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCCC(C)C)[C@@]3(C)C[C@H]1O2 64573567 WJIXKJVODIQPNM-FMSSLCCRSA-N 444.700 7.376 30 40 IKEB CCCCCCCCCCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)C(C)(C)N2C1=O 70672731 ZBKQFXRPCCOFIV-QHCPKHFHSA-N 437.628 6.513 30 40 IKEB biogenic CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 98048304 JJYFJZQCMBXZID-UHFFFAOYSA-N 435.395 7.325 30 40 IKEB biogenic CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(OC)c(O)c1 104360310 NLBXMXYPTOTMPA-SZXQPVLSSA-N 449.705 6.680 30 40 IKEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccc(Br)cc1 408769216 PLLQWVMQJKYCET-FOKLQQMPSA-N 431.717 5.959 30 40 IKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(F)cc1 408780539 DBNXYRXMOHELCP-FDAWAROLSA-N 426.579 7.452 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N/Nc3ccccc3)c2C)ccc1I 408784244 ADIQXJPERWIREX-LPYMAVHISA-N 429.305 5.453 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1O 408858793 LVOJHIJFPHNYAX-SHSCQTOKSA-N 440.540 5.867 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1ccccc1 408861662 FEAXVQMFFXFBBF-HAHDFKILSA-N 448.519 5.695 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 408909706 IESZANXCAFUXPT-MSXFZWOLSA-N 446.341 5.760 30 40 IKEB C#CCN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O 409046481 KVYMMSPQZVEETR-HYARGMPZSA-N 433.916 5.742 30 40 IKEB C=CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1Br 409109372 CIMPYDPLAGLHPO-UHFFFAOYSA-N 445.582 6.350 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)SC1=S 409148648 ZENRXMKQLVTSAD-JJFYIABZSA-N 431.586 5.418 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c(Cl)cc1OC 409247276 LYQDBQDDNRYYMG-SRWYGHAPSA-N 446.956 5.380 30 40 IKEB COc1cc(C)c(/C=C2/S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C 2186225 QEKANXFTDOFSFP-YCJCGMCGSA-N 434.605 6.674 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c(C)c1 4065381 IOOUDWXTOUJXHG-SLJQUXCSSA-N 449.645 6.610 30 40 IKEB O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 8781732 NKAJMJNCVXJYNQ-KOYYFNRMSA-N 436.895 5.852 30 40 IKEB COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 8888346 IEBOWXSPUXZXHK-UHFFFAOYSA-N 443.334 5.984 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2)cc1 9086258 BSYQYOZIPXRRSY-NRFANRHFSA-N 426.497 5.388 30 40 IKEB Clc1ccccc1Cn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9196037 UHMFJIKPFOTVOL-KKMKTNMSSA-N 442.777 6.774 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)no1 9471323 RIBUWDHKJOHVJO-SFHVURJKSA-N 429.259 5.073 30 40 IKEB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9575282 SCVOZDPFOPEBOP-LRTDBIEQSA-N 441.314 5.954 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cccc(Oc3ccccc3)c2)c2ccccc21 10059709 TZGRFSWZCQAQBE-NDEPHWFRSA-N 433.532 7.345 30 40 IKEB CCOc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 12895315 HLFHVHZAOITRGI-UHFFFAOYSA-N 432.545 5.058 30 40 IKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1cc(F)cc(F)c1 14163697 QKFQRHGPTLWXNP-SFDCACGMSA-N 439.893 6.058 30 40 IKEB Cc1ccc(CN2c3ccsc3C(=O)/C(=C/Nc3cc(C)ccc3C)S2(=O)=O)cc1 20575686 FWKOGAZNEVNWLC-BKUYFWCQSA-N 438.574 5.160 30 40 IKEB C[C@@H](C1CC1)N(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 32936594 GTJFFOHTJCDLHS-INIZCTEOSA-N 442.485 5.020 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccccc1 59193852 ZDDKCAVLCYAQJR-WGOQTCKBSA-N 443.528 5.792 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC(C)(C)C)CC1 72345283 SEPQWHJDNYWEII-UHFFFAOYSA-N 438.637 5.305 30 40 IKEB CCCCCCCCn1cc(OC(=O)CCC)c2c1nc(CCC)n1c3ccccc3nc21 97955841 PJVFTTOQYGMEIT-UHFFFAOYSA-N 448.611 6.856 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118913212 FVWJYYTZTCVBKE-UPGNKWQRSA-N 442.728 6.997 30 40 IKEB in-man CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)/C=C/c4ccccc4)CC[C@@H]32)C1 123276457 SWTNFHMWIPZFLE-PTUYKMGWSA-N 448.647 6.860 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1cccc2ccccc12 408750847 SJNGZACJKILOCZ-WGARJPEWSA-N 428.448 5.177 30 40 IKEB CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)o1 408771978 KLKBCMMZZNYXGX-PKAZHMFMSA-N 435.593 5.747 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408884384 UHHVJWXDZIKZMG-PKIMKDRHSA-N 432.589 6.434 30 40 IKEB CCCn1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 408885902 GOQHCAKLDHGLNJ-UHFFFAOYSA-N 430.592 6.025 30 40 IKEB O=C(/C=C/Nc1ccc(Br)cc1Br)c1ccc(Cl)cc1Cl 409070715 MXWIZUABWSSKEO-AATRIKPKSA-N 449.957 6.327 30 40 IKEB Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 409099353 QJYSKMPXHUMDEM-WNOHRPASSA-N 426.545 5.353 30 40 IKEB Cc1ccc(COc2ccccc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409400781 AXVHYTKBFDUVHU-UHFFFAOYSA-N 445.522 5.833 30 40 IKEB O=[N+]([O-])c1ccc(Cn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)cc1 1863679 WUGAGDSCLUBIAR-ZMOGYAJESA-N 427.489 5.654 30 40 IKEB CCCCCCCOC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 2334893 VAKSSZJZCBSMCS-SFHVURJKSA-N 430.552 5.903 30 40 IKEB CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H]2CO2)c2ccccc12 2442673 FBNOVRADKNFNTI-XMMPIXPASA-N 439.555 6.426 30 40 IKEB C[C@@H](O/N=C/c1ccccc1OC(F)F)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3327467 XWEUAZVKUAQIIA-OXXSUFLWSA-N 437.657 5.626 30 40 IKEB CCCCCCCCCCCCCCCCCC/N=C(/C)c1ccc2ccccc2c1O 8397451 INGLVGYOCHRDMO-ZXPTYKNPSA-N 437.712 9.616 30 40 IKEB COc1cc(/C=N/Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)ccc1O 8427623 ILWWEQVPBZWVPB-NUGSKGIGSA-N 427.835 5.643 30 40 IKEB C=CCSc1ncc(/C=N/OCc2ccc(Cl)cc2Cl)n1Cc1ccccc1 8733710 PYYDIBNVJCTOPL-DHRITJCHSA-N 432.376 6.067 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 8820994 CGZXFUMXAHIPDM-UDWIEESQSA-N 443.355 6.707 30 40 IKEB COc1ccc(N/N=C(/Sc2nnc(-c3ccccc3)n2-c2ccccc2)C(C)=O)cc1 9309984 BJFHCJZPMQNTKC-SLEBQGDGSA-N 443.532 5.050 30 40 IKEB FC(F)(F)c1cccc(N/N=C2\C(SCc3ccccc3Cl)=Nc3ccccc32)c1 12959216 CIRYBPIDMVBQSB-BRPDVVIDSA-N 445.897 7.152 30 40 IKEB Cc1ccc(/N=C2/Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)cc1 13477837 CHGRYVDOMCDAOT-CYYJNZCTSA-N 446.620 5.088 30 40 IKEB Cc1ccsc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1cccc(Cl)c1 14361055 CTAKUWBJEVMYHL-NRFANRHFSA-N 437.996 6.405 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccccc1 16662978 ZASUGSQBBPVAPG-CVKSISIWSA-N 443.528 5.792 30 40 IKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(OCc2ccccc2Cl)cc1 59193681 ZLTPKFPJBBZJIM-WPWMEQJKSA-N 433.964 6.879 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1 215096255 LHFRICBJRPKSMG-LDADJPATSA-N 430.323 5.250 30 40 IKEB CCCCCCCCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OC 408540719 VKEHLHCLSDMMSB-QGOAFFKASA-N 438.977 5.194 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n1CC 408560877 QCDPNUQCKTXZLM-UHFFFAOYSA-N 436.625 5.794 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\Nc3ccccc3)c2-c2ccccc2)cc1 408732256 QDLAFHKFKSDFDM-VAMRJTSQSA-N 427.551 7.566 30 40 IKEB COc1ccc(/N=C2\S/C(=C/c3sccc3C)C(=O)N2c2ccc(OC)cc2)cc1 408840040 AOBPSYVXASFTRA-NFEGURHZSA-N 436.558 5.882 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCCC3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 408843941 BGJAFRNNYGUZSJ-BESZJCKESA-N 429.545 6.079 30 40 IKEB CCc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)cc1 409219389 PVTMDMISABYCHC-WGOQTCKBSA-N 441.443 6.762 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N/c3cccc(Br)c3)c3ccccc32)o1 409390447 FLJDAGCCECOQLD-WYMPLXKRSA-N 437.293 5.582 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OCCC(C)C)c2)o1 1019954 CBYNSGURWQTNBK-QHCPKHFHSA-N 449.503 5.384 30 40 IKEB Cc1cccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)c1 2268723 VCAYEQHYTFUKNF-UHFFFAOYSA-N 443.338 5.630 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)c2C#N)C1 2344069 JWWCACHAGZHTNP-SNVBAGLBSA-N 446.022 5.739 30 40 IKEB Cc1sc(NC=C2C(=O)c3ccccc3C2=O)nc1-c1ccc(Br)cc1 2543499 FBAKSBKTAHQLEY-UHFFFAOYSA-N 425.307 5.256 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)c1cc(C)c(C)cc1C 3350952 WYOZWHREAIRTFR-UHFFFAOYSA-N 440.495 5.345 30 40 IKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@@H]2c1ccco1 6498691 COFDEJPZEYLXTK-MRDQGFSESA-N 428.488 5.112 30 40 IKEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 9307931 YLIZKMNLVRSJRH-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCCc2ccccc2)cc1 9308489 IUGTYIHTRXNSQC-UHFFFAOYSA-N 430.555 6.221 30 40 IKEB CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)cc1 15946427 HYNWTEASYYFSBE-JVWAILMASA-N 432.589 6.645 30 40 IKEB CC(C)(C)C1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 16322761 GIAHGDDTCDWLSF-BFNWXZRRSA-N 430.591 8.485 30 40 IKEB O=C(NCc1ccccc1)c1c(/N=C\c2ccc3c(c2)OCCO3)sc2c1CCCC2 17167116 MUQBGVONZVWWRL-YUMHPJSZSA-N 432.545 5.079 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 18196234 JIBVDMOFOBRWAP-QKFKETGDSA-N 435.932 6.088 30 40 IKEB CCCCCCSc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C#N 21630106 DTPLSLFQMLZDGV-UHFFFAOYSA-N 442.588 6.326 30 40 IKEB CCN(CC)c1ccc(/C=N/c2ccccc2/N=C/c2ccc(N(CC)CC)cc2)cc1 100543536 STLPZBKWRGUEFT-VFIVCBTMSA-N 426.608 6.880 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 102503287 GXLJAAWPPLNJED-ASBZNUFUSA-N 448.475 5.272 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)cc2)cc1 223491355 VSNJFWRTINKPOX-NDZAJKAJSA-N 440.587 7.648 30 40 IKEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(OCC)c1 226326507 AAAJYWSMOBYNFB-UHFFFAOYSA-N 425.706 5.423 30 40 IKEB Cc1cc(N=C2NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc(C)c1Br 408760659 CMPDKVJJHNUTDR-WQRHYEAKSA-N 429.383 6.081 30 40 IKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 408875742 KMPHXDJFSPUPDC-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1ccc(C)cc1 408909540 DMFZYPCIHHILEH-AJGXWLHTSA-N 442.584 6.588 30 40 IKEB C#CCOc1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 408920921 LSBNYGDLJWOPIP-SJRNUSAWSA-N 438.552 5.371 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)nc1 409114069 IMLDSPOTGGRWOM-YPXUMCKCSA-N 440.252 6.432 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)cc2)S/C1=N/c1ccc(OC)cc1 409221783 VEQXMMRHYWFBGO-AOUVVKEYSA-N 446.597 6.470 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cc(F)ccc1C 409362809 SXUDUYVXUBSOOG-UHFFFAOYSA-N 442.585 5.076 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@@H](C)O[C@@H]1c1cc(CC(=O)O)ccc1OCCC 585263974 RYJBKCCWHBCCHV-CXLKWVGHSA-N 442.983 6.582 30 40 IKEB C=CCOc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385565 VRZKVQXUNHMBJM-VUTHCHCSSA-N 431.495 5.664 30 40 IKEB CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC 709536 JQNXMVSIJFLSCI-NGOKVRLYSA-N 440.543 6.073 30 40 IKEB COc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 2131666 HXUSHXYODUVSHP-VHQYDUIRSA-N 426.468 5.598 30 40 IKEB biogenic CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc12 2141525 QXBDYDYTACEPOV-PFMNSIPKSA-N 432.545 5.489 30 40 IKEB C#CCCCCCCCCC(=O)O[C@H]1OCCO[C@@H]1OC(=O)CCCCCCCCC#C 6013654 VIBSGKFRYYRQHJ-CLJLJLNGSA-N 448.600 5.280 30 40 IKEB O=C(Nc1cccc(Cl)c1)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8857176 XALPLJYVXBOZQV-HDHZYAPQSA-N 432.820 5.419 30 40 IKEB CC(C)(C)c1ccc(-c2cc(-c3cccs3)nc(SCc3cccs3)c2C#N)cc1 8951205 DZSOKWBDDKKZGJ-UHFFFAOYSA-N 446.666 8.000 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC(=O)Nc1ccccc1 9144993 ZUWAGMUREHBHMM-UHFFFAOYSA-N 427.554 6.080 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl 9370880 QHLYBKWHGDWSFG-NRFANRHFSA-N 438.310 6.085 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 9546526 LDLXGEDURBQYLF-CMJOXMDJSA-N 431.948 6.167 30 40 IKEB CCCCCCCCCCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 102536379 YGJPIVBFVZLONS-UHFFFAOYSA-N 443.500 6.544 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1 198086359 ZEXZTDAGBUIEHA-SVMUSQEWSA-N 448.994 7.614 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N(C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223602621 WTFKCCHNRILFFT-CXMPCPHJSA-N 447.648 6.729 30 40 IKEB CCCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)SC1=Nc1ccccc1 260563048 FHPBHLPESFAQSA-VYYDMKJGSA-N 445.632 6.641 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 408937147 IINXOJIDRKTIMR-UUYOSTAYSA-N 426.816 5.181 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccccc4F)cc3)c2C#N)C1 409087433 CMWDKSZHDAQTDU-MKCCAMSKSA-N 446.591 7.239 30 40 IKEB N#CCc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cc1 409167463 MABJTHTVJFJWHY-BUFOOBCNSA-N 433.555 6.301 30 40 IKEB O=[N+]([O-])c1ccc(Oc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c([N+](=O)[O-])c1 409200283 HLYZWOFVCFCUGG-SSDVNMTOSA-N 432.219 6.353 30 40 IKEB CC[C@H](C)Oc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409307011 QRSCJLMQSYJGAX-KRWDZBQOSA-N 448.523 5.412 30 40 IKEB O=C(CO/N=C\c1c(OCc2ccccc2)ccc2ccccc12)Nc1ccc(Cl)cc1 409377423 HVXHGPZBFXZLTP-NTFVMDSBSA-N 444.918 6.061 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)cc1 1854588 YZMMWNLFMLYJHN-HKOYGPOVSA-N 436.621 6.934 30 40 IKEB O=C(/C=C(/Nc1ccc(Br)cc1)C(F)(F)F)c1ccc(Br)cc1 3668792 JKPZBHYOSUHICB-OQLLNIDSSA-N 449.064 5.953 30 40 IKEB COc1cccc([C@@H](C/N=C/c2cc(C)n(C3CC3)c2C)c2c[nH]c3ccccc23)c1OC 8718759 DODKOPWPASHMAM-PKEXHZLISA-N 441.575 6.189 30 40 IKEB CCCC[S@](=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N 8994479 IEZCROJHWUNORM-HHHXNRCGSA-N 439.378 5.957 30 40 IKEB Oc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2F)cs/c1=N\C[C@H]1CCCO1 15910277 FXLBHEGZRSUEMV-MKDNRHATSA-N 447.535 5.176 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(OC)cc4)nc3c2)c1O 16688216 YGQVCLCQWLHMSB-ZMOGYAJESA-N 433.420 5.267 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3cccc4ccccc34)cc2-c2ccccc2S1(=O)=O 33271894 NOGKAOAMDQJIJD-UHFFFAOYSA-N 440.524 5.454 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 59959490 MGVKBQZTXZRMGX-OTZYPNAKSA-N 448.910 5.015 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(C(C)(C)C)cc3)c(C)c2s1 72228790 BWPWVGLFWZSSHB-UHFFFAOYSA-N 438.597 6.036 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCCCC2)CC1 72345297 CKBCRNSPWRDBSD-UHFFFAOYSA-N 444.619 5.387 30 40 IKEB Cc1cc(C)c(S(=O)(=O)Oc2ccc(/N=C/c3cccc(C(F)(F)F)c3)cc2)c(C)c1 100933638 IQGIUFDQXGHOGG-MZJWZYIUSA-N 447.478 6.149 30 40 IKEB Clc1ccccc1/C=N\c1ccc2c(c1)Cc1cccc(/N=C\c3ccccc3Cl)c1-2 104391467 IFDIJGNHMUAIRO-SXPCWOMBSA-N 441.361 8.066 30 40 IKEB Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)c3ccccc3C2=O)cc1Cl 408574817 DQLSHVZPIFJIFN-UHFFFAOYSA-N 431.875 5.129 30 40 IKEB Cn1c(N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)nc2ccccc21 408662255 RDLPRWNYVDMSKH-UVHMKAGCSA-N 448.357 6.329 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl 408783934 PICWKTIIBBMQGC-BIFPGVLTSA-N 434.948 6.547 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C(C)C)c1C 409328121 ZMOJEBLOLYBLMX-AWEZNQCLSA-N 443.389 5.554 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Br)c(Cl)c2)cc1OC 409379158 VBSXMELNWWOBBT-ZOCVZFIWSA-N 431.157 6.692 30 40 IKEB COc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1Br 575243106 JZUFGMFIOISGTG-UHFFFAOYSA-N 433.064 5.109 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 4081754 MHAVMNJPXLZEIG-APWXFDQXSA-N 438.696 7.412 30 40 IKEB biogenic O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 4082978 ODDZZRWZCIJQFO-NJHZRGNWSA-N 442.562 7.333 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC 8438961 BMJMLUVREAWAQT-AKCPTTJYSA-N 436.455 5.347 30 40 IKEB CCCC(=O)C1=C(Nc2ccc(/N=N/c3ccccc3)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O 8925992 PZYULESMBJJFGN-IFQZSBTPSA-N 447.535 5.925 30 40 IKEB CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(C(F)(F)F)c2C1 8992205 PPYSDCPHSOLLIL-CQSZACIVSA-N 438.946 7.069 30 40 IKEB CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 9108588 IVLPLGXVTUYFOW-ZTOMLWHTSA-N 438.571 6.479 30 40 IKEB Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 15946469 ZJIQKEVCHBYUGA-ZNUIVASASA-N 448.607 7.350 30 40 IKEB C=C1S/C(=N\c2cccc(OC)c2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 18209445 OVCNAICVLOTKNV-PYCFMQQDSA-N 436.368 5.645 30 40 IKEB C=CCN(C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 18352690 WSZBBUZISWWIJL-UHFFFAOYSA-N 446.601 5.366 30 40 IKEB C(=N\Nc1nc2ccccc2s1)\c1ccc(/C=N/Nc2nc3ccccc3s2)cc1 31719488 SOXLWZZEBCMACC-NQGGHMMCSA-N 428.546 5.798 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(OC)c1O 59245896 BJMBFNSPCBHAQM-AFUMVMLFSA-N 436.533 5.353 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c(C)c2s1 72228632 KOKAIYIALCHRET-RHANQZHGSA-N 442.588 7.030 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 245238792 AXNNSHMUJUSTKY-SBAYCJMBSA-N 434.620 5.744 30 40 IKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(F)cc1 408594497 HNKZARAGJQVLPG-CCVNUDIWSA-N 438.886 5.879 30 40 IKEB CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc1 408753796 QJAYSUBHDCFNGL-QGOAFFKASA-N 430.371 5.187 30 40 IKEB C#CCOc1c(Br)cc(/C=N/N(c2ccccc2)c2ccccc2)cc1OC 408811249 AKXZZPPYYQQRNC-KOEQRZSOSA-N 435.321 5.642 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC(=O)c4ccc(Cl)cc4)c3)S2)cc1 408891339 OVUHVOGQGHBENK-STZFKDTASA-N 448.931 5.759 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)S/C1=N\c1ccccc1 408915425 YGTCLLAYPHURJN-HNEFAFEWSA-N 446.528 5.747 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 408976958 UARHBPJXCBUYHM-VNSNFZHPSA-N 438.358 5.761 30 40 IKEB CCCCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)SC1=Nc1ccccc1 409010731 DHTKBSNFHDQQQG-RAVVDBFUSA-N 443.012 6.921 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)C1=O 409048119 RQFKOGWFABJKMD-DEDYPNTBSA-N 441.936 5.296 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1Cl 409055125 WJEVWAWFGGYHBJ-AQTBWJFISA-N 448.327 5.121 30 40 IKEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1OC 409077490 FPWDUHPOEBFJFK-AGSDWXNQSA-N 430.957 5.617 30 40 IKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccccc1Cl 409119835 QNKJAMUGMKRJKR-UHFFFAOYSA-N 435.995 7.221 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 409171417 AXQPXHWHDZUPBG-BUVRLJJBSA-N 439.540 5.548 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cc2ccccc2o1 409348498 NWFKHXFFSXDDOB-UHFFFAOYSA-N 432.549 5.732 30 40 IKEB CCOc1ccc(NS(=O)(=O)c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1 674102 HZWPWNBDPDQBLB-YZSQISJMSA-N 446.528 5.496 30 40 IKEB COc1ccccc1NC(=O)c1sc(NC(=O)CCCc2ccccc2)c(C#N)c1C 1088140 UWOZTIRSWDINGP-UHFFFAOYSA-N 433.533 5.151 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C 9307520 ARCVSBUUGLPUJJ-UHFFFAOYSA-N 436.581 5.206 30 40 IKEB C=C/C=C(\SC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 9317454 DIAHCWJBJROACT-MFOYZWKCSA-N 428.604 5.158 30 40 IKEB N#Cc1c(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)sc2c1CCCC2 10021612 CJZMIMPHRJCRGR-UHFFFAOYSA-N 448.928 5.301 30 40 IKEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1cccc2ccccc12 10034812 IGTBQACHZWRRFS-UHFFFAOYSA-N 444.491 5.127 30 40 IKEB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(C)c1 13803750 MUDMAZVWZSDGLO-LQKURTRISA-N 438.535 5.065 30 40 IKEB CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3c(Cl)cccc3Cl)cc2)CC1 15981707 FCXHOLGXYQNDCZ-MDZDMXLPSA-N 438.376 5.310 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3)c2C#N)C1 17097783 GDTAVYAIQHWFMK-ZDUSSCGKSA-N 432.014 5.551 30 40 IKEB CCOc1ccc(-c2c(C#N)c(N)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c23)cc1 19830926 DYUCKKSVBIIINK-UHFFFAOYSA-N 448.935 5.282 30 40 IKEB COc1ccc(CCNc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1OC 32603846 WKMUEEBRVLDCQJ-UHFFFAOYSA-N 427.426 5.311 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 59105694 ZHTXANYGQNAAHG-FYJGNVAPSA-N 449.463 5.205 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1 100668830 DQVBMVAKVVDTEQ-NMWGTECJSA-N 434.536 5.435 30 40 IKEB C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 102681237 LYFJQNSFHABRNL-AHWVRZQESA-N 430.935 6.456 30 40 IKEB N#CC1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4c(Cl)cccc4Cl)C3)cc2)CC1 225910568 RAWXEADGABMIPZ-MRXNPFEDSA-N 428.363 5.399 30 40 IKEB CC(=O)Oc1ccccc1/C=N\c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 408775526 UFAJQNRYUCHOSS-YUMHPJSZSA-N 432.545 5.233 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O 408807353 BWSRXTBSXRUGSV-YVLHZVERSA-N 449.757 5.559 30 40 IKEB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/c3ccccc3)o2)cc1 408835384 WUCSQZAORKNXJC-OVVQPSECSA-N 444.556 5.730 30 40 IKEB Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)cc2)cc1 408895346 MJRNSDKJAYSMOW-STZFKDTASA-N 448.931 5.759 30 40 IKEB COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCC#N 408916776 ZCGUZRHRIMGLIW-YUMHPJSZSA-N 445.544 5.541 30 40 IKEB CC[C@H](C)Oc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931787 QGXQZKZSBPZNNC-WTJYETQFSA-N 447.373 5.222 30 40 IKEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc(F)cc1 409210291 JCSAGDXOBVPVIK-MYVOUCEISA-N 442.556 5.502 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OC 409213563 PSWFHYWAANRXMG-KEBDBYFISA-N 429.685 5.411 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccc(F)cc1 1531384059 CCIQVMISDZYUDI-UXHLAJHPSA-N 449.485 5.664 30 40 IKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1ccc(Cl)cc1Cl 3278601 SYFAXFCVPCPINH-UHFFFAOYSA-N 434.392 6.205 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccc(F)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 3305351 GATIHYPMFNRQGI-MUFRIFMGSA-N 426.447 6.392 30 40 IKEB C=CCc1c(C)nc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)nc1O 3856138 HPTNAWQFGGONEB-UHFFFAOYSA-N 435.936 5.532 30 40 IKEB O=c1oc2ccccc2cc1-c1csc(N/N=C/c2cccc(Br)c2)n1 8402092 QOKNTABTFKBFPR-UFFVCSGVSA-N 426.295 5.125 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)C4CCCCC4)ccc3C1=O)cn2C 9421052 CTPUORKZJJHVLL-WYMPLXKRSA-N 431.488 5.289 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)n2)cc1 9925847 JWJOFZQLCLLPQF-VULFUBBASA-N 431.492 5.923 30 40 IKEB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(/C(O)=N/c2ccccc2)CC1 10083084 VXAJQVICSBSNIB-UHFFFAOYSA-N 437.927 5.454 30 40 IKEB CCCCOc1ccc(C(=O)/C(=C/c2cccc(Cl)c2)c2nc3ccccc3o2)cc1 11859533 PZLUQDFOQWCIRS-XLNRJJMWSA-N 431.919 7.084 30 40 IKEB CCN(CC)Cc1c(C)c2c(c(CN(CC)CC)c1O)O/C(=C\c1ccccc1F)C2=O 11865258 LEKPJYJBXWIFAG-HMAPJEAMSA-N 440.559 5.140 30 40 IKEB CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccccc4)nn32)cc1 12589564 OBMCIYAZZWVEQS-XMMPIXPASA-N 442.563 5.782 30 40 IKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 14360353 FMCJYQUNAQUILC-KBKYJPHKSA-N 431.849 6.089 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C2\C[C@@H](c3ccccc3)C(c3ccccc3)=C2Cl)c([N+](=O)[O-])c1 17044839 KNFNODSXKGDCHS-IBGRPIGGSA-N 448.866 6.109 30 40 IKEB Cc1nc2ccccc2nc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 40052106 SOECAPVZKQDBLM-UHFFFAOYSA-N 441.560 5.007 30 40 IKEB COc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C(=O)O)c1 59302740 YPANHYCKSGAJSP-RDRPBHBLSA-N 437.495 6.390 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1 102509229 CULBWZKLZZUWJE-HOGKFDNTSA-N 440.524 5.539 30 40 IKEB Cc1ccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2Br)cc1 408589572 DUQCHPQGGFNDHA-VULFUBBASA-N 435.321 5.759 30 40 IKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 408592724 NQHFOJSYLWCAMP-LGJNPRDNSA-N 439.284 5.590 30 40 IKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)S1 408861948 VRXKXJQDZMOUPC-GRSHGNNSSA-N 432.929 5.036 30 40 IKEB COc1cc(Cl)cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1O 408917097 MLLHBXNEFGFMGT-WSMIJMPASA-N 440.908 5.451 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4c(C)cc(C)cc4C)cc3)S2)cc1 408990201 NGHXMRACIMHPBR-MYYYXRDXSA-N 442.584 6.391 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCC)cc2OCC)S/C1=N/c1ccc(Cl)cc1 409087169 GRBXHFPRPQDQKA-SXZIKPQKSA-N 444.984 6.151 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccn1-c1ccccc1 409297520 WWMXNJIRMKXAEP-UHFFFAOYSA-N 430.467 5.483 30 40 IKEB C=CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3 2305043 PHNPOUKGXRPKEW-UHFFFAOYSA-N 444.581 5.385 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(/N=C/c2c(O)ccc3ccccc23)c1=O 3171907 QKELUFKMTJNIIP-IPPBACCNSA-N 433.389 5.147 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 4027530 UOCUEIOMIAYZNI-DFYREPLXSA-N 428.613 5.468 30 40 IKEB biogenic CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)c(C#N)cc2c1 6134246 CXJLRKKICRXAEI-UHFFFAOYSA-N 432.332 5.543 30 40 IKEB Clc1ccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)c(Cl)c1 8811555 PHTFJVGLLPIHPP-XODNFHPESA-N 442.777 6.774 30 40 IKEB Cc1cccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)c1 8818469 QFYJFHQZABJNML-WKULSOCRSA-N 448.530 5.226 30 40 IKEB Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 9370832 JJOJGHBTMVKRMC-BFEXVFPXSA-N 429.903 5.831 30 40 IKEB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c3ccccc3n2)o1 9631977 GFGMNQIYVNUVQP-UHFFFAOYSA-N 445.862 5.124 30 40 IKEB CCCCCCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccccc2)cc1 12623003 MODCONLAKCZCOT-UHFFFAOYSA-O 431.625 6.456 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccc(OC)cc4)Cc4ccco4)[C@H]3C[C@@H]12 12864668 ACEUHIHDDORUHP-JBMSBTKCSA-N 449.591 5.605 30 40 IKEB biogenic COc1ccc(/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 16227637 DLBFBMZABQPVEF-ATJXCDBQSA-N 426.816 5.030 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N1CCOCC1 20218942 SJHOWINNHQPQFY-UHFFFAOYSA-N 444.749 6.084 30 40 IKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 27529294 KSRLKOSWUQHTNA-ZXVVBBHZSA-N 426.589 6.769 30 40 IKEB C(=N\N1CCN(/N=C\c2ccc(-c3ccccc3)cc2)CC1)\c1ccc(-c2ccccc2)cc1 31670187 NVZHXALZPYSPSN-PUHRYQSPSA-N 444.582 6.006 30 40 IKEB CCNC(=O)O/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)NCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 31829767 ODSCMQMBEHYDCG-KLLNKVHQSA-N 445.604 5.166 30 40 IKEB O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C/c1ccc(Br)cc1 35647568 XNRCNWDESAKXNR-NTEUORMPSA-N 438.144 5.103 30 40 IKEB CCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59484225 VKZUOZGTFFZUAN-VFCFBJKWSA-N 441.600 7.492 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(Cl)cc1 100500562 DMUDXLJHCILEMF-WDIQAHRZSA-N 443.981 5.509 30 40 IKEB C[C@H]1CC[C@@]23CC[C@@H]4[C@](C)(CC[C@H]5[C@@]6(C)CC/C(=N\O)[C@H](C)[C@H]6CC[C@@]45C)[C@@H]2[C@@H]1OC3 100930969 SMVBJUJFMSJJCO-JUPRZGKHSA-N 427.673 6.927 30 40 IKEB Cc1ccc(/N=N\c2ccc(N=C[C@@H]3C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)cc1 408537289 UYSRETUGMHVLTD-CMKLALOZSA-N 443.438 5.151 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 408590103 GBPCUBYFVLEAOE-BRJLIKDPSA-N 444.846 5.526 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408673953 WIESXPJQMMLAAM-WNLYKICVSA-N 438.612 6.082 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2cccc3ccccc23)sc2c1CCCCCC2 408974340 YCLLOJOKYWLPQL-VUTHCHCSSA-N 438.596 7.563 30 40 IKEB COc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C 409008578 YDVLLMBEAPXBHO-QFEZKATASA-N 446.532 5.077 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccccc1OCc1ccccc1Cl 409103867 ZIPUDSCXDIJXGN-RPPGKUMJSA-N 449.816 6.292 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(OCC)c1O 409231329 BXDLLAKOMUXJLB-KWZOLKRCSA-N 438.549 5.152 30 40 IKEB CCCOc1ccccc1/C=C1\S/C(=N\c2ccccc2C)N(c2ccccc2C)C1=O 2082317 OOPHUGDEBSWVEU-ZEHKLFRWSA-N 442.584 6.901 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC 2092392 WOWVYLDBBKOZML-LMTJQJACSA-N 444.556 6.129 30 40 IKEB CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)C)[C@@]2(C)CCC(=O)C=C12 4273505 NLWFAEGYIXBBFY-SFPIXGNXSA-N 442.684 7.139 30 40 IKEB C=CCn1c(S(=O)(=O)Cc2cccc(F)c2)nc(-c2ccccc2)c1-c1ccccc1 6181466 CRBUWOMAQORABC-UHFFFAOYSA-N 432.520 5.516 30 40 IKEB C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC 6191015 QZAMGFJJNXJINQ-UHFFFAOYSA-N 447.575 5.023 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 9261440 ASXBIXZWZVABNI-FYJGNVAPSA-N 449.488 5.454 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 20233544 JVFUQQQFSWHXPC-YZSQISJMSA-N 430.529 5.040 30 40 IKEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SCC(C)C)cc1C 32828898 ABLGNCLFNSDTPG-FQEVSTJZSA-N 425.579 5.033 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@H]2c1ccccc1 44973583 HUVPILIJOWCQGE-FQEVSTJZSA-N 442.588 5.552 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O 100299485 OPJAXOFGWGCBMU-DHRITJCHSA-N 445.431 5.367 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccc(Cl)cc1 100529864 RPXZXDKQLMGGMG-AONURPCGSA-N 448.400 6.154 30 40 IKEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 102368969 UJHPSZJFOCZCPG-HOGKFDNTSA-N 448.906 5.149 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)S1 223553681 GREIVKAMMQOPIW-PVFDWLMNSA-N 433.621 6.387 30 40 IKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 250825559 WYYCOWWTNRYIAQ-LWDWJGHZSA-N 425.484 5.361 30 40 IKEB C=C(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253534227 XTCFYHGQQPCUJI-KUKCXLQESA-N 444.744 7.386 30 40 IKEB biogenic,in-vitro Ic1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408549890 AYKPBPMCNGKUKF-MFKUBSTISA-N 441.356 6.510 30 40 IKEB COC(=O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 408911629 AFUSRDSYUDKOJJ-WSDLNYQXSA-N 430.323 6.039 30 40 IKEB CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408944966 VPHKNZNFVYJJBP-YBPWUCAYSA-N 444.578 7.816 30 40 IKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408953635 WUXFWDADVXQUIB-OPEKNORGSA-N 445.302 5.636 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c2C)cc1 409080292 MTUUQDIAZKSJOE-YKKQWCMESA-N 429.633 7.237 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 409101175 WCPATFDYOQORSF-DEDYPNTBSA-N 443.952 5.712 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 409216600 JTTPOKVGHYTZHY-CVKSISIWSA-N 438.365 6.794 30 40 IKEB Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(C)c(Cl)c2)cc1 409219331 POKKVCZXUJFZEV-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CC(C)(C)Oc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 1531384992 QSTYNZJQNQWGNW-WGOQTCKBSA-N 442.475 5.031 30 40 IKEB CC1(C)CC(=O)C(Sc2ccc(Br)cc2)=C(OC(=O)c2cccs2)C1 955233 LUDZTKJEVZBZKP-UHFFFAOYSA-N 437.380 6.060 30 40 IKEB FC(F)(F)c1nnc(S)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1916059 OKTNFXGVFPUKKN-BRJLIKDPSA-N 428.439 5.200 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCC 2028937 SFQJTSIUDXSYRW-XMMPIXPASA-N 439.596 5.813 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C#N)C1 2086279 VQPVWWRIJNKDHO-LBPRGKRZSA-N 431.945 5.975 30 40 IKEB N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2c(/C=C/c4ccc(Cl)cc4)ccc(=O)n2C3)c1 5439871 FKLVFIYQJNKFQU-YYLDKTNSSA-N 441.962 5.163 30 40 IKEB biogenic,in-vitro CCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc1 6162451 OWTBQNHTJKZQRR-RUZDIDTESA-N 446.547 5.091 30 40 IKEB O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1C1CCCCC1)CCCC3 8431510 NNIKZWXCCWWWAT-AFUMVMLFSA-N 441.000 5.941 30 40 IKEB CCCCSC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@@H](OC(C)=O)CC[C@@]32C)[C@@H]1CC#N 8616311 JFFSTLYNUSZJBJ-AMAPAYRQSA-N 431.642 6.061 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(=O)OCc1ccccc1)[C@@H]2c1ccc(Cl)cc1 8748038 WSDGGKBASRLSBF-HXUWFJFHSA-N 437.923 5.011 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Br)cc1 8821175 GKLNXGRRLXTWKU-JYRVWZFOSA-N 428.138 5.648 30 40 IKEB Cc1c(Cc2ccccc2Cl)c(NCc2ccccc2)n2c(nc3ccccc32)c1C#N 9308531 OYNMWVWGFNRZBM-UHFFFAOYSA-N 436.946 6.524 30 40 IKEB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C 9614292 AITJTURKCCCOIZ-MIZPHKNDSA-N 441.402 7.134 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccco1 9934354 RNCCSISZHQBOIK-CLYVBNDRSA-N 442.515 5.599 30 40 IKEB Clc1ccc(CN/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 10119136 STSBHRVJOQCVCO-MUFRIFMGSA-N 435.354 6.849 30 40 IKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)c2C#N)C1 19630970 KHCIQSOSPRVACU-LBPRGKRZSA-N 439.993 5.678 30 40 IKEB Oc1ccccc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 20033372 BRGJIRDEULZHNL-SKWFZLDSSA-N 444.578 7.020 30 40 IKEB O=C(C[n+]1cc(-c2ccc(Cl)cc2Cl)n2c1CCC2)c1ccc(Cl)cc1Cl 35682706 KZHZAAMGBNPNID-UHFFFAOYSA-N 441.165 5.885 30 40 IKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 97940012 ILOLDPMFRNCBBN-SFHVURJKSA-N 427.541 5.380 30 40 IKEB CCCCCCCC(=O)c1cc(OC(=O)CCCCC)ccc1OC(=O)CCCCC 100937695 NZNORZZEFYBQEY-UHFFFAOYSA-N 432.601 7.201 30 40 IKEB Clc1ccc(/N=C(/C=C\Nc2ccc(Cl)cc2)c2ccc(Br)cc2)cc1 101062805 LUPXJMMBJSUUAZ-HNCIKHADSA-N 446.175 7.503 30 40 IKEB Cn1c(N)c(-c2nc3ccccc3s2)s/c1=N/C(=N/c1ccccc1)c1ccccc1 102478842 HPYPDSBZLJMRTH-QJGGEWOVSA-N 441.585 5.625 30 40 IKEB Cc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 102873916 DDQXZYQKEWLMJM-JBCNATCCSA-N 444.487 5.370 30 40 IKEB CCCCCCCCCCCCC[C@@H](CCCCCCCCCCC)C[C@H](C)C(=O)O 105406322 JFXBYIDWKXORSN-WUFINQPMSA-N 438.781 10.335 30 40 IKEB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)C=C(O)C(=O)C(C)(C)[C@H]1CC3 263609178 UTKPULHOQVNYNK-GWLZVWGHSA-N 438.696 8.349 30 40 IKEB Cc1cc(C)cc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408729422 BHGPGIUVAMZTJB-WEMUVCOSSA-N 426.563 8.179 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1Cl 408780079 RNNBHAGYCVIULT-GCXIQGEKSA-N 434.948 6.153 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1C1CCCCC1 408915697 ZLYQFMKNCUJMPN-FTJNEJEMSA-N 435.549 6.094 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(C(=O)OC)=C1C 409009295 CXGRXTSMZGKZRB-WQRHYEAKSA-N 445.346 5.260 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1cccc(F)c1 409115680 SUPNBKLAQBPGCE-UHFFFAOYSA-N 439.958 7.106 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OCC 409329216 CGHFPUKXAVGMQG-CPNJWEJPSA-N 445.993 6.018 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O 1435016 XLXGZQTVYLVWPF-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB N#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2cc3ccccc3o2)n1 3372227 OSMHXMASHJDOCM-UHFFFAOYSA-N 435.281 5.225 30 40 IKEB CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 6135446 STOWDWXVIRGYIW-UHFFFAOYSA-N 449.579 6.580 30 40 IKEB CCc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 8450495 SQKWGNBLDPPRJC-FUQOYWQNSA-N 443.616 6.677 30 40 IKEB COc1ccccc1[C@@H](CNc1oc(Cc2cccc3ccccc23)nc1C#N)N(C)C 8915850 WWBOCEUHUVGZLM-HSZRJFAPSA-N 426.520 5.014 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 8992181 IANJMAAMINZOIL-BRJLIKDPSA-N 447.893 6.649 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 9303199 FPHSGYSTLOCTAV-PKAZHMFMSA-N 448.474 6.198 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2cc(Cl)ccc2o1 9667598 LSQVSVPJWIFTCF-UHFFFAOYSA-N 442.903 5.401 30 40 IKEB C[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1ccccc1C#N 9729571 BITMMWGSGPGUGX-CYBMUJFWSA-N 436.587 5.858 30 40 IKEB COc1ccc(/C=C\C(=O)OCCOc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 13406649 OFMZLJFYBQURED-HMQSQOOHSA-N 428.484 5.227 30 40 IKEB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1ccc(C#N)cc1 14085575 LINMLGBTERPYEX-UHFFFAOYSA-N 440.934 5.396 30 40 IKEB COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(Cl)c1O 15227516 APIQWYQWALTPTD-RWPZCVJISA-N 428.875 6.603 30 40 IKEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 19314531 WGTIFUWEMHRDIA-SFHVURJKSA-N 432.358 5.006 30 40 IKEB CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 19898342 LZQCZJVAWMCIKN-UHFFFAOYSA-N 437.580 5.457 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463686 LUTFTMNUMSNOBQ-AFUMVMLFSA-N 433.920 7.098 30 40 IKEB COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1C 101457616 KIKJYSRQNGNJJM-JEBQXDLDSA-N 434.517 5.409 30 40 IKEB O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102619229 JZXZXNHFOCTHJU-YDJIHCHBSA-N 441.380 5.471 30 40 IKEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/c1ccc(/N=N/c2ccccc2)cc1 103460667 BBCGEOKSUREYKT-JQRDNDPDSA-N 441.516 6.959 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\C(C)=C\c1ccccc1 104376683 AVFQNOCRESGCFT-JETRBOSFSA-N 443.745 8.021 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cc(C(=O)O)ccc3Cl)c3ccccc32)c1 408544458 WDYJGULPOSJZPW-UVHMKAGCSA-N 446.890 5.578 30 40 IKEB CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=N/OCc1ccccc1C#N 408597154 XONRWMTUFFIGNF-OGLMXYFKSA-N 428.488 5.137 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3Cl)c2-c2ccccc2)cc1 408731284 JKXUGOHUGSPIAC-RUMWWMSVSA-N 446.981 8.524 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 408859793 ZBMPVKPALAKNRM-NBYZSLATSA-N 429.589 6.361 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(OC)c1 408871221 YVVNMSKPJLWPAZ-WORPXPHDSA-N 436.577 5.887 30 40 IKEB Cc1cccc(Cn2cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)c3ccccc32)c1 408874434 BJKDKZWNDKYYNQ-OYKKKHCWSA-N 441.531 6.029 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2CCc2ccccc2)cc1 408910201 GFHHZEGTVVDCMQ-ACWMPWAISA-N 432.976 6.495 30 40 IKEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1Cl 409092625 VTXUUULRBBZQRE-JXQPYYAVSA-N 435.376 6.262 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 409207896 CFPFHAVEAQJNIE-VULFUBBASA-N 442.328 6.625 30 40 IKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409252854 XZZIAFJOJGXWPW-NLRVBDNBSA-N 447.560 6.496 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(N2CCCC2)cc1 409284802 VHEUATVRUNIMAO-UHFFFAOYSA-N 434.499 5.292 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC(C)C)c1 409319907 NNRHVDQVRXYBPG-UHFFFAOYSA-N 442.357 5.171 30 40 IKEB O=C(c1ccc(OC(F)(F)C(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242819 KBBLJLANEWCDOZ-UHFFFAOYSA-N 440.155 5.574 30 40 IKEB CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC(C)C 1531382734 JJSVNFPDMUSDTI-WPWMEQJKSA-N 427.504 5.132 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2cc(OC)ccc21 9423203 AJCHROPVPRFUPO-RPPGKUMJSA-N 443.474 6.004 30 40 IKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(O)c1 18173442 UOPLVZLFMIOCSJ-WPWMEQJKSA-N 447.604 6.182 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)c2C#N)C1 19630966 KHCIQSOSPRVACU-GFCCVEGCSA-N 439.993 5.678 30 40 IKEB CCCCCCCCn1c(CCC)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 97953062 WNQXTYZMWYGKJX-UHFFFAOYSA-N 441.641 6.171 30 40 IKEB CCCCn1c(/N=C/c2cccc(OC)c2O)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176631 LLPFFWOYHYDXLG-AJBULDERSA-N 449.554 6.959 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)c2ccccc12 138168799 GVTYRXPFNWUZFB-PTORLYRRSA-N 437.590 5.850 30 40 IKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2[C@H](C)CC1(C)C 198101712 PIYSNZQQXXPQPC-FRDWBBKPSA-N 442.603 7.659 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408594632 UMBOREIKCMYAIU-WYMPLXKRSA-N 431.275 6.031 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(I)c(C)c3)c2C)cc1 408752125 FZOFNFQHKTXXPQ-OYKKKHCWSA-N 442.344 6.320 30 40 IKEB CCOc1ccc(Cl)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 408807427 CIOXJXMWHLDAEN-AREMUKBSSA-N 431.963 7.201 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(Cl)ccc2OC)NC1=O 408882809 ODNKOFAIYLILPP-BKUYFWCQSA-N 438.936 5.792 30 40 IKEB Cc1ccc(COc2ccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 1531384232 XNPMNAIUHNYFTN-NDZAJKAJSA-N 445.522 5.833 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3F)C2)[C@H]1c1ccc(C)cc1 1481048 MAZMYUIRJFIAFD-WTYVLRPYSA-N 440.518 6.055 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c(OC)c1 2103883 LUROYPXYWUIEBX-JJFYIABZSA-N 436.847 5.193 30 40 IKEB biogenic COc1ccc(-c2c(C#N)c(SC)nc(C)c2C(=O)Nc2ccccc2C)cc1OC 2410312 OONIRUMZQLKLIM-UHFFFAOYSA-N 433.533 5.229 30 40 IKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc([C@H](C)CC)cc2)CC1=O 4910501 JFCBJJQXBQGVQF-IRLDBZIGSA-N 431.580 5.521 30 40 IKEB CCCN(CCC)[P+](N(CCC)CCC)(N(CCC)CCC)N(CCC)CCC 5591213 WVPQNSOBFJZBRZ-UHFFFAOYSA-N 431.714 7.152 30 40 IKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c(OC)c1 9130409 BRBXTEDIMJPHRJ-RUZDIDTESA-N 446.547 5.257 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC 9232820 DYYFOROXQUWCDA-YBFXNURJSA-N 449.956 5.848 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1 11866181 FFTUHMVWENSXFN-FMCGGJTJSA-N 430.843 5.494 30 40 IKEB biogenic CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc23)C1=O 13582992 PQVZICXKNNRIPL-MLKPGFSBSA-N 429.589 6.173 30 40 IKEB C=CCc1ccccc1OCCOc1cccc(/C=N/Nc2nc3ccccc3s2)c1 13895570 YWHSNVZSSNRRRL-NLRVBDNBSA-N 429.545 5.929 30 40 IKEB Fc1ccccc1/C=N/n1c(-c2ccc(Cl)s2)cs/c1=N\c1ccccc1Cl 25396234 LCHLSKZUDRUXPJ-ASVIZDKHSA-N 448.375 6.839 30 40 IKEB CCCCCCOc1ccc(/C=C\C(=O)/C=C/c2ccc(OCCCCCC)cc2)cc1 77051466 XKEDONQIWMPPPP-MJZABRMRSA-N 434.620 7.901 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 83293084 IARVIZJAOAONQB-HAHDFKILSA-N 448.519 5.695 30 40 IKEB CCOc1cc(/C=C2/CCc3c(C)cc(C)cc3C2=O)cc(Br)c1OCC 95950277 ZYFTZWKJBNCUEJ-BOPFTXTBSA-N 429.354 6.076 30 40 IKEB CCCCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 97951145 FLJMDZNMLJQVLU-UHFFFAOYSA-N 427.683 7.523 30 40 IKEB CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 98046261 KNFWDEOYRQGUQA-JOCHJYFZSA-N 425.956 6.279 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H]1OC(=O)C(O)=C1O 100634117 LITUBCVUXPBCGA-XXBNENTESA-N 442.593 5.405 30 40 IKEB endogenous,in-man C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)/C(=N/c2ccc(Cl)cc2)S1 105070774 XXQXWDQLDZONDF-QSTLEPTJSA-N 436.320 5.566 30 40 IKEB COc1ccc([N+](=O)[O-])cc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O 408725795 KJEMEBLEBXIORU-YACCPEJUSA-N 437.521 5.540 30 40 IKEB COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Br 408737648 FSMYXUUPYXSMGA-SXGWCWSVSA-N 437.746 5.311 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC 408933573 AWQXCYDXPHSWOB-HVGHKUKKSA-N 438.571 7.061 30 40 IKEB C=CCn1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 408960504 GAURHZBSVCYZLR-WOJGMQOQSA-N 428.344 6.026 30 40 IKEB CC/N=C1\S/C(=C\c2cc(Br)c(Sc3ccccc3)o2)C(=O)N1CC 409002019 LPCXEAPFVCVDBC-GZNJHTOZSA-N 437.384 5.505 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccccc1OCc1cccc(F)c1 409102614 YYLVOBIJXGFCCF-RPPGKUMJSA-N 433.361 5.778 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409199966 GCWFXAXSIYCHJG-MFKUBSTISA-N 443.952 5.874 30 40 IKEB COc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc12 409299052 YIMFZBPKUYHMEF-UHFFFAOYSA-N 445.478 5.854 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OC 409312545 LSBFOELYEKUNNM-UHFFFAOYSA-N 448.748 5.046 30 40 IKEB CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccccc3-c3nc4ccccc4s3)cc2)cc1 1955010 PKMWEESBDJNQFX-RDRPBHBLSA-N 448.547 7.306 30 40 IKEB CC[C@H]1CCc2c(sc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)c2C#N)C1 2742231 KMVQYZAWHWLFOY-SBUREZEXSA-N 432.614 6.607 30 40 IKEB Cc1cc2nc(-c3ccc(/N=C/c4cc(C)c(C)c(Br)c4O)cc3)oc2cc1C 3087389 MEAOYMHKDRWVOK-RPPGKUMJSA-N 449.348 6.947 30 40 IKEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1OCCCOc1ccc(C)c(C)c1 8984162 CKKLSIBGNGWFTG-YZSQISJMSA-N 449.507 5.514 30 40 IKEB COc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCCC3)c(OC)c1 9907618 KUFUSXIITMJVQI-VULFUBBASA-N 438.524 5.786 30 40 IKEB Cc1ccc2cc3c(nc2c1C)S/C(=N/CC(C)C)N(Cc1ccc2c(c1)OCO2)C3 12880002 ZGAOVEPDPBXNOH-OCEACIFDSA-N 433.577 5.700 30 40 IKEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 19228281 PTECIZRFUPKROG-VWLOTQADSA-N 444.575 5.100 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1OC 27015750 DDQNIFKJTLUBNI-RQZHXJHFSA-N 441.556 5.896 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)c(OC)c1 32604373 GVUZJNLIOMPQHY-UHFFFAOYSA-N 436.364 5.747 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(C)c(F)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1 32984436 YEHRVIUZRJMLGG-UHFFFAOYSA-N 439.483 5.540 30 40 IKEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(C2CCCCC2)c1C 72305314 GAQZUPXOIGNYKK-LOSJGSFVSA-N 443.595 5.192 30 40 IKEB CCCCCCCN/C(CC)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100171813 IUGPJQFYFLHJNY-SAPNQHFASA-N 438.519 5.785 30 40 IKEB O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102926326 CEADUZPXBWGMOR-UYTDBDHRSA-N 431.300 5.076 30 40 IKEB CO/N=C(/C)[C@H]1/C(=N/OC)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118913929 KLCZPBNZZJGNRW-PANMEWGXSA-N 432.605 5.212 30 40 IKEB biogenic,in-vitro Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]32)cc1 118929878 VBLKGSKRRMCRKY-SDCMWZCSSA-N 444.637 5.681 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1ccccc1 408798004 DHAFOQREOUONIJ-WKIKZPBSSA-N 432.829 6.127 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)S2)cc1 408966889 RBQHEZHXFATEBQ-AFUMVMLFSA-N 448.551 5.761 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)cc1Cl 409022155 GURJLEVGYGCAIQ-VULFUBBASA-N 438.980 6.600 30 40 IKEB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)c1 409075813 UNBCCGISWFNSEW-LUOAPIJWSA-N 430.430 5.049 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)c([N+](=O)[O-])c1 409090189 MDFXFIBQDFEMSK-JZNDDVEWSA-N 447.560 6.998 30 40 IKEB COc1cccc(Oc2ccc(/N=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)cc2)c1 409202940 VGKJNVUPXLQVRU-MTDXEUNCSA-N 439.515 6.040 30 40 IKEB CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N/c1ccc(F)cc1 409242973 QBMLCGOHEFPZDA-AOFZEWBLSA-N 426.516 6.756 30 40 IKEB CCN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)S/C1=N/c1ccc(F)cc1 409249790 VPPOJGZJXWOSTH-DNMJAHNKSA-N 444.329 5.693 30 40 IKEB CCOc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 830372 INMBJBTYRUWKEK-KWXIBIRDSA-N 445.522 5.370 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1450490 GPZYWWTWTRLGPW-QFIPXVFZSA-N 446.503 5.072 30 40 IKEB CC(C)(C)c1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O 1740225 XOPUESJIOIAWEL-WPWMEQJKSA-N 428.020 5.797 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2443123 SMLYEZMEVCNDAS-UHFFFAOYSA-N 448.636 6.283 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O 8438753 JACQLCOQEXLMCM-TVBXNAKKSA-N 448.588 6.066 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)no1 8743984 SJAHVJFTNQWEOL-SFHVURJKSA-N 429.259 5.073 30 40 IKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c1 8853792 DEXHNMVTDNITDK-IOXBOXJCSA-N 447.266 5.876 30 40 IKEB COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1COc1ccc([N+](=O)[O-])cc1 9046299 KLRRZGLETBWHLL-YCRREMRBSA-N 447.531 5.981 30 40 IKEB CCOc1ccc(/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 9109098 WDDHFCKHYYDBCB-ROMGYVFFSA-N 425.315 6.060 30 40 IKEB Clc1ccc(CN/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 10118872 JOFUTPHJSKAURX-XODNFHPESA-N 442.777 6.774 30 40 IKEB C[C@@H]1C=C(OS(=O)(=O)c2ccc3ccccc3c2)N(c2ccc(Cl)cc2Cl)N1 11691672 STOYROZZYGWKQB-CYBMUJFWSA-N 435.332 5.107 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2C)S/C1=N\c1ccccc1 13942725 JTKJPGWNQOYENL-SIDNSYPESA-N 449.620 5.626 30 40 IKEB O=C1CCCC/C1=C1/SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 17255787 UQFVZTVHLXGIEC-DVQPUMTRSA-N 437.568 7.055 30 40 IKEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 19228278 PTECIZRFUPKROG-RUZDIDTESA-N 444.575 5.100 30 40 IKEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccc(C)c(C)c3)S2(=O)=O)cc1 20558796 JTYSBGWNNOURLW-BUVRLJJBSA-N 432.545 5.098 30 40 IKEB O=C(/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1)c1cccc(Cl)c1 32665176 XPVLVQSVOHDDCB-JWGURIENSA-N 443.934 5.476 30 40 IKEB O=C(C1=CN(c2cccc(Cl)c2)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1 32984243 CCHWZHHYSAGSNN-UHFFFAOYSA-N 430.312 5.643 30 40 IKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 36611480 WNUCEJPISUPWJX-LSFURLLWSA-N 426.876 5.344 30 40 IKEB C/C(=N\c1cc([N+](=O)[O-])ccc1C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 57481075 PDSPHFYWCGATNH-SZXQPVLSSA-N 428.536 5.360 30 40 IKEB CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N\c1ccc(Br)cc1 102594458 MRNIBWWDQYQHAE-ROMGYVFFSA-N 433.353 5.938 30 40 IKEB C=CCOc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cn1 225937707 WLRXRHZJTIYZKC-UHFFFAOYSA-N 448.566 6.122 30 40 IKEB C=CCOc1c(I)cc(CNc2ccc(F)c(Cl)c2)cc1OC 408603034 AITJQXMQYNWMJI-UHFFFAOYSA-N 447.675 5.269 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 408734339 XCCATWAXQVWYHW-CVKSISIWSA-N 435.932 6.923 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(CC)cc4)NC3=O)c2c1 408780829 LROAJYNNYKDKBG-JLPGSUDCSA-N 446.572 6.091 30 40 IKEB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408806916 BOBNQJSLIKVVCR-QRVIBDJDSA-N 443.528 5.211 30 40 IKEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N1C 408930208 UCEIRPLFXFENLB-MDRWVBAWSA-N 437.348 5.113 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 408960209 JQBRGSWQVABIAJ-OZJHTRJKSA-N 435.593 5.317 30 40 IKEB COc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1ccc(F)cc1 408982887 ZPEXSUREYXLPPA-UHFFFAOYSA-N 425.463 5.596 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 409043294 YRMWSYQMCFNDJE-JQAMDZJQSA-N 428.735 5.633 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2c1CCCC2 409212192 NVCJIQITSZIGHO-ZVBGSRNCSA-N 427.309 5.769 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 409249501 ULPFDMQRMOLEEO-ZXMQTSGQSA-N 437.348 5.635 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1 409341479 BGGSHWWDORUWCZ-AWEZNQCLSA-N 447.391 5.554 30 40 IKEB Cc1nn(-c2ccc(Br)cc2)c(Cl)c1C=C1C(=O)c2ccccc2C1=O 672767 MAGPRYDBSJYWJB-UHFFFAOYSA-N 427.685 5.059 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)cc1 812877 NKZJACGFXGJYRH-CLYVBNDRSA-N 442.515 5.389 30 40 IKEB O=C(C1=C2SC=C(c3ccc(Br)cc3)N2CC1)c1ccc2c(c1)OCO2 3293328 WTKCXIHVQKFSHI-UHFFFAOYSA-N 428.307 5.023 30 40 IKEB CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O 3874202 DKHGMERMDICWDU-OFLNSDMBSA-N 444.659 8.918 30 40 IKEB aggregator,investigational Clc1ccccc1/C=N/c1cc2c(cc1/C=C/c1ccccc1)C[C@H](c1ccccc1)N2 4235257 LXELOHAFCYYCOU-HFKRYZJJSA-N 434.970 7.970 30 40 IKEB CCOC(=O)c1[nH]c2ccc(OCC)cc2c1/C=N/N(c1ccccc1)c1ccccc1 8399382 NZEQKBVZJTZYTG-OVVQPSECSA-N 427.504 5.916 30 40 IKEB N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc2c(c1-c1cccs1)CCCC2 8405999 NCDQVCLOWQNZLD-UHFFFAOYSA-N 431.413 7.160 30 40 IKEB O=c1c2c(nc(N/N=C/c3ccncc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1 9065931 KXGQOUITEBFROH-NDZAJKAJSA-N 447.542 5.108 30 40 IKEB CC(C)(C)[C@H]1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(C(F)(F)F)c2C1 9423049 XAFSHQILHXJWIC-AWEZNQCLSA-N 438.946 7.069 30 40 IKEB N#CC1(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)CCCCC1 9595412 AYBXVAAROKKXGP-UHFFFAOYSA-N 428.608 5.301 30 40 IKEB CCCOc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1OCC 10119116 MAJJZWLJHBLGAO-YDZHTSKRSA-N 425.754 5.414 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 13476991 KMVLDKQZXPNHKT-WOJGMQOQSA-N 425.853 5.400 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 14133300 CTPWQPXSXGRHFB-UHFFFAOYSA-N 436.581 5.206 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 16807902 FUYRNDRHMPQAMS-UHFFFAOYSA-N 448.636 6.283 30 40 IKEB N#Cc1c(/C=C/c2ccc3c(c2)OCO3)cc(-c2ccc(Cl)cc2)n2c1nc1ccccc12 33778161 QXBPFXXRLCVZJL-FNORWQNLSA-N 449.897 6.579 30 40 IKEB Cc1ccc(-c2noc([C@H](C#N)C(=O)c3nc(-c4ccccc4)n4c3CCCCC4)n2)cc1 40150551 GJPGIKSTAJPXLO-HXUWFJFHSA-N 437.503 5.125 30 40 IKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)F)c1O 100222752 KENFDMBWEDLCAR-OXUBWTJQSA-N 439.327 5.840 30 40 IKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 102860984 HJUJNWSQBWVYSQ-HOGKFDNTSA-N 440.524 5.539 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1OC 408719762 QWJIEAFIDJGDME-JXKYSLRESA-N 444.556 6.129 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCC#N 408755602 RAIIVIZKDZMLJD-UYRXBGFRSA-N 441.940 5.095 30 40 IKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408848153 PRLMHHPBXKHZPU-UHFFFAOYSA-N 437.322 6.652 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c(C)c1 408910791 HYWTXCURJJXQKU-YCJCGMCGSA-N 428.557 6.429 30 40 IKEB Cc1cc(Br)ccc1/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408946688 PKFRZWGUVSMIEE-MYKKPKGFSA-N 445.744 6.267 30 40 IKEB Cc1ccccc1Oc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409076099 XTWOIMXKYIGIDY-MTDXEUNCSA-N 429.972 8.343 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 409105055 IFWCMLRTWBIPFY-KBKYJPHKSA-N 446.385 5.042 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(OCC)cc1 409120448 ZNXJMTMOQAGFQU-UHFFFAOYSA-N 441.163 5.787 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409208647 DKDDDGKSWHTNHH-MZJWZYIUSA-N 436.939 6.042 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409213582 PXMKYHRQTKUNLY-VULFUBBASA-N 438.911 5.434 30 40 IKEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c1 409338469 KNMJLSMEEMAOBP-LDADJPATSA-N 430.323 5.250 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCC 2028929 SFQJTSIUDXSYRW-DEOSSOPVSA-N 439.596 5.813 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C 2734159 VPPYNVKVOBODLN-HXNPFYCNSA-N 427.573 6.178 30 40 IKEB COc1c(Sc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(C)nn1-c1ccccc1 3045088 CZYDIVLBEJSXTN-UHFFFAOYSA-N 436.352 5.916 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Br)cc1 3116391 YSTKVUHKDOMVKQ-WYMPLXKRSA-N 449.131 6.726 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC 3146698 GHDFLDDQEXFYLU-QHCPKHFHSA-N 441.568 5.041 30 40 IKEB COc1ccc(OC)c(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C)cc2)c1 3321856 SPLVCGAWDKVIEL-UHFFFAOYSA-N 442.544 5.424 30 40 IKEB CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 4061510 PNOZYXWTWMGNKG-XMMPIXPASA-N 437.580 5.565 30 40 IKEB CCO/C(=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(C)cc1 6023881 TZCUUCVASQVFQS-HZCQXGLJSA-N 440.952 5.267 30 40 IKEB O=C(O)c1cccc(-c2ccc(/C=N/Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c1 9833644 ITFXPTPWBOVMQQ-OAHLVZFQSA-N 446.278 5.666 30 40 IKEB Clc1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 12564636 QDSPNGXFMMGKJM-CVKSISIWSA-N 430.895 5.410 30 40 IKEB O=C(O/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1cccs1 12961290 WLDDHYVMDQYIKT-ZMOGYAJESA-N 438.961 6.433 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1C 33618593 PQVSWPBQFGSBKC-AJGXWLHTSA-N 442.584 6.159 30 40 IKEB CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N/c1ccccc1 96624477 GGPQGDDEVVCVMA-GNPNYKALSA-N 446.528 5.905 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)c(Cl)c2)/C1=C(\O)c1cccs1 102802891 LIPAXNJFABKUHE-SELCWUDQSA-N 445.327 5.072 30 40 IKEB CC[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nnc(C)s1 215748795 VPQRYGJCBYYUQF-URMYYVDKSA-N 431.974 5.155 30 40 IKEB CSc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1 408758998 WGTWHFCYTSVTHO-YBEGLDIGSA-N 433.396 5.679 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)S1 408820265 WJFZMGWEEJAKNS-NHDPSOOVSA-N 439.943 6.087 30 40 IKEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(C)cc1 408909258 FYGFBIMPZWQGDO-PKAZHMFMSA-N 445.519 6.055 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 409212425 MEHRNSSZVPADBZ-MFKUBSTISA-N 440.337 6.186 30 40 IKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)c1cc2ccccc2o1 2635698 TZUJHLKCGXYXJY-UHFFFAOYSA-N 433.533 5.327 30 40 IKEB Clc1cccc(Cl)c1/C=N\N1CCN(/N=C\c2c(Cl)cccc2Cl)CC1 4990771 FWAVDYMDHKDANB-CBSQCECLSA-N 430.166 5.286 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C 6444558 PTHVLYUCAXUJBI-DEOSSOPVSA-N 430.548 5.246 30 40 IKEB N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(c1-c1ccccc1)COCC2 8706712 UNOAIEXAERSESG-UHFFFAOYSA-N 435.936 5.077 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 9186581 RITAFLIKEAQDTQ-XCZPVHLTSA-N 438.571 6.791 30 40 IKEB Cc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 9434377 SFRLEGVFKGVQNQ-BHGWPJFGSA-N 425.257 6.161 30 40 IKEB Cc1cc(C)nc(N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 12570298 ZQCPAFMTPFGVKG-OGLMXYFKSA-N 438.531 5.697 30 40 IKEB CCc1cc(SCC(=O)Nc2cccc(SC)c2)n2c(nc3ccccc32)c1C#N 13141687 CZJIROOOHIZTHZ-UHFFFAOYSA-N 432.574 5.374 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 14082159 GIIIZHSYBIXGNW-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB C=CCn1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 14408481 YJEMJLLAJJRMQL-ZCTHSVRISA-N 427.507 7.377 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1cccc(Cl)c1 16268119 LVMQXJCQUZXOLC-LJQANCHMSA-N 444.749 7.255 30 40 IKEB COc1cc2c(cc1OC)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2 18197157 IJBQHCMRVOKICQ-SANMLTNESA-N 427.500 6.061 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cccc(F)c1 20503322 YQQHZCIANJHEGK-VWLOTQADSA-N 431.467 5.038 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 58884140 MKQQAMCGDSQPIA-OTZYPNAKSA-N 448.910 5.015 30 40 IKEB CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 97952916 RNKOBFACQDCZQT-HSZRJFAPSA-N 431.624 7.006 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 102643523 HWIHXMLIRVYVIF-QUURXOELSA-N 438.612 6.248 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cc(Br)ccc2O)cc1 104099748 ONAQJBBIODTJEW-XKZIYDEJSA-N 445.338 5.015 30 40 IKEB N#Cc1ccccc1CO/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408593052 ONCWXVNFLYZBIP-JJFYIABZSA-N 426.226 5.040 30 40 IKEB Cc1nc(N)c(C#N)c(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 408979589 NATBOKWWVCUBFP-UHFFFAOYSA-N 436.471 5.665 30 40 IKEB Sc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2cccc3ccccc23)cc1 409059491 QAOAUEGWUAXYQO-WPWMEQJKSA-N 436.540 5.848 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OS(=O)(=O)c1ccccc1 409121809 YBCOBOMAHLAVJK-UHFFFAOYSA-N 437.561 5.502 30 40 IKEB Clc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c(Cl)c1 409203595 YYYVIHWBEKYIKT-STBIYBPSSA-N 448.349 8.115 30 40 IKEB CC(C)/N=C1\S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1C(C)C 409209937 HCSXKYMSTMWFEX-SACJYJSVSA-N 435.568 5.918 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)cc(C)cc1C 409327652 VOQHUXLBCXOYPK-UHFFFAOYSA-N 426.358 5.309 30 40 IKEB O/N=C1\CCC=CCCC=CCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 1559624568 PNKVELXQIAPQHQ-WPCBNABESA-N 444.600 7.766 30 40 IKEB CN(C)c1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3F)c2C#N)cc1 1806643 FLCUCRXGCLWLML-UHFFFAOYSA-N 439.559 6.785 30 40 IKEB CCOc1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O 2053271 AJWQMYBKWREWSE-ZMOGYAJESA-N 437.293 6.112 30 40 IKEB CC(C)(C)c1ccc(C(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CCC2)cc1 3191369 HFQGCYLHKDEKNX-UHFFFAOYSA-N 425.506 5.806 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)O/N=C1\CCc2cc(OC)ccc21 8427260 HAWPHJBFQGNYHZ-ORIPQNMZSA-N 443.672 8.150 30 40 IKEB C(#Cc1ccccc1)C[N+]1(Cc2ccccc2)CCC(c2ccccc2)(c2ccccc2)CC1 9183455 JOWZGRNPBOZMLN-UHFFFAOYSA-N 442.626 6.835 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1C#N 9197102 GQCDBHAQALTRPB-UVHMKAGCSA-N 440.330 5.576 30 40 IKEB COc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br 9261327 RVNBOSOVKSPVIU-RIYZIHGNSA-N 441.709 5.142 30 40 IKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 9805702 NUHHEQKZWASZIM-UHFFFAOYSA-N 431.315 5.094 30 40 IKEB N#Cc1ccc(Cn2c(CN3CCCCC3)nc3scc(-c4cccs4)c3c2=O)cc1 12978122 ANGPVBZSOTZICL-UHFFFAOYSA-N 446.601 5.092 30 40 IKEB COc1cccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC 13567807 XGFSZHBIPSIMCU-SFHVURJKSA-N 439.939 5.521 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)c(C)c1 16034359 WKOKHHOWWHAYEC-SDHOMARFSA-N 435.552 5.649 30 40 IKEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 18249863 YDTXFOIGDQGKQP-OAQYLSRUSA-N 444.453 5.401 30 40 IKEB CCCCCCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 97998493 QWHWDDAPTMQSDM-UHFFFAOYSA-N 446.551 5.682 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C\c2ccc(Br)o2)sc2c1CCCC2 100056748 URTFQAHMCPIINO-JJFYIABZSA-N 433.327 5.256 30 40 IKEB Cc1c(Cl)cccc1NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 408574613 AIEXGLUMOYNMAP-UHFFFAOYSA-N 431.875 5.129 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)S2)cc1Cl 408739056 SEXUBCRNOIOXPB-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)cc1 408766877 TZXQTASSGFRQSZ-HAHDFKILSA-N 431.561 5.693 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 409074319 ZBLOKIKLIBDYFA-LPYMAVHISA-N 430.869 5.075 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 409211732 MULYQTVNGORIKP-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)S1 409243645 ZHZCXFIJOGSOQA-XDHOZWIPSA-N 438.896 5.239 30 40 IKEB C=C(C)C(=O)Oc1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 824746 UEZGRHMCGQHLPL-UHFFFAOYSA-N 445.085 5.582 30 40 IKEB C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc2c1=O 2660623 LJJVMIRYOUTYQJ-QFIPXVFZSA-N 445.519 5.194 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3Cl)n2)cc1 6157050 OKTJOXMXWJUBQP-UHFFFAOYSA-N 442.971 7.242 30 40 IKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1OC 9034290 KFKHHCFYGCYMBX-RWPZCVJISA-N 432.911 5.804 30 40 IKEB N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NCc2c(Cl)cccc2Cl)c1 9196867 WKFIPYGOESGFRR-KKMKTNMSSA-N 444.749 6.221 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 9334183 RQOJFBYTQYKVCY-FQEVSTJZSA-N 448.475 5.428 30 40 IKEB O=C1/C(=C/c2cccs2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 9419854 UZVVTXSERABMND-ULJHMMPZSA-N 439.492 6.701 30 40 IKEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3cn4ccccc4c3C#N)c2n1 14852658 NBSQMZXNNACZCV-UHFFFAOYSA-N 440.286 5.097 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)cc3)nc2c1 17096463 HGFJBZOXMMGFNC-NXYZXBHKSA-N 429.476 6.681 30 40 IKEB CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608484 HJPHNCLWTQHFJK-WAIKUNEKSA-N 446.576 5.237 30 40 IKEB COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1CSc1nc2ccccc2s1 33248401 ICKQDWXVBXZGBR-RGEXLXHISA-N 443.593 6.810 30 40 IKEB Cc1ccc(S(=O)(=O)/N=C2/C=C(Nc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1 100222880 LVZFJEWUZGATPC-QLYXXIJNSA-N 436.920 5.019 30 40 IKEB O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]23)cc1 100479385 LRZMINYCHKGPFT-HNDIIABASA-N 443.503 5.829 30 40 IKEB CCCCCCCCCCCC(=O)c1ccc(OCCCCCCCCCC)cc1O 100934565 YULXABYJSNOBCB-UHFFFAOYSA-N 432.689 9.015 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)cc2)cc1 198086381 OKDGHXJVDIGUBD-SVMUSQEWSA-N 448.994 7.614 30 40 IKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1CC 408848167 PUKHCFLKBPUGMH-UYLZVCPASA-N 435.376 5.885 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1C 408909390 CRRFCTHHZSIYRJ-YCJCGMCGSA-N 428.557 6.116 30 40 IKEB O=C(O)c1cccc(-c2ccc(/C=N\c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)c1 408915507 WOJGWNIXOJCGGQ-RHANQZHGSA-N 425.528 6.863 30 40 IKEB COc1cc(/C=N/c2cc(C)nn2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 409024027 HIXSWDOYJRTNHQ-JVWAILMASA-N 445.906 5.813 30 40 IKEB Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccccc1F 409031360 AUFAJWFOEZDULK-VYVUJPJFSA-N 449.345 5.851 30 40 IKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])c(O)cc2O)oc(-c2ccccc2)c1-c1ccccc1 409173086 JDIMMYSWDKWROD-VULFUBBASA-N 425.400 5.555 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409210507 KPHXCOZJNJYZCU-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CC(=O)O)ccc1OCCC 585263975 RYJBKCCWHBCCHV-XZCJXEOWSA-N 442.983 6.582 30 40 IKEB CCc1ccc(/C=C2\S/C(=N\c3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1 2073736 NJKRWTLERJDADA-DADJGAKYSA-N 440.612 7.291 30 40 IKEB C=CCSc1nc(SCC=C)c2c(-c3ccccc3)cc(-c3ccccc3)nc2n1 2181184 IDBBMPICMNSLAM-UHFFFAOYSA-N 427.598 6.915 30 40 IKEB CC1(C)CC(/N=C2\C=CC3=N[C@@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 2285876 VSDVPTFEBFDIBD-CLSFCJNSSA-N 432.656 6.065 30 40 IKEB C(=N/c1ccccc1-c1ccccc1/N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12 2842720 INKPLVJDBHSKHE-ZXHXELASSA-N 438.534 7.817 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 9019811 CELIVHCDEHZDQM-UIAIJNLVSA-N 431.561 5.483 30 40 IKEB COc1ccc(/C(C)=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 9096719 KFHQRAZTNBIVLE-LGUFXXKBSA-N 430.444 6.314 30 40 IKEB CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccccc2)cc1 9546510 ACPGPSJEZKUOPU-RBISFHTESA-N 433.555 6.575 30 40 IKEB CC(C)c1ccc(-c2c(C#N)c(SCC(=O)c3ccc(Cl)cc3)nc3c2CCC3)cc1 9968632 ZJNWAZPRZTWUGX-UHFFFAOYSA-N 447.003 6.861 30 40 IKEB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 12877205 CNASYUVHRPIVJI-UHFFFAOYSA-N 433.283 5.181 30 40 IKEB CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1C(C)C 13995510 NIBGSNZWNYQPNC-CQSZACIVSA-N 445.658 5.236 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(Oc3ccccc3)c1)n1ncnc1N2 18197982 URQJYBWTKMYXPV-BXKMTCNYSA-N 440.528 5.548 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)CCCc3nc(-c4ccccc4Cl)no3)c2C#N)C1 19816301 JEIZBYACTGUTQR-CYBMUJFWSA-N 440.956 5.409 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(C)cc1 19827930 PKAPHACYLSPAAN-CYFREDJKSA-N 435.951 5.573 30 40 IKEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3cc(C)ccc3C)S2(=O)=O)cc1 20558800 FMXTUEWLEWHGNM-BUVRLJJBSA-N 432.545 5.098 30 40 IKEB Clc1ccc(-c2nc(N/N=C\c3ccc(Br)cc3)c3ccccc3n2)cc1 33535242 KFLRDOVYKKZXMY-CFRMEGHHSA-N 437.728 6.159 30 40 IKEB CCCCc1ccc(/N=C/c2cc(Br)c(I)o2)cc1 59105075 TXTCDYOGYGSTDJ-VCHYOVAHSA-N 432.099 5.740 30 40 IKEB CCCCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc(Cl)cc1 77312030 BZMZOJFOPWKCKG-UHFFFAOYSA-N 445.109 8.307 30 40 IKEB in-vitro COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccccc1 83318322 ZBQZNXFQXPPZIZ-BUVRLJJBSA-N 444.556 5.783 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H]1SC2c3ccccc3C1c1ccccc12 102579517 QJNFXQRNAOKHEU-YMAMQOFZSA-N 442.346 6.805 30 40 IKEB CCN(CC)c1ccc(/N=c2\c(CCC(C)C)c(C)c(C#N)c3[nH]c4ccccc4n23)cc1 102594424 IAYJTHPNZWDPFO-KDJFERLWSA-N 439.607 6.268 30 40 IKEB CC(=O)Nc1c(C#N)s/c(=N/C(=N/c2ccccc2)c2ccccc2)n1-c1ccccc1 109505058 XXBJMNNLTGNAOV-UYOKXFJSSA-N 437.528 5.048 30 40 IKEB C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1 225057017 JUXLIIOUBJVIQH-UHFFFAOYSA-N 425.859 5.893 30 40 IKEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cccc(Br)c1 408749239 MACFMJJEUZICLW-VGOFMYFVSA-N 428.138 5.648 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)S2)cc1 408764903 NSAPTUQCEGEPIB-HMAPJEAMSA-N 446.528 5.496 30 40 IKEB N#Cc1ccccc1Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 408808269 DTNMKLVSVHKBHP-OYKKKHCWSA-N 435.508 5.802 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)S2)cc1 408963112 ACBGWOBMZLXGKH-HYARGMPZSA-N 434.492 5.305 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c1 408984463 HLFJNWLWKZDFLY-STZFKDTASA-N 436.621 6.496 30 40 IKEB COC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2NC(C)=O)cc1 409119882 QWZCNUJYVYKKHX-OYKKKHCWSA-N 449.488 5.242 30 40 IKEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409136612 RZTDSHOJGLANSJ-FYJGNVAPSA-N 448.906 5.160 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccccc3)cc2Br)c([N+](=O)[O-])c1 409207836 BATCIYMRNXVHSA-CIAFOILYSA-N 442.225 5.808 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409209717 HZKLOJQSXXVGIL-MZJWZYIUSA-N 436.939 6.042 30 40 IKEB CCOc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1Cl 409223864 GDHWIAMICHJWEH-NATJXCGNSA-N 439.339 6.155 30 40 IKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(I)c(C)c1 409233399 VVPWMIMDPRTCCI-HMAPJEAMSA-N 434.321 5.349 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(C)cc2)[C@H](C)O[C@@H]1c1cc(Cl)cc(OC)c1OCC(=O)O 2037875608 WJWVVMZOHNYTGX-XXPWESIGSA-N 444.955 5.946 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1OC 709642 MTEXHNHGKQLPMQ-MYUZEXMDSA-N 442.515 5.389 30 40 IKEB CCCCCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1634049 LBERVHLCXUMDOT-VZYPYRSISA-N 442.684 7.571 30 40 IKEB biogenic N#Cc1c(NC(=O)CO/N=C/c2cccs2)oc(-c2ccccc2)c1-c1ccccc1 2403557 QLEUAUCXSXUIOE-CVKSISIWSA-N 427.485 5.536 30 40 IKEB CCCCCCCCOc1ccc(C(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1 2556890 ILQVFGUXJOSAJH-UHFFFAOYSA-N 429.771 7.605 30 40 IKEB in-vitro CN(C)c1ccc(/C=N/Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 6144490 CKFUKTAKBTZJTA-WGOQTCKBSA-N 441.560 5.574 30 40 IKEB CCNc1ccc(Br)cc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1=O 8398048 PNJIZAARSJFIJX-VQHVLOKHSA-N 427.125 5.444 30 40 IKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCc1ccccc1-3 8453414 FQYJGRNSYZPIPH-UHFFFAOYSA-N 432.570 5.500 30 40 IKEB COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 8811368 RJRHXOYVUOXMNH-RPPGKUMJSA-N 449.765 6.358 30 40 IKEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 8990557 XVOMTHXRTYKHDW-UYOCIXKTSA-N 441.266 5.917 30 40 IKEB N#CCCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2ccccc21 9129342 RPCVKUSPGWWNAV-UHFFFAOYSA-N 438.862 5.353 30 40 IKEB COc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)cc1 12482478 CKWRJAISLCNMDH-CYYJNZCTSA-N 425.557 6.347 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 13943560 LWDUSPVLVHAFCZ-BOPFTXTBSA-N 436.493 5.338 30 40 IKEB C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccccc1OC 14069045 QSLUOPKVUWVMEP-UHFFFAOYSA-N 433.537 5.044 30 40 IKEB C#CCOc1ccc(OC)cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 14134497 IBLKOBMVQVGGSV-NDZAJKAJSA-N 432.479 6.256 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c([N+](=O)[O-])c1 14408863 NHGQQSLGQZLOGM-MFKUBSTISA-N 442.431 5.681 30 40 IKEB CC(C)N1C(=O)/C(=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 15228136 ZLXNDITXEAJULI-VLNLLYCGSA-N 445.588 5.749 30 40 IKEB Cc1cccc(/C=N\CC[C@H](S)CC[C@H](S)CC/N=C/c2cccc(C)c2O)c1O 18061838 BOFCHUFJJKIXGD-DSOPPQMYSA-N 444.666 5.410 30 40 IKEB CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 19848645 CUCLAAWMNHGELU-XMMPIXPASA-N 449.522 5.052 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\CCCN5CCCC5)[C@@]4(C)CC[C@@H]32)C1 31283093 GHSYWLKHFMASTM-BKNJDSQYSA-N 440.672 5.808 30 40 IKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl 32931744 YVFUJYZYYWZBDQ-QFIPXVFZSA-N 429.907 5.375 30 40 IKEB N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 44087840 BMCBOLGEZPLVAB-UHFFFAOYSA-N 428.266 6.481 30 40 IKEB CCCCCCCc1ccc(-c2ccc(C3CCC(CCCCCCC)CC3)cc2)nc1 98044967 HIGBVBHDIZLAHP-UHFFFAOYSA-N 433.724 9.896 30 40 IKEB CCCCCCCCCCCCCCCCOc1ccc(C2=NC[C@@H](C)S2)c(C)c1 104153817 YRSQGRWPEDPNOO-XMMPIXPASA-N 431.730 8.737 30 40 IKEB C=CCC(C(=O)Nc1ccc(OC(C)C)c2ccccc12)(c1ccccc1)c1ccccc1 225935810 NKOJJHNAZVYNMX-UHFFFAOYSA-N 435.567 7.128 30 40 IKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408852534 HDFAQUKPOGQSIC-YSURURNPSA-N 431.275 5.548 30 40 IKEB O=[N+]([O-])c1cccc(-c2csc(N/N=C/c3cccc(OCc4ccccc4)c3)n2)c1 409067242 CCXKISVNKVAQFH-ZVHZXABRSA-N 430.489 5.743 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)cc1Cl 409199477 CZYRITGSGKBIJS-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409208595 CZNVZABEPCYMEZ-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 409212694 PNKAENGCLMDYCM-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 409212917 RTSPYTFKBNRXTG-UFFVCSGVSA-N 445.582 6.713 30 40 IKEB Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Br)c(Cl)c4)ccc32)c1 409222674 CVVFACOXEVPUPP-ZMFRSBBQSA-N 441.731 6.995 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 409244739 IBBIAUDJKMNKQR-YBFXNURJSA-N 439.880 5.708 30 40 IKEB CSc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 409292049 FNKUHXDBGRWPCF-UHFFFAOYSA-N 439.462 5.686 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C(C)C)c1C 409328122 ZMOJEBLOLYBLMX-CQSZACIVSA-N 443.389 5.554 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 1531385755 XOAJHMVOKKJDGQ-JVWAILMASA-N 425.875 5.859 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccccc2)n1 2625621 VJIGPNQRBDVBKE-UHFFFAOYSA-N 438.553 5.598 30 40 IKEB Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)c1 3033997 RAOFBVWNXDINAV-OPEKNORGSA-N 449.304 6.353 30 40 IKEB N#C[C@@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 3366226 KRVHDTCPMVGTAD-NFBKMPQASA-N 440.528 5.007 30 40 IKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(/C)c4cccc([N+](=O)[O-])c4)c3c2C1 6462305 GIMBHBUJZDYZDL-IMVGLAPISA-N 437.569 5.977 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)sc1C 9280212 MGNDMWQWNBDPQE-SFHVURJKSA-N 442.899 5.335 30 40 IKEB C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)ccc2O1 9424262 UUMOJUBWCNJEIZ-FPTDNZKUSA-N 449.890 5.035 30 40 IKEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 13656296 IQRUMJSJJLPXDB-MYYYXRDXSA-N 442.511 5.723 30 40 IKEB C=CCn1c(SCc2nc3ccccc3n2C(F)F)nc2cc(Cl)ccc2c1=O 14901665 HDAIURVQBSTBQK-UHFFFAOYSA-N 432.883 5.273 30 40 IKEB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3sc(C)c(C)c3C#N)o2)cc1Cl 17096723 LYGIHMSPFALFLM-UHFFFAOYSA-N 429.954 5.585 30 40 IKEB C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC 19596579 GHKKZAQQDQAHDA-UHFFFAOYSA-N 447.575 5.071 30 40 IKEB Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1CSc1ccc(Cl)cc1 19841791 ZLCUXMIHXDCJTB-UHFFFAOYSA-N 426.010 6.397 30 40 IKEB CCOCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)S/C1=N\c1ccccc1 23410832 VFKLXYWMVBLTJV-PFMNSIPKSA-N 432.545 5.489 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc(C(C)C)cc3)sc2-c2ccc(OC)cc2)cc1 59464292 HKGTZAKFICCMGX-OGLMXYFKSA-N 442.584 7.368 30 40 IKEB CCN1/C(=C2/S/C(=N\C3CCCCC3)N(c3ccc(C)cc3)C2=O)Sc2ccccc21 100202049 SYXXEDPXRNHKLT-SLJQUXCSSA-N 449.645 6.565 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C)[C@@H](O)C[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118930127 AJBZENLMTKDAEK-HRKSBMEOSA-N 442.728 6.996 30 40 IKEB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCC#N)c(Cl)c3)S2)cc1 408772576 DBANQSOBOCNESX-OWMRDYPQSA-N 434.348 5.058 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)S/C1=N\c1ccccc1 408866628 HLDDIBDFEFZNDB-WTBXGWCDSA-N 449.620 6.453 30 40 IKEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408898714 MLDGYDWEJHGXEX-MTJSOVHGSA-N 442.456 5.150 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408936322 FOUWXNZTJCULHE-UWJMMERZSA-N 428.963 7.316 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)sc2c1CCCC2 409202810 SNBMUAGORWXHLA-CVKSISIWSA-N 436.577 5.970 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409212447 QCWZDNUAJHIYJW-KKMKTNMSSA-N 448.828 7.427 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2Cl)cc1Cl 409213762 TUBWYSREIAYCOT-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1O[C@@H](C)C(=O)O 409236516 SNWLRCYLQSTMKI-RAOLLXSISA-N 433.548 5.766 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2)cc1 654754 ZFLJUPDRWUJWEP-XMMPIXPASA-N 437.495 5.007 30 40 IKEB O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 2784327 WTKXJRCMPYACDY-UHFFFAOYSA-N 443.318 6.093 30 40 IKEB COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)c(OC)c1 8425715 TXLGTBYZHLTLKB-SDNWHVSQSA-N 425.484 5.417 30 40 IKEB CC(C)Cc1c(C#N)c(-c2ccccc2)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12 9554178 MSIAWMSYEKWZJI-UHFFFAOYSA-N 445.975 6.500 30 40 IKEB CCCOc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1OC 10059698 NNIBIDYEKKSCLP-AREMUKBSSA-N 429.541 6.351 30 40 IKEB CCc1ccc(/N=C2/S/C(=C/c3ccc(OC)c(Br)c3)C(=O)N2C)cc1 12354254 MKGALFJXTVPANF-LMDBJESCSA-N 431.355 5.254 30 40 IKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(C(=O)OCC)cc1 13129728 GUHHKQDFXNHGSZ-FLFQWRMESA-N 433.360 6.119 30 40 IKEB Cc1cc(OCCCC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)ccc1Cl 14903909 HMHPHVRPFVTEOC-UHFFFAOYSA-N 438.911 5.102 30 40 IKEB CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 31970728 ZXQYGBMAQZUVMI-DBIOVVLISA-N 449.856 6.544 30 40 IKEB in-vitro CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)/C=C/Nc3ccc(Cl)cc3)cc2)n1 91695692 NATDDPSYIFBJRV-VAWYXSNFSA-N 445.872 6.295 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOc2cccc(OC)c2)cc1 100284722 LYYLPKJZWHSBKW-UHFFFAOYSA-N 442.600 6.415 30 40 IKEB CCCCCCCCNC(=O)C[C@H]1S/C(=N\N=C(/C)c2ccc(Cl)cc2)N=C1O 100951502 JEIVXSOYTCQRJY-BFTFCADCSA-N 437.009 5.359 30 40 IKEB CCCCCCCCCCOP(OCCCCCCCCCC)Oc1ccccc1 104129595 NMAKPIATXQEXBT-UHFFFAOYSA-N 438.633 9.607 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)c(C)c1 223554046 GIOREIQBTMCKAQ-QHSFOXILSA-N 447.648 6.696 30 40 IKEB O=C(Oc1cccc(/C=N/c2ccccc2Cl)c1)c1sc2ccccc2c1Cl 408733423 IWRKZZBKDIBFSL-DHRITJCHSA-N 426.324 7.178 30 40 IKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1C 408780152 TYKPSWXXKJPDGR-ZMOGYAJESA-N 442.344 6.375 30 40 IKEB CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OCC)c2)S/C1=N\c1ccc(C)cc1 408909702 DQLPYKVZNNOJBI-XFKFKZEQSA-N 430.957 5.767 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 408915552 XPUNWIRNRXVMLF-YDZHTSKRSA-N 444.350 6.429 30 40 IKEB Fc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(N3CCOCC3)cc2)cc1 408930893 DMGLZXMYNAWWMS-NDZAJKAJSA-N 440.518 6.145 30 40 IKEB C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408934357 AHINBUXXTHOLGT-UBAGDLADSA-N 438.958 6.929 30 40 IKEB Cc1cccc(COc2ccc(/C=N\c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2)c1 409212623 RPQZLYZXEHDMAJ-ABGRQMIASA-N 442.628 7.409 30 40 IKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409313986 DODRUAWQWVJTDE-OYKKKHCWSA-N 445.540 5.659 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)cc3Cl)c2)cc1C 409381487 UQEMQYJLIBRFIM-ZMFRSBBQSA-N 427.331 6.378 30 40 IKEB Oc1c(I)cc(Br)cc1/C=N/c1ccc(Cl)cc1 861849 CZAUDFNZIIGYPX-REZTVBANSA-N 436.474 5.163 30 40 IKEB CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 2602888 UHCMZZHMTJRBAP-UHFFFAOYSA-N 441.999 6.054 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C 8396130 MRDUCHUHMFQMJK-BLEOTABNSA-N 426.585 7.235 30 40 IKEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccc(Cl)c4)nn32)c1 9731823 VVWNYNGQYQHAER-OAQYLSRUSA-N 434.927 5.265 30 40 IKEB N#Cc1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1NC(=O)c1ccccc1 9763726 RYDPMVYGWXEQEZ-UHFFFAOYSA-N 431.520 6.754 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl 9925840 NQRMWFSMERYDMX-AFUMVMLFSA-N 433.920 6.129 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@@H]2c1ccc(Cl)c(Cl)c1 12589211 VEYXKXNYKUYFHP-HXUWFJFHSA-N 439.346 5.910 30 40 IKEB COc1cc(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC 12756029 PSXOOMWRYCCWLC-UYRXBGFRSA-N 429.472 5.586 30 40 IKEB Oc1c2c3c(noc3c3ccccc13)C(NC1CCCCC1)=C/C2=N\c1ccc(Cl)cc1 13196185 YLHISJNLEAUPRF-VFCFBJKWSA-N 443.934 6.738 30 40 IKEB c1ccc([C@@H]2C/C(=N\N=C3\C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 13424710 YRRHIUDRTJZIPK-UKZQAQFASA-N 444.534 6.928 30 40 IKEB CCN(CC)C(=O)CSc1nc(-c2cccs2)cc(-c2ccc(OC)cc2)c1C#N 13739301 UYAFZBHUZXTPLW-UHFFFAOYSA-N 437.590 5.318 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)s1 18196065 LVCOHLVMHISJGW-UHFFFAOYSA-N 435.383 5.911 30 40 IKEB Cc1ccc(C)c(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 21721966 HMWDLWIUMFVQOQ-HHHXNRCGSA-N 441.531 5.515 30 40 IKEB COc1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)cc1 28182491 HWNUBSAILPTMGP-ZRGSRPPYSA-N 441.483 5.391 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(C)cc4)ccc3C1=O)cn2C 28182497 DMUGLWRDOVUJHV-ZRGSRPPYSA-N 425.484 5.691 30 40 IKEB COc1ccccc1/C=N/c1nc(-c2ccc(C)cc2C)c(-c2ccc([N+](=O)[O-])cc2)s1 59463789 YCXPBYRNJPWEMD-CVKSISIWSA-N 443.528 6.761 30 40 IKEB Cc1nn(-c2ncc(-c3ccccc3)s2)c(O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 100553762 XMOVENFEOFREAM-NRFANRHFSA-N 445.935 5.458 30 40 IKEB CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](CCCC(=O)O)C(=O)O 102994303 PDUXIYCRIXJPLF-GLCJEOIMSA-N 425.610 5.848 30 40 IKEB COC(=O)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 408542394 JAZXIAGYCMAECG-JFLMPSFJSA-N 426.472 5.013 30 40 IKEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 408906166 ASAJWEGZWIKOLR-OSAFKRHQSA-N 442.540 5.838 30 40 IKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(Br)cc1 409130458 HPFHTCGZBQRCKN-UHFFFAOYSA-N 438.365 6.377 30 40 IKEB Cc1ccc(N2C(=O)S/C(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)C2=O)cc1 409143662 DFCZJTKLKGUKMG-QFEZKATASA-N 449.535 6.111 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2F)c(Br)c1 409210198 IQJQKIZSTMINAK-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc12 409215343 ZIPFUSHRCVHPIA-OCSSWDANSA-N 443.974 7.838 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCN3CCCCC3)n2)cc1 862953 YVNVBCGUQRGVON-UHFFFAOYSA-N 429.589 5.874 30 40 IKEB Cc1ccc2nc(-c3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3Cl)oc2c1 3113799 ALHZOSKMWSDBTC-KIBLKLHPSA-N 431.706 7.220 30 40 IKEB COc1cc(/C=N/OCc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 3326076 DIAGWJXLLSOZGT-XODNFHPESA-N 449.856 6.497 30 40 IKEB COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)c2c[nH]c3ccccc23)c1OC 9129466 WOOGOCIEDKHGGR-NRFANRHFSA-N 442.475 5.209 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)SC1=S 12630259 SVGKAHYTYKIKCU-BKUYFWCQSA-N 438.574 5.147 30 40 IKEB COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3cccc(C)c3C)n1)C2=O 12821052 MBDMPPYGRDRUIW-UNOMPAQXSA-N 432.545 5.666 30 40 IKEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccoc1C 13020033 BDNPSYOEYREVBD-CYBMUJFWSA-N 436.459 5.171 30 40 IKEB C=CCn1c(SCc2csc(-c3ccccc3Cl)n2)nc2ccccc2c1=O 13148690 ZIWVAYRKSZOYCB-UHFFFAOYSA-N 425.966 5.652 30 40 IKEB N#Cc1ccc(CSc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[nH]2)cc1 15481539 BOYBLBQOIKLUIQ-UHFFFAOYSA-N 444.463 5.229 30 40 IKEB COc1ccc(NC(=O)c2c(/N=C\c3sccc3C)sc3c2CCC3)c(OC)c1 15945880 ODRMOBITXDUGII-FMCGGJTJSA-N 426.563 5.627 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(Br)ccc2O)cc1 16920308 ONAQJBBIODTJEW-LPYMAVHISA-N 445.338 5.015 30 40 IKEB CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 20602267 XLLVCEWUWMRFCJ-RRVZYFQFSA-N 443.635 6.570 30 40 IKEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1ccc2c(c1)OCO2 20891039 GRZLFDMBLFZHOV-UHFFFAOYSA-N 449.850 5.379 30 40 IKEB CCCCCC(=O)O[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C 22129827 QRBQVZBJIUCHCA-IZWFWXBOSA-N 428.613 5.826 30 40 IKEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1Cc1ccccc1 33731923 VOXDKDRLQLSEDO-RDRPBHBLSA-N 432.527 5.412 30 40 IKEB CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc21 38141728 FENPNARKWLPXNC-UHFFFAOYSA-N 437.604 5.729 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cn(Cc2ccccc2)c2ccccc12 59106002 ZNGGZFSGODQMSW-OEAKJJBVSA-N 427.504 5.720 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3C(=O)[C@@H]4C[C@](C)(C(C(=O)O)=CC4=O)[C@@H]3CC[C@@]21C 100236111 CPOBSJFACVUGSW-LDFPBUPPSA-N 428.613 5.697 30 40 IKEB CCOc1cc(/C=N\O)cc(I)c1OCc1cccc2ccccc12 226324884 IMKCZLOPBWOPQQ-UUYOSTAYSA-N 447.272 5.230 30 40 IKEB C#CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226327216 REBZIGDVKRMFTL-UHFFFAOYSA-N 444.108 5.134 30 40 IKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 408560072 ACSGGJISAFIASP-UHFFFAOYSA-N 441.428 6.015 30 40 IKEB CCn1c(N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)nc2ccccc21 408692508 OBVVLJWKBVYQGS-VULFUBBASA-N 439.346 6.388 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)S2)cc1 408755690 LUGZECOZTRKKJV-HMAPJEAMSA-N 445.544 5.246 30 40 IKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=C3/SC(=Nc4ccccc4C)NC3=O)c2c1 408773613 VVZGRCHOAFFAGI-HZHRSRAPSA-N 439.540 6.044 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Br)c(Cl)c2)c1C 408847935 OKGPATMQRMPIMH-DHRITJCHSA-N 429.789 7.131 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1C 409212717 PWSXJKBZBPKZAY-SRZZPIQSSA-N 425.164 6.368 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(C)c1 409215507 ACUDHZXAKCJQTB-ZMOGYAJESA-N 439.309 6.304 30 40 IKEB N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 409344662 HYGFLHVOKGCKLE-VIZOYTHASA-N 435.755 5.380 30 40 IKEB CC(C)Oc1cccc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c1 1531135962 FRMQQTXBWRPHAN-CFRMEGHHSA-N 442.357 5.126 30 40 IKEB C=C(C)[C]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1560407595 VFJJUYUBGIGMQY-QABYISBDSA-N 439.704 7.162 30 40 IKEB C(=N/Nc1nc2ccccc2s1)\c1cn(CCCOc2ccccc2)c2ccccc12 1839959 KHXFVHBMLFENTE-YZSQISJMSA-N 426.545 6.166 30 40 IKEB Cc1cc2nc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3O)oc2cc1C 3144689 NOGRRVMZQBZZHJ-YSURURNPSA-N 437.839 5.835 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCC#N 4118884 VRTXUZWVUALUEM-LSDFYIEESA-N 441.512 5.406 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 8820962 ASBWLTMDCBWAMJ-YBFXNURJSA-N 429.328 6.453 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8821008 ODRHXJHSGTZTFN-VCHYOVAHSA-N 449.746 6.798 30 40 IKEB COc1ccc(NC(=O)CCSc2nc(C(C)(C)C)cc(C(F)(F)F)c2C#N)cc1 8843589 MKLDEFJMCJRJMB-UHFFFAOYSA-N 437.487 5.399 30 40 IKEB C[N+]1=C(/C=N/c2c(O)cc(N3CCc4ccccc43)c3ccccc23)C(C)(C)c2ccccc21 9008837 XTARLDHTHIAOSF-UHFFFAOYSA-O 446.574 6.648 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccc(C)c(Cl)c1 9232232 AZYMSBYDXMKOCV-UHFFFAOYSA-N 447.874 5.731 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccccc1)N(C(=O)Nc1ccc(Cl)cc1)c1ccccc1N2 9264174 JPBLRQVNZTYZAI-RUZDIDTESA-N 443.934 6.552 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 9272627 QOSSRUJFXGWGNB-HXUWFJFHSA-N 434.835 5.031 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@@H]2c1sccc1C 12463225 MVOLPQKOUHRUSD-LEWJYISDSA-N 432.545 5.204 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)c1 13568639 YLNXEHYCYXBHDD-WGDIFIGCSA-N 427.504 5.078 30 40 IKEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1csc(C)c1CC 17095094 JJTGKPBNLHANOR-HNNXBMFYSA-N 426.611 5.033 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19832355 PDSNKZYSTISUEI-MHECFPHRSA-N 435.951 5.653 30 40 IKEB O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463672 GOARBTJLMPIARI-OEAKJJBVSA-N 430.445 6.044 30 40 IKEB CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 59958963 CWOMBLFQYGTNKC-UHFFFAOYSA-N 438.564 5.884 30 40 IKEB N#CCCn1cc(/C=C\C(=O)N2CCc3sccc3[C@H]2c2cccs2)c2ccccc21 96920718 KVDBIEOUNMXMCL-KWQGRVAKSA-N 443.597 5.865 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408667638 BWZWJDKLYCLOKQ-OTLGMJNYSA-N 436.596 5.858 30 40 IKEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc21 408720767 CWPPJFJDOKQCIS-AFUMVMLFSA-N 425.400 5.963 30 40 IKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 408913055 PHOXUSZBFSYJGM-AJGXWLHTSA-N 442.584 6.901 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccn1-c1cccc(C(F)(F)F)c1 408931835 QVGAJJUYWTZEOR-PDGQHHTCSA-N 447.869 6.041 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(O)cc3)c2C(=O)NCc2ccco2)C1 409080091 LDNKKIQOKUOBMS-MWQSPYHUSA-N 436.577 5.878 30 40 IKEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 409095254 AIKMYWLGFNXOIC-BHGWPJFGSA-N 447.278 5.330 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409200182 HHRRXYYRKQSOHG-DHRITJCHSA-N 445.302 6.630 30 40 IKEB CCOc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)cc1 409202604 SAFRLUQAGPLVJB-NLRVBDNBSA-N 431.513 5.757 30 40 IKEB COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 409213531 UGHNWZJGMVDELN-LGJNPRDNSA-N 443.330 6.079 30 40 IKEB CC[C@H](C)n1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409297449 WQPYAZWSKAFYEN-IBGZPJMESA-N 426.564 6.252 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](CCC)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875374 QCQFIOIIPRGLOE-ZBJYJBBSSA-N 446.946 6.549 30 40 IKEB COc1ccc(-c2c(C#N)c(SCc3csc(C)n3)nc3c2C(=O)CC(C)(C)C3)cc1 2502411 UTWSIFNTSMQSJF-UHFFFAOYSA-N 449.601 5.841 30 40 IKEB O=S(=O)(/N=C(/Nc1ccccc1Sc1ccccc1)c1ccccc1)c1ccccc1 6190041 KWXSYEXLIUYYFC-UHFFFAOYSA-N 444.581 6.085 30 40 IKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1cccc(Cl)c1 8781214 CDRLBDWYTUESJB-FDAWAROLSA-N 443.034 7.966 30 40 IKEB Cc1cc(Cl)ccc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C 8815836 MJMNLWXFIAYZNY-OVJLLXBISA-N 436.364 5.200 30 40 IKEB O=C1N/C(=N/c2ccc(SC(F)F)cc2)S[C@H]1Cc1ccc(Br)cc1 9090537 YGKPWCFLXKZJIP-AWEZNQCLSA-N 443.338 5.226 30 40 IKEB CN(C)c1ccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1 9129366 QXJIZEDAZFEIDY-NRFANRHFSA-N 442.559 5.121 30 40 IKEB biogenic C=CCn1c(SCc2nc3ccccc3s2)nc2scc(-c3ccccc3)c2c1=O 12566649 OKSGZACFBSMWLG-UHFFFAOYSA-N 447.610 6.213 30 40 IKEB CCOC(=O)[C@@H](Cc1ccc(F)cc1)C(=O)C/C=N/OCc1ccc(Cl)cc1Cl 12859055 MDFJEMXDADDZCP-IZHXIWSZSA-N 440.298 5.016 30 40 IKEB Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccc(O)cc2)c1 13286086 ZRGPRCMJWHCLBQ-QDJRPKQISA-N 445.569 5.879 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)c1 13568640 YLNXEHYCYXBHDD-QLXKLKPCSA-N 427.504 5.078 30 40 IKEB N#Cc1c(/N=C2\C(=O)c3ccccc3N2Cc2ccccc2Cl)sc2c1CCCC2 14162144 NHGZQCHJHBXWGU-SLEBQGDGSA-N 431.948 6.085 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@@H]2c1ccc(C)cc1 15024024 OZDRJIWWJNRYEC-URXFXBBRSA-N 426.516 5.143 30 40 IKEB O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 16451095 DWAQYJZMXFBFCW-PIDRKRQWSA-N 440.499 6.894 30 40 IKEB Cc1ccc(/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccc(OCC(C)C)cc2)cc1 17040794 LXNUEWGSFQGOHC-OCEACIFDSA-N 436.577 5.069 30 40 IKEB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 17099669 RYXYNCWWCQBGIR-CYBMUJFWSA-N 435.574 5.033 30 40 IKEB CCOC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1-c1ccccc1 20365487 DDYLKJXVDMNKCU-UHFFFAOYSA-N 426.303 5.716 30 40 IKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3F)nc2-c2ccc(Cl)cc2)cc1 59463717 RMWSNFRXKJFAGG-DHRITJCHSA-N 437.883 6.928 30 40 IKEB CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)=C(C)C1=O 64261573 LTVDFSLWFKLJDQ-IHMCZWCLSA-N 446.716 7.761 30 40 IKEB endogenous,in-man CCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 97954710 LNLFGIVGWOPUEE-QFIPXVFZSA-N 447.623 6.706 30 40 IKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 100145067 WUAROROZZYANGT-RLMNYEENSA-N 429.903 5.831 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 102804621 RBUCHGOSYOAKIV-YDJIHCHBSA-N 448.475 5.217 30 40 IKEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224627795 QUVRCSRNMBFFFQ-UHFFFAOYSA-N 440.270 5.402 30 40 IKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccc(Br)c3)C[C@H]12 253499676 OMJIZRMQBBHMOY-KLMFZDCXSA-N 441.453 7.444 30 40 IKEB biogenic Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N2C)cc1 408915627 ZBBVRJLUPPIUPX-GRUKXCDCSA-N 433.489 5.705 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)S2)cc1 408963351 NJRURHDATGOORP-WSDLNYQXSA-N 435.980 6.256 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 408968059 ZFENCXUSKSBHDP-FYJGNVAPSA-N 449.463 5.205 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Cl 409007320 PHQXWGQQQGRFCZ-AQTBWJFISA-N 432.328 5.284 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 409208803 CDARWVMLUQNJIX-ZMOGYAJESA-N 440.293 5.486 30 40 IKEB C#CCOc1c(Cl)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531383124 BUAIWJIOXDHLII-JFLMPSFJSA-N 448.309 5.265 30 40 IKEB COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1O 815828 MMOUQZPPZBBYDD-PPHZAIPVSA-N 426.516 5.689 30 40 IKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 861251 SSPBPHSKZQHDGD-CRYYWNKWSA-N 439.946 6.801 30 40 IKEB C=CCc1ccccc1OCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OC 2889920 XJUDQNQGUWDFFT-UHFFFAOYSA-N 441.936 5.601 30 40 IKEB CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1/C=C(\Cl)C(F)(F)F 4098968 ZXQYGBMAQZUVMI-CSQGAIINSA-N 449.856 6.544 30 40 IKEB in-man N#CC1(C#N)[C@H](c2ccccc2F)[C@@H](C(=O)c2ccccc2)N2c3ccc(F)cc3C=C[C@@H]21 8809664 XWOXPOUXBUXFEU-SDHSZQHLSA-N 437.449 5.249 30 40 IKEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 8984622 HMIZZPZCZKYDCR-HZHRSRAPSA-N 429.497 5.097 30 40 IKEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 9577482 GPQRKZJRYOKPNK-NDENLUEZSA-N 447.295 5.377 30 40 IKEB N#Cc1c(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)sc2c1CCC2 9730142 SWCCYIFPSJTTJM-UHFFFAOYSA-N 448.598 5.511 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(Cl)c(Cl)c1 14126701 WEZNGPYQBNFHMC-UHFFFAOYSA-N 434.392 6.259 30 40 IKEB CCn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)c2cc(C(F)(F)F)ccc21 22237063 GSTDGGGYEZAPQD-UHFFFAOYSA-N 446.322 5.450 30 40 IKEB COc1cc(OC)c(/C=N/Nc2nc(C)nc3sc(-c4ccccc4)cc23)c(OC)c1 33045724 FOYQYVHZELORQI-ZMOGYAJESA-N 434.521 5.139 30 40 IKEB CCCCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 97951940 GQBNMSOQTDPKHG-UHFFFAOYSA-N 427.683 7.379 30 40 IKEB CCCCCCCCCCCCCCCCNC[C@H](C)Oc1ccccc1[C@@H](C)CC 100023676 XWWTVMGSPSROHZ-SVBPBHIXSA-N 431.749 9.038 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N1O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)F 113824499 RDGJBZXVLOXHPC-RHDRJWHWSA-N 449.060 5.116 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N[C@H](C)c1ccccc1 408560221 FGPQHKYWYCFWDZ-LJQANCHMSA-N 442.588 5.178 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)c1 408591238 JCVCEJUSMZCBPN-UFFVCSGVSA-N 435.661 5.821 30 40 IKEB COc1ccc(OC)c(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1 408722121 FBXLDROTBOMUSZ-CVKSISIWSA-N 434.948 6.898 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 408818899 ZEYFUKULAFWTCK-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=Nc2cccc(Cl)c2C)NC1=O 409229870 VPSHTHWJBJASQJ-FYJGNVAPSA-N 441.984 5.539 30 40 IKEB C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(=O)C(CCCCC)=C(NCc2ccccc2)C1=O 1775937480 NTGIXJASMBWXRO-JTHBVZDNSA-N 433.592 6.123 30 40 IKEB O=C(Oc1ccccc1/C=N/c1cc([N+](=O)[O-])ccc1O)c1ccccc1Br 727519 FCOKMKWFLZBPJS-WSDLNYQXSA-N 441.237 5.033 30 40 IKEB Cc1cc(OCc2ccccc2)c(C(=O)[C@H]2O[C@@H]2c2csc(-c3ccccc3)n2)cc1C 945294 NFMZZNWEHXESRO-CLJLJLNGSA-N 441.552 6.329 30 40 IKEB O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1149633 FQTBATMWPPXGOH-CPRQQSDPSA-N 433.507 5.247 30 40 IKEB O=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 1310244 IXYNYRDZCVBPMT-WCTVFOPTSA-N 427.523 5.205 30 40 IKEB CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 4622683 JDOMHHJGEARESD-RUZDIDTESA-N 425.576 6.282 30 40 IKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1cccc([N+](=O)[O-])c1 8826419 BMPMYCNETFWDCE-HSZRJFAPSA-N 436.475 5.630 30 40 IKEB Oc1ccccc1-c1cc(N/N=C/c2ccc(Br)cc2)nc(-c2ccccc2)n1 8964374 QITJUXKXULGGRW-MFKUBSTISA-N 445.320 5.725 30 40 IKEB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccccc1 9526160 TZQHIAKUWMGMEL-SFHVURJKSA-N 440.528 5.254 30 40 IKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O 11865112 REVLGCJWUCABLD-JUUKDOEISA-N 436.463 5.629 30 40 IKEB biogenic C=CCn1c(SCc2cn3cccc(C)c3n2)nc2scc(-c3ccccc3)c2c1=O 12659287 QOUYCWWILNFISM-UHFFFAOYSA-N 444.585 5.559 30 40 IKEB O=C(/C=C\Nc1cc(Cl)ccc1C(=O)c1ccccc1)c1ccc(Br)cc1 16477007 NKXOXRMEJUIMEZ-SEYXRHQNSA-N 440.724 6.142 30 40 IKEB C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc(C)cc2C)S1(=O)=O 20063586 ANRCNMQLEHUAEV-UHFFFAOYSA-N 444.556 5.037 30 40 IKEB O=C(C1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O)c1ccc(Cl)cc1 32984402 DEQVUTZBCFGVJT-UHFFFAOYSA-N 448.302 5.782 30 40 IKEB Cn1/c(=N/N=C/C2=C(Sc3nc4ccccc4s3)CCCC2)sc2ccccc21 58158389 MUWSONHCBBJBFQ-IPMWIHLISA-N 436.631 6.356 30 40 IKEB CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](CCCC(=O)O)C(=O)O 102994305 PDUXIYCRIXJPLF-LCCNJJIFSA-N 425.610 5.848 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)oc(-c2ccccc2)c1-c1ccccc1 408919002 ROUHBNMALCSFGV-FDAWAROLSA-N 448.909 8.149 30 40 IKEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C(=O)N1CC 408929381 JEACGFOVKLXQCH-BBWXTVSKSA-N 430.957 5.240 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409035228 JHIWGNBPKHNTFW-JQAMDZJQSA-N 428.735 5.633 30 40 IKEB Cc1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1[N+](=O)[O-] 409109159 YSTUZYMNZVKZGL-AUEPDCJTSA-N 434.330 5.536 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OCC 409239438 MTKIAHUELOUXMV-NEHLPSIOSA-N 426.538 5.117 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccc(C)cc1 409318524 YNYDUYQSPKZNDK-UHFFFAOYSA-N 449.352 5.093 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C(F)(F)F 409330575 BOXWBTIYCLWPFV-UHFFFAOYSA-N 438.247 5.013 30 40 IKEB CCc1ccc2oc(-c3cc(/N=C/c4cc(Cc5ccccc5)ccc4O)ccc3O)nc2c1 2056874 IERBRKBZSYRANR-UXHLAJHPSA-N 448.522 6.810 30 40 IKEB Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc3)sc2c1 2292015 JGGZTQIFLJFANP-UHFFFAOYSA-N 436.352 6.043 30 40 IKEB Cc1c(C(=O)N(C)C)sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C#N 2761417 MGZREHMJUVVYGD-UHFFFAOYSA-N 440.528 5.098 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccccc2OC(=O)/C=C/c2ccc(Br)cc2)c1 3082037 UKPOBPHTUNYDDH-WWFUUPRNSA-N 434.333 6.435 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccccc3O)N(C3CCCCC3)C2=O)Sc2ccccc21 4108991 GBILBIULZNPRHV-ZMPCKTLKSA-N 437.590 5.699 30 40 IKEB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@@H]21 8454387 DVJCYWWUKJRSJW-PLWWPAAYSA-N 444.600 6.200 30 40 IKEB CCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 8820993 BSWPITRXWJDXFG-UDWIEESQSA-N 443.355 6.707 30 40 IKEB Oc1c(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)cc2c3c1CCCN3CCC2 9293579 NSBBHYXZLSLVGW-XODNFHPESA-N 441.560 5.209 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9763881 JYBMJHLXAWDXDQ-MRXNPFEDSA-N 431.300 5.233 30 40 IKEB CCC(=O)Oc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc1OC 13564282 IDZWMOJSYYQDJD-RUZDIDTESA-N 427.500 5.728 30 40 IKEB C=CCOc1ccc([C@H]2C3=C(CCCC3=O)Oc3c2c(C)nn3Cc2ccccc2)cc1 18196906 VVZJJOOVIGABQJ-RUZDIDTESA-N 426.516 5.336 30 40 IKEB Cc1ccccc1/N=C/c1ccc(OCc2nc(Cl)c3c4c(sc3n2)CCCC4)cc1 28219412 NTCRPPVGRIIBNT-MZJWZYIUSA-N 447.991 6.862 30 40 IKEB CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC 100300499 RCGZRZBMXNWTFH-UHFFFAOYSA-N 430.626 5.607 30 40 IKEB CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccc(N(CC)CC)cc1 102594428 XKASPANWLDZMPG-PBBVDAKRSA-N 425.580 6.022 30 40 IKEB O=C1C/C(=N/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21 103526817 PGUFQQJWSLCLJN-OLPWBVPVSA-N 429.932 5.751 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=O)N[C@H](CC(C)C)C(=O)O 104323241 CWFMFRSUSWVXKN-HSZRJFAPSA-N 426.686 7.046 30 40 IKEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1=O 108195055 CYHTUBGRSXTHRA-NXUSMQHESA-N 446.528 5.087 30 40 IKEB O=C(CO/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)Nc1ccccc1 108997579 ZUVKGUSTXPVKTE-NTFVMDSBSA-N 444.918 6.061 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H]([N+](=O)[O-])C[C@]4(C)[C@H]3CC[C@@]21C 123318212 CKRLTARSGDZFIB-RRFIWRICSA-N 431.661 6.932 30 40 IKEB CCCC[Sn](CCCC)(O/C(C)=C\C(C)=O)O/C(C)=C/C(C)=O 196005880 UVDDHYAAWVNATK-UZUXQKAQSA-L 431.161 5.048 30 40 IKEB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1C#N 408575032 VPHNIQWCYQJWMD-QHCPKHFHSA-N 441.487 5.426 30 40 IKEB CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408856215 BLQZIHGQWUIYFT-GTVFRFDVSA-N 434.605 6.658 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 408861200 PHANRYGBNKQGAF-CNJOZATKSA-N 445.415 7.176 30 40 IKEB COc1ccccc1/C=C1\S/C(=N/c2ccccc2)N(Cc2ccc(C(=O)O)cc2)C1=O 408918240 HWRQHMPGRTVFGZ-INCSMEFSSA-N 444.512 5.198 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c2C)cc1 409080289 MTUUQDIAZKSJOE-BLLKKSLCSA-N 429.633 7.237 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccccc1Cl 409184419 WSXGRWNPGIRPFY-UHFFFAOYSA-N 431.555 6.042 30 40 IKEB Cc1ccc(-n2c(C)cc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)c2C)nc1 409281480 DPGYFDVWNGLHPR-UHFFFAOYSA-N 439.563 5.437 30 40 IKEB CCCCc1ccc(CN2CCCC[C@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)s1 585293767 LZBWPZJJALWKKF-DEOSSOPVSA-N 446.624 5.927 30 40 IKEB Cc1ccc(C)c2c1[C@](O)(C#Cc1ccccc1)c1ccccc1[C@@]2(O)C#Cc1ccccc1 1564303 LIJDDZSESNXDAV-ACHIHNKUSA-N 440.542 5.192 30 40 IKEB C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3 2343830 CPNUWCVGVBRFDY-UHFFFAOYSA-N 430.598 6.092 30 40 IKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Cl)c4O)c3)nc2c1 3115586 SKOKUVMTGCGFHV-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br 3202780 VSMHVIQWDWYILH-HXUWFJFHSA-N 446.385 5.396 30 40 IKEB Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 3663605 VKCSIAQWASAEHJ-KBKYJPHKSA-N 426.221 7.261 30 40 IKEB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 6245205 CDNPMRKMPGZIGC-HXUWFJFHSA-N 449.579 6.715 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1c(Cl)cccc1Cl 6474352 ZSEXVDAIIKLEEF-UHFFFAOYSA-N 447.390 7.886 30 40 IKEB C(=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)\c1ccccc1 8383307 NJYHHTCFAHCIPJ-NXSLDUQTSA-N 428.579 7.315 30 40 IKEB Cc1cc(C)n(C(=O)CSc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2C#N)n1 8456413 AHGNYHMMLLICSS-UHFFFAOYSA-N 442.519 5.672 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 9273019 ZMVXXGLRNXCNKH-OAQYLSRUSA-N 448.862 5.340 30 40 IKEB C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nc2ccccc21 9414082 KQCDKNQGNPKNKA-UHFFFAOYSA-N 434.590 5.461 30 40 IKEB N#Cc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc1 9664817 RPVKRKSFFOSTGE-UHFFFAOYSA-N 436.298 5.526 30 40 IKEB COc1ccccc1NC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@@H](C)C2 9907625 GRBPHZITUAMPKJ-AKBIMGJMSA-N 447.604 5.950 30 40 IKEB O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCc3ccccc3F)ccc21 11869988 FMEXQUIIJMAMJY-NHDPSOOVSA-N 425.253 5.783 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 13080640 HWRVUKINBVTWFD-JOCHJYFZSA-N 441.358 5.908 30 40 IKEB C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)cc1Cl 19808848 ZMZKOUTWWJXFQD-OGLMXYFKSA-N 436.386 6.105 30 40 IKEB C=CCn1cnnc1Sc1nc(CSc2ccccc2)nc2sc(C)c(C)c12 32909011 LAXZBTGALVNSSU-UHFFFAOYSA-N 425.608 5.529 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 32984439 SSEWKPMTNKQCAO-UHFFFAOYSA-N 437.492 5.183 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccccc1 33424227 AHIQZHNJTIRWLG-CCEZHUSRSA-N 429.317 6.198 30 40 IKEB CCCCCCCCCn1c(O)c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 102931608 NQOFYLJEKKBTTK-UHFFFAOYSA-N 434.580 6.327 30 40 IKEB CCCCCCCCCCCCOC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 103005435 WHLBCNRCXJZXMF-BDHVOXNPSA-N 428.610 5.320 30 40 IKEB C(=C\c1ccccc1)\C=N/c1ccc(CCc2ccc(/N=C/C=C\c3ccccc3)cc2)cc1 104138595 VYZDRRDDEMEWKP-BTNHUZAESA-N 440.590 8.303 30 40 IKEB CCCCCCCCN(CCCCCCCC)C[C@H](O)c1ccc(Cl)cc1Cl 104321276 MXJISMJMVXUHIX-DEOSSOPVSA-N 430.504 8.050 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(OCC)c1OC 214092074 YAUQAQOBECRAQU-DEDYPNTBSA-N 443.952 5.712 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(F)cc1 408560189 CWACEHKVPMUIOF-UHFFFAOYSA-N 432.524 5.078 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N\C3=C[C@@H]4C(=O)c5ccccc5C(=O)[C@@H]4C=C3)c2C)cc1C 408741610 QVQREHMXYKQWFH-RKDJBPEUSA-N 434.539 5.895 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)c(C)c4)NC3=O)c2C)cc1 408753932 COEFFODABOAULD-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB COC(=O)c1ccc(Cl)c(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)c1 408858035 RJSBOTMMQRMANC-WYMPLXKRSA-N 445.744 6.047 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 408949314 AVAUPNFBMVRXCC-HYARGMPZSA-N 432.501 5.440 30 40 IKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(Cc3c(F)cccc3Cl)c12 409125318 DVZMQFAPPYSADK-UHFFFAOYSA-N 443.905 6.507 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C(C)C)cc1 409321913 HVVHSLWENNEPJY-HNNXBMFYSA-N 426.358 5.678 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 792611 TZQLJEPCNXUWFA-HFZDXXHNSA-N 442.559 5.319 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)c(C)c1 2053079 RMFGNKVKJRYHBB-FOKLQQMPSA-N 432.392 5.384 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cc(Cl)cc(Cl)c1O 6077110 NKHUQNISLANXKO-QHCPKHFHSA-N 438.354 7.162 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(Cl)cc1 6474348 DZGNLVWDRFZVFH-UHFFFAOYSA-N 440.955 6.916 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 8771630 DRUSWDWYHSPSDA-SFHVURJKSA-N 429.259 5.073 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc3ccccc23)cc1 9301876 ZTEXITHKHWRTMF-OAQYLSRUSA-N 441.512 5.091 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c2ccccc21 9423620 XHXLKYJBFVAGKL-MFKUBSTISA-N 437.495 6.113 30 40 IKEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9428052 BZGYMWPZTVCURX-IBGZPJMESA-N 428.271 5.365 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)S/C(=C\c2cccc(O)c2)C1=O 9659931 KDKZPOZVPZDJMA-SXGWCWSVSA-N 436.316 5.243 30 40 IKEB COc1cccc(CN2Cc3cc4cc(C)ccc4nc3S/C2=N\c2ccccc2)c1 13568294 FXVLJASZJBXDAB-RQZHXJHFSA-N 425.557 6.347 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1OC 13804447 SJBUWGVOAJXJMA-UHFFFAOYSA-N 436.581 5.168 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 19827747 RCFHNUKWLMEQBX-XMMPIXPASA-N 433.523 5.216 30 40 IKEB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 29888753 OZZUSHYEHHKYPT-ONDHQXCVSA-N 440.594 5.104 30 40 IKEB CCc1ccc(C(=O)C2=CN(c3cccc(OC)c3)c3ccc(F)cc3S2(=O)=O)cc1 32950859 NMMGCXYQGWJFMP-UHFFFAOYSA-N 437.492 5.046 30 40 IKEB CCc1ccc(C(=O)C2=C(C(F)(F)F)Nc3ncnn3[C@H]2c2cccc(Cl)c2)s1 36612232 MAMDDIANZMUKQA-HNNXBMFYSA-N 438.862 5.270 30 40 IKEB CCCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C\C(=O)O)cc1 38139326 ZBESASFHIWDSCJ-VHXPQNKSSA-N 428.657 8.314 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc(Br)cc3)sc2-c2ccccc2)cc1 59484246 UTOZXQYVIRPLCL-MFKUBSTISA-N 448.389 6.994 30 40 IKEB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)cc1 100074173 GCTCBFOUTJMSHD-MFKUBSTISA-N 437.517 5.231 30 40 IKEB COc1ccc(Br)c(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O 100504883 YWIDBSWEKJUWMH-YDZHTSKRSA-N 425.282 5.166 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1OC 107940146 IHWHZJUAUBVTKO-GEYIUBJWSA-N 444.984 6.034 30 40 IKEB O=C1C[C@H](c2ccco2)CC(O)=C1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Oc2ccccc21 226760000 RGXYSKFXYUNLBJ-WHEFHEQHSA-N 442.467 5.708 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 408594184 STPYFACUVPVMOS-OPEKNORGSA-N 449.265 6.170 30 40 IKEB N#Cc1ccccc1CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 408751051 VUJMBDSISWVPRI-HDICACEKSA-N 433.558 5.140 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccc(C(=O)O)cc4)N(C)C3=O)c2C)c1 408789422 QDEFGJSXONVEDX-AMQQTSRNSA-N 445.544 5.335 30 40 IKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2F)N1C1CCCCC1 408863256 LNOVJMZOCXXTMA-LUCNWFJPSA-N 449.378 7.069 30 40 IKEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(N2CCCCC2)cc1 408961631 UFQAKHQBMFWNSN-VDJURDQESA-N 446.620 5.511 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(I)cc2C)c1C 408968785 ZCFRFFPNEMIJBQ-OYKKKHCWSA-N 442.344 6.320 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)S/C1=N/c1ccccc1 409163522 SQFPQNTUMMRIMQ-KWZOLKRCSA-N 432.501 5.659 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 409200764 JDYIXRCPJUBYSW-JFLMPSFJSA-N 430.891 7.039 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1C(C)C 409212335 QAJRYMHWIPIYPZ-SLHJDRLVSA-N 437.055 6.642 30 40 IKEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 409218369 UQTWPNABMUINLD-UFFVCSGVSA-N 441.550 5.936 30 40 IKEB CC(C)(CCC#N)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1 585091834 WXAKVOSZBSDUFO-UHFFFAOYSA-N 440.543 5.809 30 40 IKEB CCCCCCCCCOC(=O)c1ccc(-c2ncc(CCCCCCCC)cn2)cc1 604971563 CPPVPVMFMULQAK-UHFFFAOYSA-N 438.656 7.954 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(C)c2ccccc12 1531325235 AVEJPJBVELQODC-REMUQMNCSA-N 437.341 5.046 30 40 IKEB CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)c1 1434810 UEJVMKHATLIVQX-MMTVBGGISA-N 440.543 6.073 30 40 IKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)c(OC)cc2OC)C3=O)cc1 2107037 DYSUGTCDMNCRCS-ZMFRSBBQSA-N 444.483 5.551 30 40 IKEB biogenic CCCCCCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccccc2)c1C#N 3146475 ITPODQNLMWVGGJ-UHFFFAOYSA-N 429.589 6.853 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 3664712 MVTQGERUFVZPPG-XLNRJJMWSA-N 436.548 6.424 30 40 IKEB biogenic O=S(=O)(/N=C(/Nc1nc(-c2ccccc2)cs1)c1ccccc1)c1ccc(F)cc1 6343419 QKLHCVAOMOLMPS-UHFFFAOYSA-N 437.521 5.197 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 9076104 ATNYRXDKWFKKHU-BRJLIKDPSA-N 435.321 6.639 30 40 IKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 10118739 FDAVTXDFPUUMNE-UVHMKAGCSA-N 449.765 6.358 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 13567809 ZZHAWMLKVWOEEB-IBGZPJMESA-N 439.939 5.521 30 40 IKEB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C(C)C)cc3)c2C#N)C1 13989225 CKSASDPGDWBESL-VQTJNVASSA-N 436.577 6.104 30 40 IKEB C=CCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)N(C(C)=O)c1ccccc1-2 15016047 PMQUCLBJRMCWRZ-HXUWFJFHSA-N 442.903 5.053 30 40 IKEB N#Cc1c(SCc2ccccc2)nsc1N/N=C/c1ccc(Br)cc1 15163208 QJUZDAWSKJKCGP-SRZZPIQSSA-N 429.368 5.516 30 40 IKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c1 15945585 DDSPIASNYTWIRP-WKTMJKCCSA-N 446.616 6.911 30 40 IKEB O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1Br)c1ccccc1 16476809 HMPZXTRHNDTMJA-FSJBWODESA-N 429.701 5.811 30 40 IKEB N#Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)cc1 16789283 DBXGZACBMRXUIV-UHFFFAOYSA-N 436.924 5.316 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 16944382 KRKPXPKHYCRIDG-HSZRJFAPSA-N 426.516 5.470 30 40 IKEB CCOc1cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)ccc1OCc1ccccc1 100384191 SWQJGMCNSVMQKQ-VUTHCHCSSA-N 448.994 7.059 30 40 IKEB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S/C1=N/c1ccccc1 101506592 DVEURUIBUFCIJC-GOESLVMASA-N 425.513 5.371 30 40 IKEB COc1ccc(C(=O)N(/C(=N/c2ccc(C)cc2)c2ccccc2)c2ccc(C)cc2)cc1 101548244 FVSINBQYRYPHFY-SJCQXOIGSA-N 434.539 6.737 30 40 IKEB CC(C)(C)c1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 102927420 BDMQWHROPODKCK-WOOAAIBNSA-N 436.508 5.206 30 40 IKEB N#Cc1ccc(COc2ccccc2/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 408633911 NGQWTCJRYMQXKL-XKZIYDEJSA-N 427.485 5.231 30 40 IKEB CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N\c1cc(C)ccc1C 408905671 CEFRTIIQTNGZTF-GIEPNVOJSA-N 436.580 7.234 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C)cc1 408911042 IRSJXQTWTNGHTK-KWLUMCIGSA-N 436.621 6.838 30 40 IKEB CCOc1cc(Cl)c(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OCC 408966189 NLYWOUOINTYOBI-YBFXNURJSA-N 432.929 5.038 30 40 IKEB Brc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1 408974218 DJKMISIQQDDPEQ-FOKLQQMPSA-N 434.249 6.256 30 40 IKEB CCCCCCCCNC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408981129 ZVOSTOGPSHHWLY-UHFFFAOYSA-N 448.592 6.797 30 40 IKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(SC)cc3)sc1C2 409046212 JOVYACZKKGCKSY-UFFVCSGVSA-N 431.380 5.958 30 40 IKEB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/Nc1ccc(C(F)(F)F)cn1 409107249 RKOMWKPXDQYOOO-IBBHUPRXSA-N 446.432 6.150 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)cc1 409165906 ANKSKGOHJJFNFD-QRVIBDJDSA-N 427.529 5.511 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OCC)cc1 409217003 NAXMEXFISDUTGD-CIAFOILYSA-N 439.147 5.926 30 40 IKEB COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 1409135 JQTIPGOKXZTPEI-QYBDOPJKSA-N 430.935 6.328 30 40 IKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 2096584 DZUAXGVASOYPKK-STBIYBPSSA-N 438.914 7.195 30 40 IKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C 2326708 DOFNJJKQQPLEQV-UHFFFAOYSA-N 426.611 5.145 30 40 IKEB CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(-c2ccc(C(C)(C)C)cc2)c1C#N 6089428 DMYMRBNDCHJZLP-SFHVURJKSA-N 444.600 6.628 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SC/C=C/c1ccccc1 8809566 RFQOJYVERUCWIM-XBXARRHUSA-N 445.012 7.808 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccoc1C 9056305 ZAYXJLNNWRFYMX-UHFFFAOYSA-N 446.532 5.556 30 40 IKEB CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 9065344 DZXMMRFUGSBWQO-JOCHJYFZSA-N 448.906 5.305 30 40 IKEB Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9482653 YDEVQCXZQIFRED-QKKBWIMNSA-N 441.314 5.954 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C#N)cc2)NC(=O)N1c1ccc(C)cc1 9516922 UBMGMVHAONPSAE-VWLOTQADSA-N 436.515 5.359 30 40 IKEB C=CC/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCC(C(C)(C)C)CC1 12312071 ONCDMQSWPHOEBQ-ADHQSOCISA-N 438.597 5.075 30 40 IKEB O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1)c1ccc(Cl)cc1Cl 12353270 XNPAWQZQAVMGLV-FOKLQQMPSA-N 430.247 5.610 30 40 IKEB C(=N/N(Cc1ccccc1)c1ccccc1)\c1cn(-c2cccs2)nc1-c1ccccc1 12564105 VHTICJKTYACKOQ-TURZUDJPSA-N 434.568 6.642 30 40 IKEB COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc2c(c1)OCO2 13568665 FRACDMYJQALVPS-CRYYWNKWSA-N 440.499 5.403 30 40 IKEB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C#N)c3)c12 14066447 JKOJCNZNYVYKHS-UHFFFAOYSA-N 429.483 5.520 30 40 IKEB COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c1O 17097021 KDRHSIVWJBNKAY-NEMYEJEXSA-N 430.529 5.248 30 40 IKEB CCCCCCCNC(=O)c1c(F)c(F)c(C(=O)NCCCCCCC)c(F)c1F 33354075 UBCOQPPMRIVFSJ-UHFFFAOYSA-N 432.502 5.643 30 40 IKEB CCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 44418163 QYVZEPLDLPYECM-XUTLUUPISA-N 432.645 7.916 30 40 IKEB biogenic,in-vitro N=C1S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)[C@H]1c1nccs1 136255310 LCPNNUXGRMQEKF-VGQPPMBJSA-N 426.950 5.793 30 40 IKEB Cc1cccc(OCc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)c1 223685144 MVFCBDPFKSMFNU-UHFFFAOYSA-N 431.348 5.417 30 40 IKEB O=C1C(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2N2CCCCC2)C(=O)c2ccccc21 227149338 CVMXAJCPRBRGNQ-UHFFFAOYSA-N 445.519 5.038 30 40 IKEB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N 408542488 JSQHJSJQEKYQGX-BQYQJAHWSA-N 425.828 5.174 30 40 IKEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(O)c1 408822510 MZUDGYWKKZXPJR-HXNPFYCNSA-N 443.572 6.047 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(Cl)cc1 408960476 LZJBUWNREAJJNS-XOLKAKTPSA-N 425.985 5.873 30 40 IKEB Cc1cc2c(cc1/C=N/c1sc3c(c1C(=O)Nc1ccccc1)CCCCCC3)OCO2 409019296 WIESSZZGQOKWTO-JFLMPSFJSA-N 446.572 6.447 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 409203781 XYNDIDILFHNUHC-DHRITJCHSA-N 428.301 6.235 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409208677 DOKVWYUQOIRGMY-CVKSISIWSA-N 438.911 6.539 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1C 409315068 MYJMLFQNHOQTOO-UHFFFAOYSA-N 449.352 5.093 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(SC)cc1 1531342936 RGZVZKKEDTZTMT-AEOXGOBCSA-N 430.371 5.277 30 40 IKEB CCCCN(CCCC)CN1C(=O)/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21 3028973 IDAINOIWKMGRKQ-SLMZUGIISA-N 431.502 6.033 30 40 IKEB Fc1ccccc1Cn1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c2ccccc21 8996075 NOIMLAWFWDPORK-UVHMKAGCSA-N 435.466 5.094 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 9071249 GSQMNIJJUNRINL-OAQYLSRUSA-N 448.544 5.250 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 9246825 PYYUUKYQCKCTOA-QUGAMOGWSA-N 432.926 6.767 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 9496908 IKSUGMGZGVCFNK-UHFFFAOYSA-N 436.581 5.206 30 40 IKEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 9585957 UTBKBMBWSUQOAN-UHFFFAOYSA-N 445.935 5.190 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(CC)cc3)NC2=O)c(Br)cc1O 14008777 PIIJOFBVKLSILU-VCHYOVAHSA-N 447.354 5.007 30 40 IKEB CCOc1cc(/C=C2/C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 20033512 OHUXDFROVCRHAM-KGENOOAVSA-N 433.891 5.662 30 40 IKEB CCCC/N=C1\S/C(=C/c2cccc(OCc3ccc(C)cc3)c2)C(=O)N1CCCC 35041949 ASGLHUZLUUMKII-KWPJTZOTSA-N 436.621 6.447 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-] 59239525 URFFUAIDUUGGOW-GOSISDBHSA-N 440.286 6.118 30 40 IKEB Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccc2c(c1)OCO2 71924247 JEEMAYIDKRNHOD-WUXMJOGZSA-N 427.887 6.488 30 40 IKEB CCOc1cc(/C=C2/C(=O)ON=C2c2ccccc2)ccc1OC(=O)c1ccccc1Cl 83292620 UZWZLUFZZFXZOG-XMHGGMMESA-N 447.874 5.302 30 40 IKEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2cccc(C)c2)ccc1O 102160504 BFHOGWNXRVFFCO-XMMPIXPASA-N 443.547 5.404 30 40 IKEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102607556 KKJNQEZOLFNTKR-HOGKFDNTSA-N 435.907 5.678 30 40 IKEB CCOC(=O)Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@H]2CC3(C)C)cc1 253572016 PRFDXCCEZWDLIP-JCDMFWDFSA-N 449.551 5.466 30 40 IKEB CCCCOc1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408722259 FXTOLEVWNIBDIK-LCUIJRPUSA-N 432.476 5.578 30 40 IKEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 408918156 GYKUMPZEKRNDKA-KBKYJPHKSA-N 429.303 6.413 30 40 IKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409120594 RBPVFZZEVANHIW-UHFFFAOYSA-N 432.520 6.085 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br 409136948 VQIWIHKYUPKIMP-LDADJPATSA-N 436.371 5.631 30 40 IKEB CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)S/C1=N/c1ccccc1 409154985 LBJZKEDSMZNZDG-GNPNYKALSA-N 446.528 5.905 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1 409190462 OAIRQCDKBYRAAM-CIAFOILYSA-N 433.920 5.860 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409209218 HVASGFOBERAUKW-BUVRLJJBSA-N 445.924 5.266 30 40 IKEB C=CCOc1ccc2ccccc2c1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409285314 NGPHOCLCOAUTIV-UHFFFAOYSA-N 437.543 6.044 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)cc(C)c1O 409374210 ZWBJLKZWXOKESO-XMIRZNSJSA-N 428.557 5.856 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1cccs1)C2 717698 UZUXXFJQRCTHNQ-HJPURHCSSA-N 437.561 5.070 30 40 IKEB Cc1cc(OCc2ccccc2)c(C(=O)[C@H]2O[C@H]2c2csc(-c3ccccc3)n2)cc1C 945296 NFMZZNWEHXESRO-IZZNHLLZSA-N 441.552 6.329 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 2183416 BXAJRIBHNNEOQK-UHFFFAOYSA-N 442.650 6.397 30 40 IKEB O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2)ccc1Sc1ccc(Cl)cc1 3028691 CICSNIZXQQMKOT-FSJBWODESA-N 433.316 6.604 30 40 IKEB CC(C)[N+](C)(CC#C[C@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 4029544 XMLJZMMZIZSGTD-ZAGJEJMOSA-N 432.628 6.143 30 40 IKEB CN1/C(=C2/S/C(=N\CCc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 4108365 XXKXHEMQEIRIBP-SLJQUXCSSA-N 449.645 5.904 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 6137170 VYESIIKCKJBLMG-HSZRJFAPSA-N 434.511 5.077 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1 6474169 FMMWUBCKMNMOMA-UHFFFAOYSA-N 447.390 7.886 30 40 IKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccc(Br)cc1 8733535 XWVUWUDKZMGDQB-UHFFFAOYSA-N 435.268 6.553 30 40 IKEB N#Cc1cccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)c1 8811992 YQQBZZOJBHMOIQ-OCSSWDANSA-N 425.919 6.068 30 40 IKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)c(C)c2)CC1=O 9191676 XHFWNDUQKMPAKG-LJQANCHMSA-N 437.971 5.359 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccc(F)cc1 9464374 BVFYSNMVLUHIGE-UHFFFAOYSA-N 438.347 5.069 30 40 IKEB COc1cc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1O 12865713 PKYMNHSMEASGPH-RMKNXTFCSA-N 425.824 5.651 30 40 IKEB N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]31N=2 13142636 OTRFRNNIWWWYJW-DIIXFEDBSA-N 440.550 5.049 30 40 IKEB Cc1cc(C)c(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c(C)c1 13756747 LMNYAEDMGOPRQL-GQCRFCPSSA-N 443.594 7.718 30 40 IKEB COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(O)c([N+](=O)[O-])c1 14408555 KXRPXGYAKUVTNX-JFLMPSFJSA-N 439.427 5.858 30 40 IKEB C/C(=N\N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1O 15276977 PSLBUIMSVOPXPB-ZUICHYAESA-N 426.303 5.690 30 40 IKEB Cc1cc(C)c(NC(=O)CSc2nc(O)c(C#N)c(-c3ccc(Cl)cc3)n2)c(C)c1 15859816 QDKCQRNLGUSMQT-UHFFFAOYSA-N 438.940 5.030 30 40 IKEB Cc1ccc(/N=C(\c2ccccc2)[C@@H]2SC(=N)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 16291572 BJWFNANIWVLDLW-JSVGDTRTSA-N 447.607 7.414 30 40 IKEB COc1ccc(CN/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1OC 20196635 CDSXDXLMXMJVHX-MUFRIFMGSA-N 447.966 5.792 30 40 IKEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 20265514 SZBKTYJOIYIFHI-XMMPIXPASA-N 448.607 5.213 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 21658684 IEMLITWKPKFISU-NRFANRHFSA-N 434.337 5.508 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3Cl)c2c1 28182404 PDZNLGYRDURNRA-UHFFFAOYSA-N 447.918 6.969 30 40 IKEB biogenic Cc1ccc(C(=O)C2=CN(c3ccc(Cl)c(Cl)c3)c3ccccc3S2(=O)=O)cc1 32984171 NOKFKNYZFFPBKR-UHFFFAOYSA-N 444.339 5.952 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)NC[C@@H]1CCCO1 59474855 SQCPJPTXVSHIRB-HPMPDSITSA-N 445.997 5.088 30 40 IKEB CCCCCCCCC[C@@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 101029640 MEFGTSQMHVIFOC-DSNAQWLUSA-N 435.696 7.996 30 40 IKEB C/C(=C\C(=O)c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1 104248674 QBNDLZPWGPIVIC-QZQOTICOSA-N 438.617 8.275 30 40 IKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(OCC)c(OCC)c1 104380359 KWOGBSJMMJZMCI-LHLOQNFPSA-N 435.678 6.203 30 40 IKEB Cc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 260572535 WTFKCCHNRILFFT-ANEAZYCLSA-N 447.648 6.729 30 40 IKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(I)cc1 408785504 ZTNSSWACRASYFA-ZVHZXABRSA-N 442.344 6.573 30 40 IKEB CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c2ccccc21 408811942 NDJVYOPWRGUZGA-XKZIYDEJSA-N 447.560 5.021 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 408953481 PXCVEIIAORVFLA-HZHRSRAPSA-N 445.588 6.001 30 40 IKEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 409134624 SOACKSFBMZCAET-WQRHYEAKSA-N 443.311 5.654 30 40 IKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2ccco2)nc1SCC(=O)Oc1ccccc1 756966 KIJKYTUEAWOYOQ-UHFFFAOYSA-N 430.460 5.717 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC 2030976 QXWKCICSFIXFJP-HSZRJFAPSA-N 441.568 5.041 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1OC 2099362 WGQLEMLRIHKREA-UUYOSTAYSA-N 436.847 5.193 30 40 IKEB biogenic COc1ccc(/C=N/CC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC 4026940 ODWKEQAUZHUXKA-NULVTVOTSA-N 425.569 5.510 30 40 IKEB biogenic CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCCC 6162098 VKDJRACXIQOLNS-XMMPIXPASA-N 439.596 5.813 30 40 IKEB CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)cc2c1 8446190 RYGBANNBHNWRMH-UHFFFAOYSA-N 448.573 5.048 30 40 IKEB Cc1ccccc1N1C2=C(C(=O)CC(C)(C)C2)[C@H](c2ccccc2)C2=C1c1ccccc1C2=O 8781190 SUIWLRBPDURENZ-SANMLTNESA-N 445.562 6.850 30 40 IKEB Cc1ccc(NC(=S)N/N=C/c2cn(CCCOc3ccccc3)c3ccccc23)cc1 8916873 PGQYILAPUPAZOQ-OVVQPSECSA-N 442.588 5.739 30 40 IKEB O=C(O)CSC1=N/C(=N/c2ccc(Cl)cc2)C2(CCCCC2)N1c1ccccc1 9434768 AGOPPKAXYNTOHR-HIXSDJFHSA-N 427.957 5.767 30 40 IKEB COc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1 12497024 TZRSXQYFWJBVNN-GXDHUFHOSA-N 443.930 6.777 30 40 IKEB C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1ccc(C)c(C)c1 13120697 IVJIROOSUJJIMZ-QGZVFWFLSA-N 425.529 5.163 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1C 14081888 KPROXCQLRSIDMD-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB COc1ccc(-c2c[n+](CC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)c3n2CCCCC3)cc1 16029446 QPNKEIUKHMGPED-QUURXOELSA-N 439.620 5.182 30 40 IKEB biogenic CCc1ccc(/C=C2/S/C(=N\c3cccc4ccccc34)N(Cc3ccccc3)C2=O)cc1 33702261 NHMYWLKXCPQTMO-AGPWXHRDSA-N 448.591 7.206 30 40 IKEB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)c(C)c1 33736504 WKOKHHOWWHAYEC-DSITVLBTSA-N 435.552 5.649 30 40 IKEB COc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(OC)c1 33896862 YXYBNAMSWOQJQG-GATIEOLUSA-N 436.821 5.279 30 40 IKEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)(C)C)cc1 35164402 XVCZZTNVZCSBSX-XMMPIXPASA-N 442.644 5.561 30 40 IKEB COC(=O)c1cccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 59503595 PVDAMNVRAOQMAP-VULFUBBASA-N 449.915 6.311 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 102582594 DRKMWZBPSIYESD-JBCNATCCSA-N 448.862 5.183 30 40 IKEB CC[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nnc(C)s1 215748847 VPQRYGJCBYYUQF-XHADFYDMSA-N 431.974 5.155 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc(OC)c(OC)c3)sc2-c2ccccc2)cc1 408722610 MDADOUSVVGOHKH-WGOQTCKBSA-N 430.529 6.254 30 40 IKEB CCCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OCC)c2)S/C1=N\c1ccc(C)cc1 408909691 DPDOUUFTXQTTIA-SQJAOTTLSA-N 444.984 6.157 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(C)cc4)N(C)C3=O)o2)cc1 408914791 WFEXKQYTHQJKJA-JUMVDPBBSA-N 446.528 5.666 30 40 IKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccc(Cl)cc1Cl 409114489 HRQVABPEGGEXTL-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1C 409215438 YTMJJYBBHSINIA-LQKURTRISA-N 444.372 7.549 30 40 IKEB COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1O 815827 MMOUQZPPZBBYDD-XHCCPWGMSA-N 426.516 5.689 30 40 IKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC 883404 RVKAPMSAJHNMDA-IVCQMTBJSA-N 432.545 5.745 30 40 IKEB CC(=O)/N=C1\NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1 968958 JOTJXTUQXLFDJK-UWVJOHFNSA-N 444.343 5.103 30 40 IKEB N#Cc1c(N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2 2071607 OJELFPXQWGAYBY-QGZVFWFLSA-N 428.772 5.037 30 40 IKEB O=C(Oc1cccc(/C=N/c2ccc(Cl)cc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3084602 UHOGWYKLSXUNRB-WSDLNYQXSA-N 425.784 5.126 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2sc(C)c(C)c2c1=O 3361896 QJLQWBYJWCRMEF-UHFFFAOYSA-N 441.622 5.116 30 40 IKEB C=CCc1cc(-c2cc(CC=C)c(O)c(CN(CC)CC)c2)cc(CN(CC)CC)c1O 4215006 DQNIWUUHJSXGHW-UHFFFAOYSA-N 436.640 5.905 30 40 IKEB in-man CN(C)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 8821194 NNZUUAZMKFNZHU-SXGWCWSVSA-N 425.863 5.316 30 40 IKEB CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl 9678672 NAUAFWKKQMTFAE-HSZRJFAPSA-N 429.347 6.300 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(-c2ccccc2)cc1 13306153 CVPFOUAZYJXPCJ-SLJQUXCSSA-N 443.597 6.348 30 40 IKEB C=CCOc1c(Br)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1OCC 13371344 AVNHCWWXQPZKDM-WQRHYEAKSA-N 441.321 5.702 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1 13408964 NVFBLCBUSIGTCH-NMLNOWKBSA-N 444.637 5.681 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCc1ccccc1 19314437 KYYQNEMVKYSELL-DEOSSOPVSA-N 431.532 5.043 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc2c1 19648626 ZEJJHWKGOBTBNJ-IXORVSQSSA-N 449.348 7.227 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 21962157 BVTSJTCYEPEGNC-UHFFFAOYSA-N 430.533 5.024 30 40 IKEB N#Cc1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCN(Cc1ccccc1)C2 23153750 AHBYUMUPRZIPJH-UHFFFAOYSA-N 442.371 5.737 30 40 IKEB O=C(O)c1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 59500720 BTUBUELYQPZEBA-DHRITJCHSA-N 435.888 6.223 30 40 IKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59678826 LLOKIBRPCLRTLL-LQKURTRISA-N 444.531 6.289 30 40 IKEB Fc1ccc(Br)cc1/C=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl 66088698 YUQSGCSWISKEAA-GEVRCRHISA-N 430.026 6.360 30 40 IKEB CCCCCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 102568308 DSLNGGIOAHRCBV-UHFFFAOYSA-N 430.419 7.786 30 40 IKEB COc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 109042275 RXMPNQIIXQAGHK-ZMFRSBBQSA-N 442.874 5.056 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 118916324 PXDOMWMSMCFAEF-UGIWRJBRSA-N 444.562 6.254 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 119087953 VEEBKUQFPONGGR-KWIIRQRCSA-N 444.700 7.171 30 40 IKEB Cc1cc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)ccc1Br 223727868 WOIZZLPUOZMPDQ-GFMRDNFCSA-N 444.398 5.159 30 40 IKEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Br)cc3)nc2c1 226344540 CZLVGPCIZCBAFM-UHFFFAOYSA-N 436.103 5.098 30 40 IKEB C[C@H]1CC[C@@]23CC[C@@H]4[C@](C)(CC[C@@H]5[C@@]6(C)CC/C(=N\O)[C@H](C)[C@H]6CC[C@@]45C)[C@@H]2[C@H]1OC3 257345411 SMVBJUJFMSJJCO-AMBNHOIGSA-N 427.673 6.927 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)SC1=Nc1ccccc1 260570015 TXELPTIDTKVTDG-WNOHRPASSA-N 431.605 6.332 30 40 IKEB COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O 408875837 LSLGYPKGWOLNMY-XWHUXBOCSA-N 440.996 6.531 30 40 IKEB N#CCn1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 408916389 WZESJRJHUCBHMJ-NTFVMDSBSA-N 438.556 6.108 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O 409058122 RLWSHMKQOHGQHU-VCHYOVAHSA-N 443.311 5.114 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 409208471 GFBAUFOMGTVQRL-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(SC)cc3)cc12 409284806 VHPYFYADNJOSFD-UHFFFAOYSA-N 441.512 5.422 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccccc2)c1C 409290272 RVMYOKVGHRCNQI-UHFFFAOYSA-N 449.352 5.011 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)ccc1Br 1434947 WUHOKOWAIKEHOY-SSDVNMTOSA-N 438.237 5.622 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3c(Cl)cccc3Cl)c2C#N)C1 2750878 AEFNJFRNTLIMGK-LXKVQUBZSA-N 433.404 6.729 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Br)cc3)c2C#N)C1 2753089 IWAOPYIYVVRETN-VQCVXAJWSA-N 443.410 6.185 30 40 IKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1NC(=O)c1ccccc1 3167681 VLEPGVHNQOSRTD-UHFFFAOYSA-N 445.566 7.451 30 40 IKEB O=C(Oc1ccc2ccccc2c1/C=N/NCc1ccccc1)c1cccc([N+](=O)[O-])c1 3213882 ARYSPAPGSKJPMR-WPWMEQJKSA-N 425.444 5.091 30 40 IKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@]34CC[C@@H]5[C@H](C)[C@@H](O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 4293647 UUQHSDXEXFGEPZ-UOHNGBKPSA-N 430.717 7.380 30 40 IKEB CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)cc32)cc1 4794641 SLOZAVCBNVVGHZ-VWLOTQADSA-N 434.580 5.751 30 40 IKEB COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1Oc1nc(Cl)ncc1F 8722658 AABHRPMQKJQQEB-NUGSKGIGSA-N 429.864 5.126 30 40 IKEB C=CCNc1nc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1C#N 8762237 LMKDFHKWGHLRED-UHFFFAOYSA-N 426.467 5.924 30 40 IKEB COc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C/c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 8818145 VHZOHYRWKVKIDZ-NWEVARLASA-N 445.902 5.531 30 40 IKEB CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 9380304 YKUIWDOCWKLGNG-MMTVBGGISA-N 440.562 7.103 30 40 IKEB C/C(=N\Cc1ccc(F)cc1)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 9635837 HGMLPDPARCTNCY-JVWAILMASA-N 442.519 5.591 30 40 IKEB CCOC(=O)c1ccc(N2C(SC)=N/C(=N\c3cccc(C)c3)C23CCCCC3)cc1 12410930 JCJOSZXCNPTOFQ-RWEWTDSWSA-N 435.593 6.144 30 40 IKEB C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccc(-c2ccccc2)cc1 12465479 VGQLRFOGNGBQPU-VAMRJTSQSA-N 429.567 6.075 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1 13841987 NEAICLRYGXEETM-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3n2Cc2ccc(C#N)cc2)cc1 15912064 NHUSKOBTZZRGRI-RUZDIDTESA-N 436.559 5.782 30 40 IKEB C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(C)cc1 34715112 XYNPHBFXVXYAAU-UHFFFAOYSA-N 447.391 5.302 30 40 IKEB N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 59182095 FNTDRKLXDRSNHQ-UHFFFAOYSA-N 429.570 5.490 30 40 IKEB CCN1C/C(=C/c2ccc(N(CC)CC)cc2)C(=O)/C(=C\c2ccc(N(CC)CC)cc2)C1 96399856 SBBSOVIOYNQVMD-DQIQZUARSA-N 445.651 5.751 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 102895371 YYEFINMTJYEYEN-WOOAAIBNSA-N 443.286 5.225 30 40 IKEB Brc1cc(Br)c(OCc2ccccc2)c(/C=N/c2ccccc2)c1 196925237 HOQHCBHOYZRRIG-YDZHTSKRSA-N 445.154 6.541 30 40 IKEB Cc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)cc1 408779523 XQOVJWKQSRZRSJ-MYYYXRDXSA-N 437.952 5.213 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(F)cc1 409137087 WHQOVUDIBKNNEY-UHFFFAOYSA-N 425.931 6.716 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br 409200090 GMJARRVHTULLAV-SRZZPIQSSA-N 425.164 6.368 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 876541 JITLHMFHAPIYMY-OAQYLSRUSA-N 441.358 5.908 30 40 IKEB CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9363615 YWRNAGSEERWSRA-JOCHJYFZSA-N 449.934 6.009 30 40 IKEB C=CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccc(F)cc1 12695942 FRGAXTUDEVCHKE-OAQYLSRUSA-N 436.556 5.116 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1cccc(Cl)c1 12788167 ISWMPWWSGMYECP-AWEZNQCLSA-N 431.920 5.199 30 40 IKEB O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 12960306 NKAJMJNCVXJYNQ-NOBPMBFOSA-N 436.895 5.852 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(O)nc(SCc3ccccc3F)nc1N2 17178665 FNEAMGRDWADKJD-LJQANCHMSA-N 433.508 5.178 30 40 IKEB COc1ccc(CN/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1OC 20196059 ZAJQGLPVNGNXMS-MUFRIFMGSA-N 447.966 5.792 30 40 IKEB CCc1ccc(C(=O)C2=CN(c3ccc(OC)cc3)c3ccc(F)cc3S2(=O)=O)cc1 32950820 RMCNOFWMOGJHQW-UHFFFAOYSA-N 437.492 5.046 30 40 IKEB CCCCCCCCCOc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 68569029 YVPYZHCSBVXQFE-YHXWELGASA-N 427.592 8.982 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3cccc(Br)c3)c(C)c2s1 72228610 SRBCXRQIQIAWHY-UHFFFAOYSA-N 431.359 5.736 30 40 IKEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 102696608 JJRZHGJEUZJJCB-JBCNATCCSA-N 444.512 5.639 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2F)cc1 102864337 ZUYXSMSVFBPRLK-MRJHHRETSA-N 444.487 5.370 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 102931203 IYICTCVVUAHZNQ-NHFXJNLRSA-N 448.450 5.201 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 224477282 KFRLCBWGWCRAJH-UHFFFAOYSA-N 448.588 5.241 30 40 IKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 408907362 MKRDWAAVTSLIBV-LBMUFILHSA-N 429.501 5.707 30 40 IKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 408909007 BLHUQNVHRURBGM-UINIZAEWSA-N 428.557 6.511 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 408910128 FUXLNVHAYPDYLZ-CXPRPJQYSA-N 429.383 6.160 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)N(C)C2=O)c1C 408960102 JMTXKUGMZHGCOR-KAJIUBQISA-N 447.579 6.338 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O 408960274 KNLHNANFGSPBBV-XNIFAAPXSA-N 447.604 5.378 30 40 IKEB Cc1cccc(COc2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 409091754 UEYHIITWJOGCIM-LGJNPRDNSA-N 429.398 5.947 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1 409216719 KPBTZKYPCDVMJJ-VULFUBBASA-N 438.365 6.713 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1Br 409242811 PEGXTOKLBHVJNZ-ISFSXHQYSA-N 449.345 5.611 30 40 IKEB CSc1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)cc1 409293094 GZNZFIBTYVIMGY-UHFFFAOYSA-N 445.931 6.067 30 40 IKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409312412 LMCYSKLITCHMIN-UCQKPKSFSA-N 431.513 5.351 30 40 IKEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1 8407954 FELINXJLPXJNFQ-XMMPIXPASA-N 436.552 5.407 30 40 IKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8821068 BLFNEYQQCHZYBP-VCHYOVAHSA-N 443.843 5.539 30 40 IKEB Clc1cccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)c1 9197730 CAEPKJBSPPDKAY-KKMKTNMSSA-N 442.777 6.774 30 40 IKEB CC1(C)C[C@@]2(CCO1)/C(=N/c1ccccc1)NC(=S)N2c1ccc(Br)cc1 9312808 LGNBPKGJXMXFNJ-NRFANRHFSA-N 444.398 5.202 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C#N)C1 9762926 VNZAXTWKFAUXCE-AWEZNQCLSA-N 429.586 5.427 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)o1 12419638 DDVNIZFMKOWAJV-ZVHZXABRSA-N 428.404 5.522 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1ccc(F)cc1 12652078 XHIRCSMLJUGCJY-DEOSSOPVSA-N 446.547 6.344 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)c1 13567923 VSTPKTDSYHIYEF-KRWDZBQOSA-N 425.912 5.193 30 40 IKEB CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc32)cc1 17285178 SRKKDHXJUSSFLO-GNTPUGDRSA-N 445.522 6.981 30 40 IKEB O=C(CO/N=C\c1cc(Cl)ccc1OCc1ccccc1F)Nc1ccc(Cl)cc1 33612608 PDCUOTFAOWTIIA-ZRGSRPPYSA-N 447.293 5.701 30 40 IKEB C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO 96023884 WGSYIFPPMZUQAN-IZCLTQQPSA-N 426.597 5.312 30 40 IKEB biogenic FC(F)(F)C(F)(F)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2Cl)O1 98002729 AXKUNQYLAVTVBG-UHFFFAOYSA-N 448.619 5.534 30 40 IKEB O=C1/C(=C/NCCc2ccc(Cl)cc2Cl)Nc2ccc(Br)c(Cl)c21 100393917 TZNHOYJXOBGSOX-ZSOIEALJSA-N 446.559 5.691 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)c1c(nn(-c3ccccc3)c1O)N2 100421499 FQNBGXGKYSKSJR-RDPSFJRHSA-N 433.511 5.536 30 40 IKEB Oc1ccc(Cl)cc1/C=N/c1ccc(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 100484395 QDRKFOPNKWCRGX-TWJWPTHRSA-N 442.002 7.586 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N/c1ccc2c3c(cccc13)CC2 100810974 YIEPMKFHDLEAOB-LSHDLFTRSA-N 431.127 5.920 30 40 IKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC 102948798 GVFOMTJSYWRVDJ-XMMPIXPASA-N 443.547 5.399 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 113853254 MEJLOUZDNPVDPX-BUHFOSPRSA-N 437.333 6.323 30 40 IKEB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 118923927 SUISKBUAOOSHAW-YSGDSLCYSA-N 444.612 5.265 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@@]3(C)C(=O)CC[C@H]43)C2)cc1 253597587 HNTMKSKJRZRWKS-MALQICNGSA-N 444.637 5.681 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N/c3ccccc3S)c2C)ccc1I 408788003 BZGWUPKBGRWKQP-WSDLNYQXSA-N 446.357 6.046 30 40 IKEB CC(C)N1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S/C1=N\c1ccccc1 408911373 NFHZEAGEJCAOSP-DNLCFCFBSA-N 444.398 5.528 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F 409076798 BWSGTOGGWMVQTN-WQRHYEAKSA-N 442.273 6.056 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cn(CC(C)C)c3ccccc23)C1=O 409127413 HJGCCBJVECLKEX-HMAPJEAMSA-N 446.572 5.841 30 40 IKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1C 409210731 KUHGYLUXOOTWPY-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 409211327 MXOFYWDDEWTCFX-CVKSISIWSA-N 438.365 6.794 30 40 IKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 2203226 HCJVAUWBSSUGAA-RNBXEWBNSA-N 448.877 6.382 30 40 IKEB CCCCCCCCn1cnc2c(NS(=O)(=O)c3ccc(F)cc3)c(C)c(C)cc21 3133376 GUPIAZWFONRQDV-UHFFFAOYSA-N 431.577 5.954 30 40 IKEB Cc1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c(C)n1-c1ccccc1Cl 3167153 GIRBFBCRJYVENS-WGOQTCKBSA-N 427.379 5.557 30 40 IKEB CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1csc(-c2cccs2)n1 8825878 KGDOUGDCCRODFH-UHFFFAOYSA-N 449.351 5.053 30 40 IKEB CCCCOc1ccc(C(=O)/C(=C/c2ccccc2OC)c2nc3ccccc3o2)cc1 9031495 CZRQXRRGBHIJGR-PYCFMQQDSA-N 427.500 6.439 30 40 IKEB O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 12261623 NMXGNMKXWUAPGX-MRXNPFEDSA-N 449.322 5.040 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c3c(cccc13)CC2)c1ccccc1 12558421 YBTXXDIWDHQRHT-HTXNQAPBSA-N 426.519 6.687 30 40 IKEB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 12982157 QNWHVGSXGVPWST-UHFFFAOYSA-N 429.545 5.946 30 40 IKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 14271472 HERMQYHZCPTETL-INIZCTEOSA-N 445.613 5.390 30 40 IKEB CCCCOC(=O)c1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N 15305979 FLUTWNFHMUHCKN-UHFFFAOYSA-N 430.529 5.919 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)c2ccccc21 28182678 HIGJXBUSINTZNE-YSMPRRRNSA-N 439.511 6.173 30 40 IKEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)cc1 59678960 HBNXLMZSTPNCMX-ATVHPVEESA-N 446.370 5.096 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)OC)c3)o2)S/C1=N/c1ccccc1 101391131 QWXOSSDPZIQZOJ-KWZOLKRCSA-N 432.501 5.357 30 40 IKEB CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N\c1cc(Cl)c(Cl)cc1Cl 102529168 AXUQORQZQGDGFR-OOAXWGSJSA-N 429.738 6.356 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4cccs4)[C@@H]3c3ccco3)sc2c1 102802971 FOQLOESFQAVPSU-GHNGSUTGSA-N 436.514 5.140 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1cccc(C)c1 104380085 JWEMYCAGTVOBFN-OLFWJLLRSA-N 445.761 8.055 30 40 IKEB CCCCCCCCCCCCNC(=S)N/N=C/c1cc(Br)ccc1O 104380312 KVWDSZNHQQQTSW-XQNSMLJCSA-N 442.467 5.874 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)s1 136444800 HMBJRYXRASHMAK-ZQJMEWMBSA-N 436.606 5.543 30 40 IKEB C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 224564539 UVXLTSIQMYTPDC-UHFFFAOYSA-N 438.574 5.326 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O 252623208 OMJIZRMQBBHMOY-ODKIPJEMSA-N 441.453 7.444 30 40 IKEB biogenic COc1cc(/C=N/c2ccc(F)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408541452 GHVILOKDZYGMJF-RDRPBHBLSA-N 446.522 5.790 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C#N)C1 408581996 KTPMZJHRJLFLEQ-AWEZNQCLSA-N 433.042 6.545 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccc(C)cc1 408911374 NFZAJEAUVIQNTQ-NFEGURHZSA-N 433.489 5.787 30 40 IKEB C/N=C1/S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1C 408928643 CUMJWZIOIPUSST-UTOXQPFPSA-N 430.360 5.528 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c1C 408968081 UDMWXQBYQXRQTP-ONUIUJJFSA-N 431.561 5.122 30 40 IKEB COc1cc(/C=N/c2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)ccc1C 409043535 RQLXIQSOLAGURL-LSHDLFTRSA-N 429.339 5.553 30 40 IKEB CCOc1cc(/C=N/O)cc(I)c1OCc1ccc2ccccc2c1 409084875 XUQMUWGAQZAIGR-WSDLNYQXSA-N 447.272 5.230 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409201600 MWWDPRVWWPEMOG-KKMKTNMSSA-N 448.777 7.602 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cccc(Br)c1 663065 NTAHEAFMDPYKQC-PZJWPPBQSA-N 434.333 5.491 30 40 IKEB CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(O)c1 833257 PMCRJTFVOVUTQF-UHFFFAOYSA-N 437.580 5.639 30 40 IKEB Cc1ccccc1-n1c(NC(=O)/C=C/c2ccccc2)c(C#N)c2nc3ccccc3nc21 1257193 FOTKUPGUNLXXJI-FOCLMDBBSA-N 429.483 5.406 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc12 2195586 XXSFVEQAWMJJBO-UHFFFAOYSA-N 429.568 5.419 30 40 IKEB CCCSc1ccccc1NC(=O)CSc1nc(-c2cccc(OC)c2)ccc1C#N 8451072 ORFRBBHFSIKAMI-UHFFFAOYSA-N 449.601 5.862 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1C 8827585 ZYABHEFXDHFXBQ-QHCPKHFHSA-N 446.503 5.206 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1C(=O)O 9265121 DOAYMSNAJIYSMX-OPEKNORGSA-N 446.385 5.165 30 40 IKEB COc1cc(OC)cc(C(=O)/C(=C\c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)c1 9420538 NJGQVLWVLVSSBB-CPNJWEJPSA-N 430.416 5.177 30 40 IKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccc(OC)cc3)c3ccc(O)c(C)c3O2)N1 12716874 RYQIQTFWSRHYSV-CPJSRVTESA-N 438.593 5.367 30 40 IKEB Cc1cc(SCC(=O)Nc2ccc(Cl)cc2Cl)n2c(nc3ccccc32)c1C#N 13134617 AXAUVUIFIJEETN-UHFFFAOYSA-N 441.343 5.705 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@H]2c1ccc(C)cc1 15024032 OZDRJIWWJNRYEC-QPPBQGQZSA-N 426.516 5.143 30 40 IKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)cc1 15826289 CHUMWJBCGUVNFZ-RUZDIDTESA-N 442.584 6.513 30 40 IKEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23 16545574 BEMKGTSYLVHLJP-SDNWHVSQSA-N 445.434 5.396 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc(C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 17838037 SKBIBFMWLDMRFV-ANXDTISPSA-N 426.354 5.488 30 40 IKEB CN(Cc1ccco1)C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 29970044 NXEXHCRLYNGJNV-UHFFFAOYSA-N 437.468 5.044 30 40 IKEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 35290819 MQTFBRUSXDACFW-UHFFFAOYSA-N 431.439 5.255 30 40 IKEB Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccccc2C)c1 44858749 CTQHTDAGXNQTDA-DEOSSOPVSA-N 440.547 5.410 30 40 IKEB C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 96023805 XWVVPZWKCNXREE-WPLIZOQJSA-N 440.668 6.764 30 40 IKEB biogenic COc1ccccc1[C@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1 102589451 JAXAOKXPROZBAT-MOBKVPTQSA-N 433.891 5.283 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 118914958 AXNNSHMUJUSTKY-XCWLXJHVSA-N 434.620 5.744 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118936600 FELCJAPFJOPHSD-UPGNKWQRSA-N 440.712 7.204 30 40 IKEB CCCCCCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC 408539008 DJEYGLOSKDODBN-HAVVHWLPSA-N 438.593 6.244 30 40 IKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1 408786795 NUTYOKMPQLOEPG-YDZHTSKRSA-N 442.300 5.652 30 40 IKEB C#CCn1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 408896198 QCADKALVZPNBHL-UHFFFAOYSA-N 440.587 5.590 30 40 IKEB CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408941176 OUAVVNZYWXPSCU-UBAGDLADSA-N 442.990 7.706 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 409045030 XOLQLFUYKULMJL-BHGWPJFGSA-N 435.694 6.885 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(C)C1=O 409061270 YVKKDCZOFVPICP-JUMVDPBBSA-N 446.528 5.561 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)ccc1OCc1ccccc1 409079552 KWYAKCPOTIQKDW-ZHZULCJRSA-N 434.289 5.373 30 40 IKEB COc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(OC)c1C 409288361 GNKKACQGNOKVRP-UHFFFAOYSA-N 439.471 5.018 30 40 IKEB CC(C)(C)Oc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409401743 FIFQYJICWXWRHZ-UHFFFAOYSA-N 447.538 6.276 30 40 IKEB CC(C)(C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 1531385088 SNXVGSQENHBQMD-WGOQTCKBSA-N 442.475 5.031 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C(F)(F)F 2055268 AYGHXYLBSIVJOB-OAQYLSRUSA-N 449.513 6.043 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\C=C\c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 2082223 PPVNLTXZAAHASO-AZKSEUFHSA-N 438.596 7.176 30 40 IKEB C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 2272637 MKOOJJOTJFTPDL-QGZVFWFLSA-N 432.699 6.858 30 40 IKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)cc3o2)cc1 3102932 GVVBSPGXGWDGDP-LGJNPRDNSA-N 449.894 6.810 30 40 IKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1c(Cl)cccc1Cl 3367910 HZLLLEHYRBYAIJ-UHFFFAOYSA-N 434.392 6.205 30 40 IKEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 8743986 ALZYLWKJWLFBPC-QFIPXVFZSA-N 446.503 5.072 30 40 IKEB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 8992396 MCIVAUJGXHIQNR-JAIQZWGSSA-N 447.295 5.377 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 9020045 CAIOWLYTAFINAI-QHCPKHFHSA-N 447.462 5.016 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C#N)C1 9136302 HIJKFEJSXILTTE-CQSZACIVSA-N 431.399 6.176 30 40 IKEB N#Cc1cccc(CSCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1 9836302 FSHDGGJKXKSZJS-NRFANRHFSA-N 435.936 5.416 30 40 IKEB Cc1nc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C 12520125 HFMWTEOTWVTYJJ-APWPAUIKSA-N 439.625 5.040 30 40 IKEB COc1ccccc1/N=C1\S[C@H](C)CN1C(=O)CC(c1ccccc1)c1ccccc1 13137798 UBURXNZSHLPITJ-MWFTZXFNSA-N 430.573 5.869 30 40 IKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1[C@H](C)Oc1ccccc1 13850316 FFMFMEKYFXEQTC-HNNXBMFYSA-N 430.371 5.659 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1 14133432 ROUNZOSGSOVFOQ-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 16637037 ZLOAUZJDFOUTCQ-JFLMPSFJSA-N 441.358 6.779 30 40 IKEB C=CCN(CC=C)[C@@H]1c2cc(-c3ccccc3)cnc2Sc2nc(-c3cccnc3)nn21 72396304 MSWDMJHSYMREJP-DEOSSOPVSA-N 438.560 5.088 30 40 IKEB C=C1CC(C(=O)N[C@H](c2ccc3ccc(-c4ccccc4)nc3c2)c2nccnc2Cl)C1 95080578 FINPDKQWUZMKLI-HSZRJFAPSA-N 440.934 5.517 30 40 IKEB O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 96601172 DZJPWZNHDUOBSF-UDGIJHFQSA-N 425.340 6.802 30 40 IKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 102874371 FEGKTRBVPUAEJG-YDJIHCHBSA-N 430.485 5.132 30 40 IKEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 102925306 YZYOGDQIWSWHSP-MRJHHRETSA-N 448.544 5.093 30 40 IKEB CCCC/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCCCCCC1 103103191 QDXIBALUAZJIQH-VHXPQNKSSA-N 426.586 5.197 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1C(=O)O 104376652 LEFJLOCEHZNTCR-SZXQPVLSSA-N 447.689 6.664 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OCC 214841566 RZJKYQWSDCSKFZ-LFVJCYFKSA-N 445.540 6.040 30 40 IKEB COc1cccc2c(/C=C3/SC(=Nc4ccccn4)NC3=O)c(-c3ccccc3)[nH]c12 408840192 BUDPCQLKAAXSCF-XMHGGMMESA-N 426.501 5.130 30 40 IKEB CC(C)COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 408909963 FTVQAQPCPSBJBD-UINIZAEWSA-N 428.557 6.530 30 40 IKEB CCN1C(=O)/C(=C/c2c(C)cc(C)cc2C)S/C1=N/c1ccc(N2CCCCC2)cc1 408929956 QCDNRHPQSMPJSQ-LTUYXDACSA-N 433.621 6.226 30 40 IKEB CCc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 409213475 VXVZGAUOYSRGGL-OGLMXYFKSA-N 444.372 7.494 30 40 IKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S/C1=N/c1ccc(F)cc1 409236869 HQOTXHDVPDIDFG-GOESLVMASA-N 433.552 6.166 30 40 IKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S/C1=N/c1ccc(OC)cc1 409249322 NFYSJFJXPRINPF-AGGBOBLOSA-N 445.588 6.035 30 40 IKEB N#Cc1nc(/C=C/c2ccccc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 606422432 FIAPKYDADLZZIE-PZVJUEDKSA-N 432.955 6.009 30 40 IKEB CC1(C)OB(c2cc(Br)cc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C 725239993 RUFYFSATBNDZNN-UHFFFAOYSA-N 448.169 5.845 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@@]4(O)C#Cc4ccccc4)[C@@H]3CC[C@@H]2C1 2049238270 AXNNSHMUJUSTKY-KAZDWLQDSA-N 434.620 5.744 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Br)Nc1ccccc1N2 709507 ASSBIDWZDQGTAA-CRICUBBOSA-N 445.360 6.429 30 40 IKEB CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccccc1C#N 978921 BBFNCKCNBXMZKI-UHFFFAOYSA-N 431.517 5.118 30 40 IKEB C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2244523 MVXKXIHANMCASH-JOCHJYFZSA-N 444.874 5.156 30 40 IKEB Cc1cc(C)n(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)n1 8448625 SASNLKIGCIYPKU-UHFFFAOYSA-N 442.519 5.672 30 40 IKEB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 8832234 JLHSJLSBQXYEFG-UHFFFAOYSA-N 447.901 5.680 30 40 IKEB CCN(CC)C(=O)C(=O)[C@@H](S/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1 16678379 KVAHJXYMBKRQHL-DEOSSOPVSA-N 445.588 5.698 30 40 IKEB N#Cc1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCN(Cc1ccccc1)C2 22808317 IUIIFCOUVWCKOB-UHFFFAOYSA-N 437.565 5.048 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1O 59387303 TXHQEGPGDODSBX-UHFFFAOYSA-N 434.363 5.672 30 40 IKEB Fc1ccc(-c2nn(-c3ccccc3)cc2CN2CCS/C2=N\c2ccccc2)cc1 71195242 PEVWOGOTJHOQDC-RFBIWTDZSA-N 428.536 5.915 30 40 IKEB Cc1ccc(/N=C/C=C(/Nc2ccc(C)c(Cl)c2)c2ccc(Cl)cc2)cc1Cl 100661668 UOQZPAZZODYLAG-AFMKNOHBSA-N 429.778 8.119 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 100851666 CZARGXPMJOQSJW-JWGURIENSA-N 441.618 6.537 30 40 IKEB CCCCCCCSCCSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 100977432 OZTYFFMPFXYYCE-UHFFFAOYSA-N 426.482 6.318 30 40 IKEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 102527988 IEELTGDAKUDOCY-MRJHHRETSA-N 441.955 5.096 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)CCCCCCCC(F)(F)C(F)(F)C(F)(F)F 169795133 HZXBSAKBBUYHTD-UHFFFAOYSA-N 436.227 7.383 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 408633289 JREJZYNXCKWMFV-XKZIYDEJSA-N 428.469 5.496 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)S2)cc1 408754971 SWQBJGQEYHSAGA-JLPGSUDCSA-N 428.557 6.028 30 40 IKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2cccc(Br)c2)OC1=O 408764491 UBSDSHGALZPIOS-SILNSSARSA-N 442.353 6.143 30 40 IKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1 408809320 RJQWYYXODNBCAY-MXAYSNPKSA-N 429.303 5.770 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O 408811782 AMTSZTACWPISGF-HMAPJEAMSA-N 432.932 5.705 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)c(C)c2)NC1=O 408820598 XDVMQRNRSKNRGG-UNOMPAQXSA-N 443.366 5.522 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CCCC2 408843818 AWJNWRHEBOKXRG-MSXFZWOLSA-N 449.488 5.267 30 40 IKEB C/N=C1/S/C(=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1C 408852955 KDAUBMHQGSRBQR-FUYBOGSOSA-N 444.387 5.837 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1C1CCCCC1 408910949 IDWBIPNJNQQHAR-HNEFAFEWSA-N 434.561 5.884 30 40 IKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCCC)C2=O)c2ccccc21 408913412 QRJQXVNDGJFEMI-UINIZAEWSA-N 429.589 6.540 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1O[C@H](C)CC 408963620 CVRNJBPRPVUXJG-KZKLBEMASA-N 448.947 5.947 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2c(Cl)cccc2Cl)C2=C1CC(C)(C)CC2=O 409203391 WWTINGOVXVSASS-UHFFFAOYSA-N 446.418 6.699 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 409215897 GIBNTTYQASAWAR-STBIYBPSSA-N 445.946 7.230 30 40 IKEB Cc1ccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)cc1 2317954 PAALBBCBKWIDEL-UHFFFAOYSA-N 443.338 5.630 30 40 IKEB C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 2627750 AEBRVPOURBJFDZ-UHFFFAOYSA-N 431.565 5.771 30 40 IKEB CCN(CC)c1ccc(/C=N\N=c2\scc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 4468157 DODOYTAPFPQHDZ-BUHLTSIJSA-N 440.616 6.295 30 40 IKEB N#Cc1c(-c2ccccc2)cc(N2CCN(C3CCCCC3)CC2)n2c1nc1ccccc12 6144002 WKMFHRPQPAHIOH-UHFFFAOYSA-N 435.575 5.481 30 40 IKEB COCc1cc(C)nc(N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c1C#N 6177745 UVGXEIAPIJEBDP-MUFRIFMGSA-N 436.515 5.586 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1 8396081 QEPHNXKTLMAJFR-MKRFAJQFSA-N 428.513 5.841 30 40 IKEB COc1ccc(-n2c(-c3ccccc3)cc3c2CCC/C3=N/OCc2ccc(C)cc2)cc1 8782232 MYUQZFOFORBPRB-IKPAITLHSA-N 436.555 6.719 30 40 IKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1cccc(Cl)c1Cl 8846658 WJEPMVOKOODBNE-JOCHJYFZSA-N 437.370 7.051 30 40 IKEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1O 9553427 SAVWUDZQPJJYQN-SANMLTNESA-N 440.499 5.222 30 40 IKEB COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 11869622 IYWSSMMBWIKISM-MTJSOVHGSA-N 436.847 5.193 30 40 IKEB CCCCCCNc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n12 16805102 SKMRULKBLFOQHV-UHFFFAOYSA-N 430.983 6.904 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1OCc1ccccc1Cl 19900779 YHADIUJZQJFSPK-UHFFFAOYSA-N 433.939 5.712 30 40 IKEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1 19923285 UXAAWCXKDDZAEJ-QHCPKHFHSA-N 438.568 5.150 30 40 IKEB Cc1cccc(CSc2nnc(/N=C(\O)c3sc4cc(F)ccc4c3Cl)s2)c1 27750323 ZTWKAANCWFXYGD-UHFFFAOYSA-N 449.985 6.782 30 40 IKEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 33011188 FUYSBSVFTKFDDO-UHFFFAOYSA-N 439.924 5.022 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl 35252621 LOTJJFAHXNXYMY-AWEZNQCLSA-N 447.391 5.554 30 40 IKEB CC1(C)CO/C(=C\C(=O)C23CC4CC(CC(C4)C2)C3)N1C(=O)C12CC3CC(CC(C3)C1)C2 36270310 BVFNYFOYQULCAM-OPVMPGTRSA-N 437.624 5.467 30 40 IKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c1 38179866 PKAVJLPORWOIHL-YZSQISJMSA-N 431.492 5.771 30 40 IKEB C[C@@H](NC1(CNCc2cn(CCC#N)nc2-c2ccccc2)CCCC1)c1ccccc1 97002557 STFIJOPRPAEUEU-JOCHJYFZSA-N 427.596 5.217 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1Br 100416829 BBECWGAEABMBCV-IBGZPJMESA-N 434.333 5.387 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 102876972 TUGQIINDJIIWLG-JBCNATCCSA-N 438.310 5.928 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 108061768 MQHUCEOCKKVWKX-MRXNPFEDSA-N 426.973 5.209 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H](OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118914834 TUEREPUZRGDETH-BEQUJODCSA-N 436.592 5.645 30 40 IKEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224628500 VWWWIZYMTCYBNY-UHFFFAOYSA-N 441.163 5.690 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1Cl 408562532 QSFKCPUWMNQAMS-UHFFFAOYSA-N 448.979 5.592 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccccc1Cl 408750535 OPHURWQKSCMZQO-MSXFZWOLSA-N 426.860 5.067 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 408844918 JCUALCWFQCFLGI-HIHZLFFLSA-N 445.415 7.176 30 40 IKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 408859583 YJJPVFAWVDJOCL-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB O=[N+]([O-])c1cccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)c1 408932115 UFSRKKGTSSGUNF-WPWMEQJKSA-N 440.503 5.185 30 40 IKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br 408945938 XSLBOQDZPZXFRQ-CMSXCWRSSA-N 445.360 6.732 30 40 IKEB COC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 408972119 SGLFFSZWWIAMIQ-WPWMEQJKSA-N 446.572 6.197 30 40 IKEB C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 409069637 MCIUQKVOUFHJNX-UHFFFAOYSA-N 436.548 5.530 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1 409215335 ZERQNUHXBGLWBL-WKULSOCRSA-N 434.366 8.093 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Sc2ccccc2)cc1 409307190 UAZXFZDISZQMEO-UHFFFAOYSA-N 439.584 6.478 30 40 IKEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409384837 FECGNJAQSIHOCD-BRJLIKDPSA-N 436.533 5.490 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](CCCC)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037879143 ZYSFXDSKINUKJL-NTNMUZRVSA-N 426.528 6.285 30 40 IKEB CCOc1ccc2nc(SCC(=O)Nc3ccc4sc(C)nc4c3)c(C#N)cc2c1 862108 MFNVZNHTMZWDDD-UHFFFAOYSA-N 434.546 5.154 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 8433216 FWTXLNDFQLJULY-SXOMAYOGSA-N 433.677 6.548 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1C 9993937 YNFGFEREQHVTNG-DEOSSOPVSA-N 442.515 5.270 30 40 IKEB COc1cc(OC)c(OC)cc1/C=C(/C(=O)c1ccc(C)cc1)c1nc2ccccc2o1 12756038 ATVSEIKSHPXOSM-UYRXBGFRSA-N 429.472 5.586 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 19799667 VNCULZCXSZTEGR-KEBDBYFISA-N 441.339 5.666 30 40 IKEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 20625310 KLJAKCYBBICKAM-JJFYIABZSA-N 440.326 5.947 30 40 IKEB O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1cc2ccccc2o1 102803353 MVZFIDBCXKXFHX-SELCWUDQSA-N 436.876 5.169 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 245241390 CMCWTYNIVZMUIH-XCSJNUKPSA-N 430.554 7.701 30 40 IKEB C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 408782743 JAGFPWHTRGIKMW-VEILYXNESA-N 430.573 5.872 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)S2)c1 408962215 QZKKSOVAHWQKKM-MTJSOVHGSA-N 432.501 5.462 30 40 IKEB Cc1ccc(/N=C2/S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)C(=O)N2C)cc1C 409156760 GYQGOIDNXLHBEY-ZOSJBBHMSA-N 447.516 6.014 30 40 IKEB Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4Cl)NC3=O)o2)c([N+](=O)[O-])c1 409202208 QBPXSVYIMGGWTK-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2C)cc1C(C)C 409308538 XUOBTOIFLDGRHI-UHFFFAOYSA-N 439.559 6.085 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)[nH]c2ccccc12 409337608 ZVOASXQEVCZZEI-CYBMUJFWSA-N 437.341 5.344 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(OCC)c1OCC 409342785 FBFBAIBIBNIUAC-HKWRFOASSA-N 431.623 5.746 30 40 IKEB CCCCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)Cn2c1nc1ccccc12 1554503641 ZFNKSYWHIZJYFT-FQEVSTJZSA-N 432.568 5.388 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 702367 SFXMYOXEFIRAGI-RUZDIDTESA-N 441.527 5.215 30 40 IKEB COc1ccccc1NC(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2)c(C#N)c1C 838404 FOXLOGZUEFSKBR-UHFFFAOYSA-N 439.924 5.024 30 40 IKEB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)o1 997104 ZEAUUTQQMKSDAH-AWEZNQCLSA-N 427.529 6.114 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 1805261 DYKIIDUHIXADND-UHFFFAOYSA-N 428.601 6.244 30 40 IKEB biogenic CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 13570026 GGUKEGPZIBBTMC-QFEZKATASA-N 428.484 5.548 30 40 IKEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)cc1C 13879692 NYLNEXDVNFIBBM-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(Cl)c3)c2C#N)C1 17097779 JMFJSCDMCNUZKB-ZDUSSCGKSA-N 432.014 5.551 30 40 IKEB COc1c2c(cc3c1[C@H](C/C(=N\O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 36035052 DXIVGIUXGUGYMH-QRUUQNQBSA-N 428.573 5.502 30 40 IKEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 36611448 MWRPCLKSQZDKTH-LSHDLFTRSA-N 432.864 5.107 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1cccc([N+](=O)[O-])c1 59193639 WNGJGQPESJOPMG-ZVHZXABRSA-N 444.472 5.384 30 40 IKEB C=CCn1c(C)c(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc21 59567020 OOACPFGITQTIQY-UNOMPAQXSA-N 442.371 6.334 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(Cl)cc3Cl)c(C)c2s1 72228619 APVUVRCLCYSJIR-GATIEOLUSA-N 435.380 6.670 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 102656300 NDTUHKKTTBVOMI-LMTJQJACSA-N 444.556 5.377 30 40 IKEB CCCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)S/C1=N\c1ccccc1 223570252 WWYSEDDAYLITQW-HKJLTUBRSA-N 447.648 6.731 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Br)cc1)C2=O 253497810 CTGFFXZZHKKDLF-KSOYQNEMSA-N 441.453 7.444 30 40 IKEB COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1F 408533364 QNHAWUWCSMJAKC-UCQKPKSFSA-N 448.519 5.613 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)c(C)c1 408773965 URCAMFQDNHYPJT-UUYOSTAYSA-N 446.532 5.511 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccccc1 408906436 BKZOOGXCULGDJE-VZEKXXQZSA-N 434.564 7.205 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 408930290 UYPJNVXOJJDHAI-DBPHPPTCSA-N 430.957 5.158 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2cccc(Cl)c2Cl)NC1=O 408960641 NKOMAWPOLBTVAV-PDGQHHTCSA-N 432.376 5.794 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1ccc(Br)c(Cl)c1 409020097 LWIPCKGLBOMUEH-NSUZWAMQSA-N 437.746 5.432 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)C1=O 409068442 AONHCVKFPMRZGJ-XDHOZWIPSA-N 444.350 5.559 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C 409212803 RICOYPSHGKGVHA-UFFVCSGVSA-N 445.582 6.713 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1C(C)C 409216343 HMHVVGIHDMIOEJ-GRUKXCDCSA-N 439.537 5.263 30 40 IKEB COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC 709517 OJVSDPMGDOHGSH-HFJWLAOPSA-N 426.516 5.683 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)ccc1O 2081828 SYGYADBSIGVFRH-JWMLTMDESA-N 430.529 5.826 30 40 IKEB N#Cc1c(SCc2nc3ccccc3[nH]2)nc(-c2ccc(Cl)cc2)c2c1CCCC2 2256143 NVRFNVMLOCHGRI-UHFFFAOYSA-N 430.964 6.321 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)NC3=O)c2C)cc1 2293441 RDXBLRRUYBTFEI-PXLXIMEGSA-N 445.544 5.162 30 40 IKEB C=C(C)Cn1c(SC/C=C(/C)Cl)nc2sc3c(c2c1=O)CCc1ccccc1-3 2308182 ZWJBTYOPCGVZIP-UVTDQMKNSA-N 429.010 6.034 30 40 IKEB CCOC(=O)[C@H](CC)Sc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N 6134513 CNRZJMLGILQIBC-QHCPKHFHSA-N 432.545 5.730 30 40 IKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2cccnc2c1 9354802 PWYPCMVWQCPFOW-GXDHUFHOSA-N 434.926 7.308 30 40 IKEB N#Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1 9489947 FUJWULVYCABEQW-SJLPKXTDSA-N 445.832 5.321 30 40 IKEB Cc1cccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccc(C(C)(C)C)cc3)n2)c1 11903217 GHZGSDZRNWZIGU-UHFFFAOYSA-N 432.549 5.058 30 40 IKEB C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)c2ccccc23)cc1Cl 19804666 FZBOJNQJTOHFSM-NRFANRHFSA-N 435.907 5.036 30 40 IKEB N#Cc1cccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 28539665 JXNNUGBKFRCGPW-UHFFFAOYSA-N 426.479 6.088 30 40 IKEB Clc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1Cl 59194507 RFVDXASQPCUYEK-WYMPLXKRSA-N 428.344 6.628 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccccc1Cl 100499515 OICOOBMBFZRVRV-WDIQAHRZSA-N 427.982 5.890 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccc(Cl)cc1 102874860 RWZHOZJUQOQWQP-NHFXJNLRSA-N 439.298 5.010 30 40 IKEB c1ccc(/N=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)/C2=N/c2ccccc2)cc1 103711645 TXPDBMSODBCQAQ-BSCDBXJPSA-N 444.648 7.517 30 40 IKEB CCCCCCCCCCCCOc1ccc(/C(=N/NC(=N)N)c2ccccc2)c(O)c1 104391351 SFKBCHSNVQZYJD-XLVZBRSZSA-N 438.616 5.927 30 40 IKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 408560784 OYZUGBVFXFJGKF-UHFFFAOYSA-N 441.428 6.015 30 40 IKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1I 408737479 BIEQFYDARPDVHG-FSJBWODESA-N 432.280 5.897 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N\OCc3ccccc3)c2C)ccc1I 408778079 AHZCWIHNVZREEV-QRVIBDJDSA-N 444.316 5.558 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c(O)c3)S/C2=N/c2ccccc2)cc1 408917542 WSWIYWHFDSGURT-GTZNUUOLSA-N 446.528 5.214 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OC(=O)c4c(F)cccc4F)cc3)n2)cc1 409020324 NXWUOSGGFZYGCG-UVHMKAGCSA-N 449.482 6.062 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc(C)c1 409104540 JPGGZQZTNFFNSE-IPBVOBEMSA-N 449.860 6.096 30 40 IKEB C=CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S 409341985 CPBHLDDPBLEJGO-FYJGNVAPSA-N 439.005 6.039 30 40 IKEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409379917 CDQCBSBYJZZANW-WYMPLXKRSA-N 433.376 5.347 30 40 IKEB O=C1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1cccc(Cl)c1 2256879 OAMPGTZPOVSCHJ-IBGZPJMESA-N 429.701 6.180 30 40 IKEB CCCCCCCCCC(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 2319036 JJUBKLQVYAHOPM-UHFFFAOYSA-N 447.069 8.180 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccccc1)c1ccccc1N2 9264147 PTLWWTDWVKTKCF-RUZDIDTESA-N 443.934 6.552 30 40 IKEB O=C(/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 13591048 QDMZUWVXMJWTDD-LFIBNONCSA-N 439.216 6.651 30 40 IKEB COc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl 17101223 OWBIPGXQQPCSSD-LBPRGKRZSA-N 437.392 6.338 30 40 IKEB COc1cc2c(cc1OC)[C@H](c1sccc1C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18200059 HZZDGHGPDKORAN-PEBXRYMYSA-N 437.586 6.093 30 40 IKEB CCCOC(=O)c1nc(N(CC2CCCCC2)C(=O)NC)sc1/N=C/c1ccccc1 18212406 RDBNCCPXPVIYCL-MFKUBSTISA-N 442.585 5.187 30 40 IKEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCc1cccc(C)c1 34718168 RPSVBMORLRTSLT-XYJKTABCSA-N 436.558 5.457 30 40 IKEB Cc1ccc2nc(/C(Cl)=C/c3cccc(OCc4cccc(C#N)c4)c3)cc(=O)n2c1 40139791 MKBRELRVHJDJKL-UUYOSTAYSA-N 427.891 5.191 30 40 IKEB COc1cc(/C=N/c2ccc(C3CCCCC3)cc2)ccc1OCc1cccc(C(=O)O)c1 59678428 UFRNHFZHBNNHTM-RDRPBHBLSA-N 443.543 6.771 30 40 IKEB CCCC(NCCc1c(C)[nH]c2ccc(OC)cc12)=C1C(=O)CC(c2ccccc2)CC1=O 100140057 JTYYNFYPFRLSLG-UHFFFAOYSA-N 444.575 5.387 30 40 IKEB CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc23)CCCC1=O 100140334 CBDDSGHZWNPZHQ-UHFFFAOYSA-N 444.575 5.564 30 40 IKEB O=C(CCCOc1ccc(Cl)cc1Cl)/N=C1\N=C2C=CC=CN2Cc2ccccc21 102942301 YTSUVXHCOXETFC-VYIQYICTSA-N 440.330 5.423 30 40 IKEB CCn1ncc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2)c1F 252509820 YWFHXNJTQXHMEP-HCBMXOAHSA-N 447.223 5.271 30 40 IKEB Cc1ccc(C(=O)/C=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408692194 GULCDGCMCSEDHS-WYMLVPIESA-N 434.366 7.509 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c(OC)c1 408858087 JJTUDIIDUVJQBZ-PZFZXBCHSA-N 440.540 5.780 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3ccc(C(=O)O)cc3)S/C2=N/c2ccccc2)cc1 408916883 HYJRGXOCUFETDM-INCSMEFSSA-N 444.512 5.198 30 40 IKEB O=C(NCc1ccccc1)c1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCC2 409156469 SJUYRAZMXAQDTC-RWPZCVJISA-N 440.515 5.909 30 40 IKEB COc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 409185576 MSZJPBNNTMTGIK-QTPRHWQCSA-N 433.939 5.116 30 40 IKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409216011 HGHDZKDAGVXSBQ-YDZHTSKRSA-N 425.282 5.995 30 40 IKEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409380152 JHLQLBLOGHATSV-RPPGKUMJSA-N 440.858 5.254 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(I)cc2)cc1OC 409380968 QFSZKFQXECVIMW-WLQYJRLHSA-N 443.712 5.881 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 681882 FZOQITOWFUELIN-MNNSJKJDSA-N 438.571 6.798 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(C[C@H]1CCCO1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O 902510 JBDPQRRMJBNPBM-QGZVFWFLSA-N 449.591 5.257 30 40 IKEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1 1223607 RHIGVLKOMSBZGT-UHFFFAOYSA-N 425.513 5.513 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 1450580 KKPOCSRADBIFPD-FQEVSTJZSA-N 430.485 5.235 30 40 IKEB COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1cc(C)ccc1C 2791600 JZUDKBAQVYPRLN-BHGWPJFGSA-N 432.496 5.024 30 40 IKEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C)c1 3481421 AXBDESUSFNEMOH-UHFFFAOYSA-N 440.952 5.282 30 40 IKEB CN(C)CCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N 8451265 ZLLANXXCLSPWEY-UHFFFAOYSA-N 430.293 5.055 30 40 IKEB COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(C)=O 9264315 GHIOUXPTYCHIBO-MRDQGFSESA-N 428.488 5.209 30 40 IKEB O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccccc1)c1cccc(Cl)c1 9403316 MDPCVVJOIBPPGT-UHFFFAOYSA-O 433.887 5.280 30 40 IKEB Cc1ccc(-c2cnc(SCC(=O)[C@H](C#N)c3nc(C)cs3)n2-c2ccccc2)cc1 9586627 CSMWJVWQNCSCSY-FQEVSTJZSA-N 444.585 5.581 30 40 IKEB COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)no2)c1 9597836 FUETUFSSHFXHMC-HNNXBMFYSA-N 435.549 5.687 30 40 IKEB Cc1cc(C2=CSC(=C3C=CC(=NC(=O)c4ccco4)C=C3)N2)c(C)n1C[C@@H]1CCCO1 12693131 XSQBKRJUWPOFGY-FQEVSTJZSA-N 447.560 5.131 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2nc(-c3ccccc3)cs2)n(Cc2ccco2)c1C 13074981 XDMWKYULMMEECC-UHFFFAOYSA-N 448.573 5.472 30 40 IKEB Cc1nc2sc(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c(N)c2c(C)c1C 13574628 JDWVWYDZXQOQTJ-ZHACJKMWSA-N 447.585 6.014 30 40 IKEB COC(=O)c1ccc(/C=C(\C(=O)c2cc(OC)cc(OC)c2)c2nc3ccccc3o2)cc1 13655097 QNFZMVNIBKEMSX-CIAFOILYSA-N 443.455 5.055 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 14257300 VLXUERIDZMIKPA-VCHYOVAHSA-N 442.855 5.329 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cc2ccccc2o1 15018922 FJCJPSPBKVCKLL-UHFFFAOYSA-N 438.940 5.570 30 40 IKEB COc1ccc(Cl)cc1/C(O)=N/c1c(NC2CCCCC2)c2ccccc2oc1=O 20853732 BBYQGLKUEMCMLW-UHFFFAOYSA-N 426.900 5.836 30 40 IKEB COc1cc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)ccc1OCc1ccccc1 28351273 SOBZMVGVFNGCRI-CEUNXORHSA-N 443.591 5.043 30 40 IKEB CCCCCCCCCP(=O)(CCCCCCCCC)CCCCCCCCC 100072400 QRFDIEMZNYYUIL-UHFFFAOYSA-N 428.726 10.601 30 40 IKEB O=C1/C(=C/c2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1C1CCCCC1 100403215 KTSKKESYSNAFSS-HZLKLEQGSA-N 431.388 6.930 30 40 IKEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 102931305 DDOKQZLYLWWRCT-ZHHPLPSFSA-N 445.515 5.208 30 40 IKEB CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=N/c2ccccc2)/C1=N\c1ccccc1 102953563 NLFNSWMTPUMXMU-CDTUYSNOSA-N 443.601 5.400 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)cc1C 408730086 MXYXEWVGECKTOW-WQRHYEAKSA-N 430.371 5.024 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1O 408768019 BFMIXGAHDXRUGT-YUMHPJSZSA-N 434.561 5.412 30 40 IKEB Cc1c(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c2ccccc2n1C 408873932 XLSPKJSAJZMGAH-KKOPTWAASA-N 447.579 6.563 30 40 IKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc(F)c1 408932623 YIOXOBSLAZAIDD-MTDXEUNCSA-N 434.511 5.391 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1C(C)C 409210614 LSWSDIJFBVPHAJ-HFYOLELGSA-N 433.917 5.597 30 40 IKEB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 705084 MGWXXKQXYKCYIH-DHRITJCHSA-N 447.585 6.100 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 792609 TZQLJEPCNXUWFA-QFQXNSOFSA-N 442.559 5.319 30 40 IKEB CCOc1cc(/C=N/c2ccc3ccccc3c2)ccc1OC(=O)c1cccc2ccccc12 3044402 XECVFPMXXTWKHV-AJBULDERSA-N 445.518 7.362 30 40 IKEB N#Cc1ccc(CSc2nc(-c3cccs3)c(C(=O)C(F)(F)F)cc2C#N)cc1 3418727 SIUSNBWOSDPOHF-UHFFFAOYSA-N 429.448 5.591 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 8439967 QOVPCICKTARHON-DEOSSOPVSA-N 427.500 5.254 30 40 IKEB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)/C=C/C=C/c3ccccc3)c3ccccc32)c1 8927842 PSFVPAFHAATMEL-OUKPMHHTSA-N 437.539 5.267 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccccc4)c3C)C1=O)cn2C 9421991 DLHKJDIVTWAODG-DHRITJCHSA-N 425.484 5.691 30 40 IKEB CCOc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2)cc1 9540770 QBVIKVKNAFUIKY-WVZPCHHUSA-N 425.484 5.268 30 40 IKEB C=CCNC(=S)N/N=C/c1cn(CCOc2ccc([C@@H](C)CC)cc2)c2ccccc12 9554190 WLBZRGFXYGYMOQ-VEMGOHLESA-N 434.609 5.218 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Br)cc1 9635939 FMSCHFWHVYOSSH-QFIPXVFZSA-N 432.361 6.803 30 40 IKEB CCOC(=O)c1sc(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)nc1C 11992184 JTLROQCLJSSRRB-FSJBWODESA-N 429.929 5.307 30 40 IKEB CCCCCCOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 11992772 BLGRMACAGROCBR-AFUMVMLFSA-N 448.419 7.522 30 40 IKEB C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1-c1ccncc1 14247586 BTBVHDYQOFRAKW-UHFFFAOYSA-N 435.578 5.341 30 40 IKEB COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)c1 15946425 UJOSRMYCDNUJKD-JFLMPSFJSA-N 448.588 6.264 30 40 IKEB CC(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 18195455 OEXREUAVLDQMGN-QFIPXVFZSA-N 427.548 5.902 30 40 IKEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)O2 18197134 ZETNUWLLGHAJBB-QHCPKHFHSA-N 439.342 6.078 30 40 IKEB N#Cc1c(N)nc2sc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c2c1-c1ccccc1 20840780 OVYRSTORYRNKFS-UHFFFAOYSA-N 446.535 5.897 30 40 IKEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@@H](c1ccccc1)N1CCCCC1 32624557 GXFMLLNYWNJWAA-QFIPXVFZSA-N 436.943 5.418 30 40 IKEB Cc1cc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@H]3C2(C#N)C#N)c(C)c1 40163703 YYJOHIQCSCXTOM-DOEKTCAHSA-N 444.538 5.291 30 40 IKEB CCCCCCCCCCCCOc1ccc(C#Cc2ccc(C#CC(C)(C)O)cc2)cc1 98045060 ZFDZGFLPBFUJBZ-UHFFFAOYSA-N 444.659 7.509 30 40 IKEB CCCCCCCCCCCCCCCC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O 100306480 YWUFQAQWMURITA-QHCPKHFHSA-N 445.471 8.697 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccccc1C 100499314 MVMLFSSJLHMRNX-ZMPCKTLKSA-N 437.590 5.554 30 40 IKEB Cc1cccc(/C=N\CC[C@@H](S)CC[C@@H](S)CC/N=C/c2cccc(C)c2O)c1O 104373836 BOFCHUFJJKIXGD-VUQKXIGNSA-N 444.666 5.410 30 40 IKEB COc1cc(/C=C/c2ccc3nc(O)[nH]c3c2)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 408735022 JNSGBLOSGNVNGD-NSCUHMNNSA-N 428.404 5.020 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 408911035 IPIYVVCUTHKEHM-YCJCGMCGSA-N 444.556 6.129 30 40 IKEB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=N\Nc1c(Cl)cc(Cl)cc1Cl 408994770 IXSGSLGMYPNCGW-ZRGSRPPYSA-N 443.765 7.049 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409080203 MUSMHZLOEFKYQG-ZDLGFXPLSA-N 442.273 6.056 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409203096 UZJHWCMVFAPMOP-LGJNPRDNSA-N 443.330 6.079 30 40 IKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 409209062 FMMYYCNAFIFMEB-ZMOGYAJESA-N 440.293 5.486 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 409211178 LARIVHLWCCALQM-CVKSISIWSA-N 438.365 6.794 30 40 IKEB O=C(c1ccc(OC(F)(F)F)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243055 VWBGLLHKIZCJFP-UHFFFAOYSA-N 426.128 5.375 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 780226 QAZFUNOTVQEZMS-UHFFFAOYSA-N 443.543 5.317 30 40 IKEB Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)c1 3050033 INBUAJPSCZSKAK-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB C=CCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(OC)c3ccccc23)cs1 3350565 NWFJKLDXXVVUBL-UHFFFAOYSA-N 425.513 5.676 30 40 IKEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2CC)c1 3352570 JEZPIHRCKQRZEJ-UHFFFAOYSA-N 434.561 5.191 30 40 IKEB CCCCCCCCCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2 8397664 IICLHPKUGWRTLL-UHFFFAOYSA-N 426.689 7.869 30 40 IKEB O=C(c1ccccc1)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 8398069 ODDILOYPALKKQE-BXVZCJGGSA-N 444.494 5.137 30 40 IKEB C/C(=N/NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1cccc2c1OCO2 8655627 RXIDOYLAWXOLHZ-UQQQWYQISA-N 444.597 5.488 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 8809791 CWPKVJRKDYJFFN-FNOMLQJYSA-N 433.382 7.879 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 8861060 FWERGIIKWSLXRL-OVVQPSECSA-N 442.540 5.350 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(C)c(Cl)c1 10059446 VKCMTLYZXSJEPJ-UHFFFAOYSA-N 440.956 5.026 30 40 IKEB C/N=c1\scc(-c2ccccc2Br)n1N=C1CCC(c2ccccc2)CC1 12528871 GSWZMERWYPEZCC-ANNDGAGRSA-N 440.410 6.072 30 40 IKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)OC(=O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 13409724 GYFDUNYHWOMITG-KRYWEKSYSA-N 444.700 7.315 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1 13567901 FNCYWOXNKPDDAR-SFHVURJKSA-N 445.437 5.250 30 40 IKEB COc1ccc(-c2nc(/N=C\c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 14406263 RSAOEYAJYLAAKS-OYKKKHCWSA-N 431.473 5.850 30 40 IKEB CC(=O)c1nn(-c2ccc(Cl)cc2Cl)/c(=N/N=C/c2ccc(Cl)cc2)s1 16322070 SCLRPNLJFMIZMN-BXTBSTLWSA-N 425.728 5.031 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Cl)c2C#N)C1 17097780 WDWMOTDIBAVKKY-GFCCVEGCSA-N 432.014 5.551 30 40 IKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cc(Cl)ccc1OC 19630704 XHCZBIHZEYPDEU-UHFFFAOYSA-N 439.890 6.104 30 40 IKEB COc1cccc(CO/N=C/c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1 22873183 GGAGLNSAYIEGCE-LUOAPIJWSA-N 436.817 6.105 30 40 IKEB Cc1ccc(CSc2nnc(/N=C(\O)c3sc4cc(F)ccc4c3Cl)s2)cc1 27912430 GTHQNGOAWRAROD-UHFFFAOYSA-N 449.985 6.782 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(Cl)cc1 30738660 SNGZFDAQFUHGRF-YJOHERITSA-N 444.025 6.504 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=N\OCCC#N 31829769 WIZOEYDUOXKTRB-SAYIFTOMSA-N 440.628 6.147 30 40 IKEB COc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(Cl)c2C)NC1=O 33458527 RZJJOTLNKDOYAX-CXUHLZMHSA-N 437.746 5.311 30 40 IKEB CC1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 35317799 CDBOJGPJMRWNAJ-BVXMOGEKSA-N 426.170 7.766 30 40 IKEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 35646449 MPHUNDVQCKBKLF-WQRHYEAKSA-N 443.297 5.740 30 40 IKEB CN(C)c1ccnc(Nc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1C#N 36382155 QJSOVYZFVSONJJ-UHFFFAOYSA-N 433.821 5.622 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N/Cc1ccccc1C(F)(F)F 100330897 DOQQUUUNUVMQCC-ODCIPOBUSA-N 437.053 5.555 30 40 IKEB COc1cc(/C=N/c2nccs2)cc(Br)c1OCc1ccc(Cl)cc1 100383844 XCMDJLBSGAPHSQ-LSHDLFTRSA-N 437.746 5.897 30 40 IKEB CCN1CC[C@](O)(/C=C\c2ccc(C(C)C)cc2)[C@H](C(=O)/C=C/c2ccc(C(C)C)cc2)C1 104318261 WZLWYHADODLHEK-RKYSAJCHSA-N 445.647 6.302 30 40 IKEB Cc1ccc(COc2ccc(Cl)cc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408532656 VBDBOOSJZWMDQX-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408906221 BBFGPCBQEYFCLJ-ULWVPNJNSA-N 429.501 5.960 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 408911332 MZNPKBGBEONIGR-XRDVUCKLSA-N 440.612 7.349 30 40 IKEB CC(C)(C)[C@@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1cccc(Cl)c1 408920506 JLGYCEBZDHTALE-AWEZNQCLSA-N 448.766 5.110 30 40 IKEB CCOC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(C)C3=O)o2)c1 409151041 FXCZXOYCNPRCOL-KWZOLKRCSA-N 432.501 5.357 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409384231 CJBJUBWCDVEXPP-STBIYBPSSA-N 432.435 6.587 30 40 IKEB COc1cc(/C=N\c2ccc(C)cc2Br)ccc1OCc1ccc(C(=O)O)o1 409386493 UOBGOTYLRFGNKR-KSEXSDGBSA-N 444.281 5.387 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O 859577 BNEMAUVSJMKIMZ-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8821101 CGYXCQQRFGINQR-HYARGMPZSA-N 441.468 5.900 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1 8827769 QNGNYPBBHGLZCA-HSZRJFAPSA-N 442.471 5.636 30 40 IKEB Cc1ccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3nc4ccccc4nc32)cc1 9463681 OPASOXSXPQBQJD-WKULSOCRSA-N 448.530 5.226 30 40 IKEB N#Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1[S@](=O)Cc1ccccc1 9971512 XBSSRYFBBYABKP-HKBQPEDESA-N 425.509 6.451 30 40 IKEB Cc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N/OCc2ccc(Cl)cc2Cl)cc1 12338495 LYNJBAONZIQJKE-JVCXMKTPSA-N 446.337 6.708 30 40 IKEB COc1cccc(/C=N/Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 13402372 MKEIGFRDZLIMKT-DHRITJCHSA-N 427.485 5.524 30 40 IKEB CCc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)cc2c1 13503471 KBHKTYLQNCQPKW-UHFFFAOYSA-N 432.574 5.212 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 14273293 GBLCUTYJTVSVMN-VZUFXWRPSA-N 443.956 5.984 30 40 IKEB Cc1ccc(C(=O)Oc2cccc([C@H]3Sc4ccccc4NC4=C3C(=O)CCC4)c2)cc1 14671937 PCUIXPDSYDCIIX-AREMUKBSSA-N 441.552 6.480 30 40 IKEB O/N=C(\CCCCCCCCCC/C(=N\O)c1ccc(O)cc1O)c1ccc(O)cc1O 16385591 IGNPOJGLBWGABI-CDTUYSNOSA-N 444.528 5.467 30 40 IKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 16741373 HBZUKTBGVVZSPP-QFIPXVFZSA-N 439.939 5.626 30 40 IKEB O=C1/C(=C/c2cccc(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 33367456 BSOCMNASONXDMO-YVADOFBFSA-N 449.373 6.253 30 40 IKEB C=CCSc1nc2ccc(/N=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1 59483330 NXKNGGWRJSUNSA-HYARGMPZSA-N 440.550 5.070 30 40 IKEB C/C(=N\c1ccc(Oc2ccc(/N=C(\C)c3ccccc3O)cc2)cc1)c1ccccc1O 68603052 VWZIISQABNBALW-CZYCKNNWSA-N 436.511 7.172 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 83309946 PQDOAQWFNAVOLQ-BKUYFWCQSA-N 432.505 5.202 30 40 IKEB CC(C)[N+](C)(CC#C[C@@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 100746782 XMLJZMMZIZSGTD-HODVXLLHSA-N 432.628 6.143 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1C=C1C(=O)c2ccccc2C1=O 408731053 INTCZQWYCHKZJZ-UHFFFAOYSA-N 448.110 5.239 30 40 IKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl 408936387 FUDCDNAHHZABAY-RCUHJWHVSA-N 442.990 7.706 30 40 IKEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 408943997 TWFGDWWIDVNEJI-MKMNVTDBSA-N 441.108 5.651 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F 409208948 DLXUQGIHYZIGOW-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c1C 409210366 KLWKFDDWRFWLGT-LQKURTRISA-N 444.372 7.549 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 409216342 HMDSQZMCYNKVMK-PCLIKHOPSA-N 440.337 6.789 30 40 IKEB CC[C@@H](C)Oc1ccccc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409286386 YMOCEOQAKNEZOT-OAHLLOKOSA-N 442.357 5.342 30 40 IKEB CCn1c(C)c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc21 409305061 LQVAQMLYAUOJOT-UHFFFAOYSA-N 446.510 5.975 30 40 IKEB CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(Cl)cc1/C2=N\[S@@](=O)C(C)(C)C 2362801514 KYAISOQRPYDIMF-CUPRHGITSA-N 439.021 5.165 30 40 IKEB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)o1 1061555 BNFMYPUFWPKDLP-AFUMVMLFSA-N 430.464 5.020 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)ccc1OCc1cccc(C)c1 2184883 FQCSLIXWCLOGMS-BUVRLJJBSA-N 444.556 5.783 30 40 IKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1cccc(Br)c1 2327039 VTNNTZKPGDKDRD-UWVJOHFNSA-N 428.142 5.185 30 40 IKEB O=[N+]([O-])c1ccc2c(/C=N/c3ccc(-c4nc5ccccc5s4)c(O)c3)c(O)ccc2c1 3139415 ZZUDPWAVPADLNF-DHRITJCHSA-N 441.468 6.187 30 40 IKEB CCc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)c(C#N)c(C(F)(F)F)c1C 5949898 YZQVDLVDBBZKEH-UHFFFAOYSA-N 431.842 5.366 30 40 IKEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1 8433422 OSSJDOZXZQMOCW-UHFFFAOYSA-N 446.469 6.859 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 9242712 ZBQOOGVMABWGQS-XDHUDOTRSA-N 426.907 5.500 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C)c2)nnc1-c1cc2ccccc2o1 10675377 BEMQWCYTUCLTOS-UHFFFAOYSA-N 438.940 5.570 30 40 IKEB Fc1ccc(COc2cccc(/C=N/Nc3nc(-c4ccc(Cl)cc4)cs3)c2)cc1 16669707 SNJGFGOJOYKPDC-LGJNPRDNSA-N 437.927 6.628 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(C)cc1 19827932 PKAPHACYLSPAAN-NTKDMRAZSA-N 435.951 5.573 30 40 IKEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 32501350 NSPKOYAWBNWQTQ-UELZEPHDSA-N 442.515 5.139 30 40 IKEB O=C1C(=C2SC(c3ccccc3)=C(c3ccccc3)S2)CCC/C1=C\c1ccccc1 51329787 JXZLOGWPZAUTDI-FCDQGJHFSA-N 438.617 8.041 30 40 IKEB CCCCCCCCSc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 53291931 XWMSZENHXGPICT-UHFFFAOYSA-N 429.655 6.852 30 40 IKEB Cc1c(C#N)c(NC(=O)CN(C)Cc2nc3ccccc3s2)n(C2CCCCC2)c1C 57290051 YTLCRADGHOEFTP-UHFFFAOYSA-N 435.597 5.162 30 40 IKEB CCCCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 97954681 ZIAWBIRTRVUACD-DEOSSOPVSA-N 445.651 7.396 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 118916323 PXDOMWMSMCFAEF-SSKGIFKBSA-N 444.562 6.254 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 408912649 OIYLFMPADNFOMN-TWIAQIIMSA-N 430.957 5.765 30 40 IKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c1C 408915487 WEPIHEMOPQTIFS-OCSSWDANSA-N 448.522 7.265 30 40 IKEB COc1ccc([N+](=O)[O-])cc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O 408916927 IXGRBOZRTWBFHU-JDJFWADASA-N 435.461 5.001 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2C#N)C1 409083530 VFMJPPIUKBXISY-HEOQCTJZSA-N 433.533 6.690 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCCC2)c2ccccc12 409097952 OKHFAYSKIFOUCF-VULFUBBASA-N 428.414 5.813 30 40 IKEB Fc1c(F)c(F)c(OCOc2c(F)c(F)c(F)c(F)c2Br)c(F)c1F 2362803762 HQMINPCMEQBDOW-UHFFFAOYSA-N 441.043 5.116 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cccc(Cl)c1Cl 1079571 RFQRCRSYHJVAOJ-MRXNPFEDSA-N 432.322 6.296 30 40 IKEB Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1 1446275 OEYYIIQKGKVDPR-NOZRDPDXSA-N 441.512 5.694 30 40 IKEB CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 2790144 GRPWGWOYMSKWNZ-QPSGOUHRSA-N 433.267 5.299 30 40 IKEB C=CCn1c(S)nnc1-c1oc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 8685001 AERHSHISZHOWJM-UHFFFAOYSA-N 425.517 5.477 30 40 IKEB CCN(CC)c1ccc(N/N=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 8965447 RMWZSBQMRHAPTC-RRAHZORUSA-N 443.532 5.102 30 40 IKEB C=C(C)C(=O)N(CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 9235176 IDXJTIWZDBAFJH-LJAQVGFWSA-N 448.651 5.866 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 9461692 XFDTZFCNPVJKED-FPOGMNQUSA-N 429.589 6.091 30 40 IKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1F 13842930 SEZVFNIHWFGPIT-UHFFFAOYSA-N 440.544 5.036 30 40 IKEB CCCOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC 14357131 KWBBPTVVWSVTPF-ZTKZIYFRSA-N 441.575 5.206 30 40 IKEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O 15162650 FBWGKZHVGGZGHK-ZMOGYAJESA-N 436.855 5.418 30 40 IKEB C=CCNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 16195596 ZKWTXZPRBKBDDB-UHFFFAOYSA-N 431.157 5.619 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)c1c(O)n[nH]c1N2 18196408 OSLRUHKYCJWBAF-FVMDXXJSSA-N 432.332 5.442 30 40 IKEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(C)c(Br)c2)c1C 20762300 NHRYZEUXTRGSTL-AFUMVMLFSA-N 426.358 5.297 30 40 IKEB O=C(CO/N=C\c1ccc(OCc2ccccc2Cl)cc1)Nc1ccc(Cl)cc1 33660594 QCJVURGCKSGRRH-MXAYSNPKSA-N 429.303 5.562 30 40 IKEB Cc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c(C(=O)Nc3ccccc3)cnn21 44858690 VBWCYYYQVWBYBQ-QHCPKHFHSA-N 426.520 5.102 30 40 IKEB CCCCCCCCCCCCCCCCNC[C@H](CC)Oc1ccccc1[C@@H](C)CC 100023709 CLIFPJYOATWUDZ-NSOVKSMOSA-N 445.776 9.428 30 40 IKEB CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1cc(Cl)c(Cl)cc1C 100691494 IYWUWJMCFIKXAN-RUZDIDTESA-N 444.531 8.358 30 40 IKEB C[C@H]1CC[C@]23CC[C@H]4[C@](C)(CC[C@H]5[C@@]6(C)CC/C(=N\O)[C@H](C)[C@H]6CC[C@]54C)[C@@H]2[C@@H]1OC3 100930968 SMVBJUJFMSJJCO-NFZFUSAASA-N 427.673 6.927 30 40 IKEB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934397 GCRIWPLHBVKSPY-GFSMJNMISA-N 444.612 5.265 30 40 IKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)o1 408720669 BVVRBGMUMFGAOU-NDENLUEZSA-N 435.461 5.063 30 40 IKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1Cl 408858503 PMFQFKDZBXUWFM-UHFFFAOYSA-N 437.322 6.652 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)N2C)cc1 408910796 HZDXPASWYYFKMO-GRUKXCDCSA-N 433.489 5.705 30 40 IKEB COc1ccccc1OCCCn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 409130928 IVTQGFXXFLXJLG-UHFFFAOYSA-N 437.495 5.582 30 40 IKEB CC(C)Cc1ccc(CN2CCC(c3csc(Nc4ccc(C#N)nc4)n3)CC2)s1 585295111 MBVUHOBVIBBEHE-UHFFFAOYSA-N 437.638 5.793 30 40 IKEB COc1ccc(-n2c(C)cc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2C)cc1 1531384408 GJUKMPCOVSWZFZ-RDRPBHBLSA-N 448.526 5.362 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2scc(-c3ccccc3)c2c1=O 710207 DQHOVHDTVZGBHN-UHFFFAOYSA-N 448.569 5.295 30 40 IKEB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2087351 MLPPBXWEZNLMTN-MRXNPFEDSA-N 445.028 6.530 30 40 IKEB N#Cc1ccc(Sc2ccc(Cl)cc2)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 3104434 ZSQUXEXNJYOSBX-UHFFFAOYSA-N 432.854 6.634 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(C)cc1 3323489 HDZUYLPPPUYYAE-UHFFFAOYSA-N 440.572 5.837 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 4073998 FVWJYYTZTCVBKE-XPHLTCFUSA-N 442.728 6.997 30 40 IKEB biogenic CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 9243280 XKQKLJWHSKBKCX-QHCPKHFHSA-N 446.503 5.335 30 40 IKEB CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 9304653 ZBFJZKMDAYPMIR-DZNDYGJHSA-N 428.557 6.280 30 40 IKEB COc1ccc(/C=C/C(=O)c2ccccc2O)cc1COc1ccc(Cl)cc1Cl 13786601 SRBZODNUWJWOPZ-RMKNXTFCSA-N 429.299 6.183 30 40 IKEB Brc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 59471642 JURCQCLMERDIMU-QDMJJKQJSA-N 429.361 7.026 30 40 IKEB COc1c2c(cc3c1[C@H](CC(/C=C\[C@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 100747032 SVSPODGIYWQUSW-GHUWHLSHSA-N 426.557 5.112 30 40 IKEB biogenic CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OC(F)F 101284793 SZGZIWUUEJACFQ-LJQANCHMSA-N 434.487 5.072 30 40 IKEB Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)c(C#N)c1-c1ccc(C(C)C)cc1 102341460 USOLBVYBTREFQK-GPHNJDIKSA-N 434.561 5.570 30 40 IKEB CCc1ccc(-c2cs/c(=N/C)n2/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1 103459334 YMRICRAMKBKBTR-XWIDLWJRSA-N 426.589 5.960 30 40 IKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([S+](C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118933470 QQEZWWWECVMYAM-JZQQPFIGSA-N 431.794 8.274 30 40 IKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O 256454172 XTDMMOAGCXHNPN-LTGKBQHQSA-N 442.728 7.738 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(F)cc3)N(CC)C2=O)cc1Cl 409011600 NUNYPWNTGPXYKF-XNJRNFBTSA-N 432.948 6.280 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OCC)c1OCc1ccccc1 409021910 FMZPJZIPAHSYFT-PXLXIMEGSA-N 437.561 5.838 30 40 IKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(F)cc1 409068075 HFKWIBKVSKRNLH-JVWAILMASA-N 434.467 6.191 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccn1-c1ccc(F)cc1 409297530 WWRISYMXZWOSNA-UHFFFAOYSA-N 448.457 5.622 30 40 IKEB CCOc1c(Cl)cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1Cl 409300069 UIDXIMFWXZYPMU-UHFFFAOYSA-N 444.362 6.032 30 40 IKEB Cc1ccc(-c2ccc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)o2)cc1Cl 409305086 MSKZNMBLHIHKPX-UHFFFAOYSA-N 445.950 6.548 30 40 IKEB O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)Sc2ccccc21 409318605 YXEPHVLEQVCOOK-CIAFOILYSA-N 441.321 6.497 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2I)cc1OC 409383091 ZDFTVKAICJOMPF-WLQYJRLHSA-N 443.712 5.881 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1OC 2168266 QLXKSMIXXCMNAE-DMDNQVQLSA-N 442.968 5.764 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 2248001 LDLLRVFVYKVZDF-UHFFFAOYSA-N 428.601 6.244 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1 3098431 AVKQDJNVEBZLAT-VWLOTQADSA-N 431.532 5.187 30 40 IKEB C=CCOc1ccccc1/C=C1\S/C(=N\c2cc(C(F)(F)F)ccc2Cl)NC1=O 8820744 UXRLSGHYTGJOTO-YVLHZVERSA-N 438.858 5.815 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 8934394 DOZLOPNZJUFYJT-UHFFFAOYSA-N 435.552 6.327 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)nc1 8964942 BZQQVSFEXJEGBF-UHFFFAOYSA-N 434.468 5.135 30 40 IKEB O=C(CO/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1Sc1ccccc1 12565849 VHFNYIOGAYJDOI-ZMOGYAJESA-N 431.344 6.134 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 12574545 LKGXJJIBINYLSI-CVKSISIWSA-N 442.523 5.089 30 40 IKEB N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Br)cc3s2)cc1 16838748 QTJIEAXOJBMMIP-UHFFFAOYSA-N 449.333 5.172 30 40 IKEB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H](C#N)[C@@]2(O)C1 20028375 IKAYYSYGCHKPAB-QBOLOTAASA-N 443.716 6.987 30 40 IKEB CC[C@H]1CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3c(C)ccc(C)c3c21 31778257 ZASYPLFQBLFUIG-MEZKORTJSA-N 432.480 6.377 30 40 IKEB Cc1ccc(OCc2nc(C#N)c(NC[C@H](c3ccccc3)N3CCCCC3)o2)c(C)c1 35671556 IHMYCMCEVHEOIR-HSZRJFAPSA-N 430.552 5.381 30 40 IKEB COc1cc(/C=N/Cc2ccco2)ccc1OC(=O)c1sc2ccccc2c1Cl 59500691 XJXOFHMCHSKWMC-WYMPLXKRSA-N 425.893 5.995 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(Cl)cc1 100355376 DCFHCQYWHWVOGA-MEFGMAGPSA-N 438.125 7.619 30 40 IKEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](/N=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2/N=C/c1ccc([N+](=O)[O-])cc1 100364910 AXCIBLMNRMNTNI-WCQFAPGWSA-N 434.496 5.234 30 40 IKEB CCOc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102501568 MHYAJTQWIMJGKN-HOGKFDNTSA-N 433.891 5.365 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@@]3(C)C(=O)CC[C@H]43)C2)cc1 253597586 HNTMKSKJRZRWKS-CIVXJXOFSA-N 444.637 5.681 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 408634793 URSLHAZPEWONOQ-BOPFTXTBSA-N 432.295 5.373 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1Cl 408738897 PSTRSVMBZFHNRD-NHDPSOOVSA-N 439.943 6.087 30 40 IKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1cn(Cc2cccc3ccccc23)c2ccccc12 408930671 AKXRYUIPZURVEG-AJBULDERSA-N 445.566 6.430 30 40 IKEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409229076 JKJPHSUQQSTJOV-KOEQRZSOSA-N 449.532 5.342 30 40 IKEB O=C(COc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1F 409383146 UVTSHNRFLKGCRO-MSXFZWOLSA-N 427.819 5.155 30 40 IKEB CC1(C)OB(c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)OC1(C)C 514250870 XYVQZTRPJLVQRI-UHFFFAOYSA-N 444.383 6.349 30 40 IKEB O=C(N(Cc1ccccc1)Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1817168 VESMOZAZGAECCZ-UHFFFAOYSA-N 443.309 5.684 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 1841737 FGXPVGUXUBIJTC-HKOYGPOVSA-N 436.621 6.934 30 40 IKEB O=C1C(=Cc2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)C(=O)c2ccccc21 2277816 QPHDPYNZEDTMOP-UHFFFAOYSA-N 444.895 6.237 30 40 IKEB CC1=C(C(=O)Nc2ncccc2C)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 4075230 OMRFIMYKQSDBHP-IBGZPJMESA-N 442.346 5.303 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2ncccc2c1 6136064 UPCHTFZTFAPMCZ-JXAXBCJLSA-N 430.558 5.395 30 40 IKEB CCn1c(/N=C/c2c(O)c(C(C)(C)C)cc3oc4c(c23)CCCC4)nc2cc(C)c(C)cc21 8387131 DWPZGMQPYAXYQM-WKULSOCRSA-N 443.591 7.052 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccccc1Cl 8811394 NPJUVTZMXYPIAC-VULFUBBASA-N 429.347 6.095 30 40 IKEB COc1ccc(OC)c(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1 8915578 JPSDLUAOCROINT-CJLVFECKSA-N 443.499 6.056 30 40 IKEB CCOc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)cc1 12482460 IRMHCGNJRJNZAV-BYYHNAKLSA-N 439.584 6.738 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1)c1cccc([N+](=O)[O-])c1 12569777 GVYSCUSODSTESF-VULFUBBASA-N 446.850 5.462 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C(C)=O)cc1 16321924 LTQGDSXGVRPJHL-SRZZPIQSSA-N 437.131 5.730 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1ccccc1 21722081 YTQOWEQCYKXAEZ-SANMLTNESA-N 437.543 6.535 30 40 IKEB Cc1ccc(Sc2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)cc1 32828857 HYCGMZNNNSECJW-NRFANRHFSA-N 449.532 5.267 30 40 IKEB COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl 33445506 JMAFGXRPDSOBSB-VCHYOVAHSA-N 425.311 6.403 30 40 IKEB CCCCCCCCCCC([C@H]1CCC[C@H]2CCCC[C@H]12)[C@@H]1CCC[C@H]2CCCC[C@@H]21 100301675 BMIYKWRBLFKRLB-NAASCENESA-N 428.789 10.346 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)cc2)cc1 198080769 VYYVYIQJGJIFEM-CJHIPLPSSA-N 428.576 7.269 30 40 IKEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 224378317 XZQZAXHHVZOPSO-NRFANRHFSA-N 448.588 5.176 30 40 IKEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 225057264 FOWOSQCNRIEALZ-UHFFFAOYSA-N 429.541 5.800 30 40 IKEB C=CCN(CC=C)C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408735459 QELBILFNFPMROZ-UHFFFAOYSA-N 434.568 6.460 30 40 IKEB CC(C)(C)[C@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1cccc(Cl)c1 408920507 JLGYCEBZDHTALE-CQSZACIVSA-N 448.766 5.110 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c1C 408959871 HFZFRNLNNDIDQO-HMAPJEAMSA-N 433.552 5.996 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)c1C 408967351 QBJUNQVQIGMCMA-MWUCKACSSA-N 433.552 6.029 30 40 IKEB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 409039365 GJZDELJIKIQDNQ-UHFFFAOYSA-N 436.552 5.690 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(N(C)C)cc1 409102200 VFMFKQCSOCDHHF-LGJNPRDNSA-N 445.445 5.533 30 40 IKEB C=CCc1cc(/C=C2\C(=O)Nc3ccccc32)cc(OCC)c1OCc1ccccc1C#N 409109632 ILFQRHGQNUMLGY-IWIPYMOSSA-N 436.511 5.757 30 40 IKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 409116147 KXVUKSYDHZYEAE-UHFFFAOYSA-N 437.967 6.667 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 409203336 XGCFGOWXSHYDEK-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C 409208252 BKQVNSRXOISNBN-SRZZPIQSSA-N 425.164 6.368 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409209150 GBOIPYSBYMNVEV-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccccc1 409214296 WMZKFXNMVREYTA-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1ccc(OC)cc1 409243086 VHLFIQOAPXVGPI-IZSQXYTLSA-N 449.488 5.487 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)c(F)c2)S1 409248669 HWHPQPNCOLVXOP-DEDYPNTBSA-N 429.948 5.669 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 409362664 SGVRIEJNFRRGJI-UHFFFAOYSA-N 445.013 5.282 30 40 IKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nc2c1 2166306 ZUXCKQDXJCPZCG-CCVNUDIWSA-N 447.321 8.121 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2nc3ccccc3n2C(C)C)cc1 6079576 CVZAIBUDSGPUEU-PCLIKHOPSA-N 432.549 5.477 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(F)c1)c1ccccc1 8438703 VSLOTBYHIRQVRY-DEOSSOPVSA-N 440.474 5.128 30 40 IKEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3cc(C)ccc3C)ccc2C1=O 8917836 VTCLAYRVPPCBBN-ZRGSRPPYSA-N 446.499 5.524 30 40 IKEB biogenic CCc1cccc(C)c1/N=C1/N=C(N2CCOCC2)N(c2ccc(C)cc2)C12CCCCC2 9113833 AXAIDBXKQHQGMY-PBBVDAKRSA-N 444.623 5.807 30 40 IKEB C=CCN(C(=O)COC(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1 13095791 HPTWUHLOZKAVNL-UHFFFAOYSA-N 446.450 5.205 30 40 IKEB Cc1ccc(C(=O)Oc2ccc([C@@H]3Sc4ccccc4NC4=C3C(=O)CCC4)cc2)cc1 14671924 OTFFSGCLWOZGJS-SANMLTNESA-N 441.552 6.480 30 40 IKEB COc1ccc(Br)c(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1 15015733 YPZAXSICXQQUND-PXNMLYILSA-N 437.746 5.311 30 40 IKEB CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1OCC)CCC2 15945635 YUNCRGUVZOMIDE-WGOQTCKBSA-N 434.561 6.037 30 40 IKEB CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)cc1 18137736 YLVQJVLMIZPQBO-UHFFFAOYSA-N 426.545 5.392 30 40 IKEB COc1ccccc1CN/N=C/c1cccc(OCc2ccc(Br)cc2)c1 20762242 JOVRGPBYYVJSGO-ZVHZXABRSA-N 425.326 5.160 30 40 IKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 20762975 MGCJFTRDXNFSLZ-LGJNPRDNSA-N 445.346 5.713 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccc(F)cc1 20763255 BFIYVDPCYAAICX-MZJWZYIUSA-N 442.918 5.589 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1cccc(F)c1 21722747 VPGWWVZGGHPBTM-VWLOTQADSA-N 447.535 5.506 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1ccc(Br)cc1 27015918 CGAQXGVRCMLNQF-FLFQWRMESA-N 442.382 5.664 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)c2ccccc21 28182604 WPOMVAFQPOBABC-QFEZKATASA-N 443.930 6.818 30 40 IKEB COc1cc(/C=N\Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 32227803 DSLFHPZLAIYBQG-ROTLSHHCSA-N 445.302 5.725 30 40 IKEB COc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 59303340 ITLDANMEPWHSFU-BRJLIKDPSA-N 439.851 5.075 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O 59387306 HGQREQVFYITSMS-UHFFFAOYSA-N 444.369 5.128 30 40 IKEB C=C(C)COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 96115510 LKRCLRWRIKGYHO-UHFFFAOYSA-N 445.475 5.238 30 40 IKEB biogenic CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 100249851 KRWOECHNXKCWSI-UHFFFAOYSA-N 432.590 5.137 30 40 IKEB N#Cc1c(/N=C/c2ccccc2)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 106541868 RJGFJFMJWCEJKX-XODNFHPESA-N 436.423 5.693 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)/C(=N/O)C[C@]4(C)[C@H]3CC[C@@]21C 118931833 PATCHQOVVGUAJQ-HXOPCAEHSA-N 441.700 7.673 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\S[C](Nc2cc(Cl)ccc2C)NC1=O 408820741 YJSDWHKELKDZAB-UHFFFAOYSA-N 433.940 5.577 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(I)cc2)c1C 408966820 NQRUQNUXMIBSCK-UCQKPKSFSA-N 428.317 6.012 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C/c2ccc(N3CCCCC3)cc2)sc2c1CCCC2 409085727 ZTOZTFXFHUMEAC-OGLMXYFKSA-N 447.604 5.891 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409100647 RGKVMMIWMIQAIZ-NSKAYECMSA-N 443.303 6.338 30 40 IKEB CC[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409291019 OFJRAQNSZXPNTQ-IBGZPJMESA-N 446.595 5.570 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OC 409338806 BKFMVCQTNMLYQF-ZHZULCJRSA-N 441.574 5.237 30 40 IKEB N#Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)s1 585294702 UGBDLTHGKSERSU-QFIPXVFZSA-N 445.592 5.812 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(O[C@H](C)CC)c1 1531236113 PMZHAQVQVANPGS-LZCVXGSNSA-N 442.357 5.171 30 40 IKEB Cc1ccccc1OCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C#N 871372 YELCHODZDWVQND-UHFFFAOYSA-N 433.533 5.123 30 40 IKEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 888427 DWCKHBZQQRHTPL-OAHLLOKOSA-N 438.622 5.385 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2393562 YSIVHXSECDPAID-UHFFFAOYSA-N 429.568 5.473 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 2734123 ADJNNHIPEIGAFE-HXNPFYCNSA-N 428.557 6.511 30 40 IKEB Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccccc3)C3=C2c2ccccc2C3=O)cc1 3671309 SKIJVPGAWKSSJO-AREMUKBSSA-N 445.562 6.850 30 40 IKEB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1 8441070 QXXILLMRHBKSDT-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nccs2)cc1 8739880 YLLYBCVDOLFYLA-FQEVSTJZSA-N 434.517 5.022 30 40 IKEB O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc(Cl)ccc1OCc1ccccc1 8934201 BJLHGORFIZVQSD-SOFGYWHQSA-N 441.310 6.335 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 9019404 WPKZLRUQCYVOOI-QHCPKHFHSA-N 445.515 5.364 30 40 IKEB COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1S[C@@H](C)C#N 9209121 BLQNXUMHAQWJRA-SFHVURJKSA-N 442.544 5.526 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1c[nH]c3ccccc13)n1nc(C(F)(F)F)nc1N2 9329706 CKVDPHQYKOMKDF-SZNDQCEHSA-N 449.436 5.194 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3Cl)n2)cc1 9421996 DHJOABMMRLMLHC-UHFFFAOYSA-N 434.870 6.593 30 40 IKEB COc1ccccc1/C=N/n1c(COc2cc(C)ccc2C(C)C)nc2ccccc2c1=O 16291138 MUKPMFXFAQAFRS-LQKURTRISA-N 441.531 5.298 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 27229338 XZZREPGMDDOHPE-LICLKQGHSA-N 438.858 5.815 30 40 IKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N\Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c1 33921177 DEXHNMVTDNITDK-FFFWXYFFSA-N 447.266 5.876 30 40 IKEB FC(F)(C(Cl)(Cl)Cl)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl 95682116 ZUBPFQXYAINABF-NCGGTJAESA-N 436.768 6.268 30 40 IKEB CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(C=O)cc21 100299163 ZVQJNVBHJBLVSX-UHFFFAOYSA-N 446.675 9.079 30 40 IKEB in-vitro COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)cc1 105512941 QVYSZSMDRFLBPE-UATBHUBDSA-N 426.564 6.169 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 253498636 FVWJYYTZTCVBKE-NUVSBHSESA-N 442.728 6.997 30 40 IKEB biogenic O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2)N1CCc1ccccc1 408910854 LUMFEHSHQPEYCM-OQNHBUHUSA-N 428.513 5.262 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccc(O)c(O)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 408918659 NIDRKNQNYQRVDZ-RWPZCVJISA-N 440.455 5.664 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1O[C@H](C)CC 408960673 HSPACYTWEAJCOE-OOWUWCJESA-N 444.984 6.116 30 40 IKEB COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 408965109 GPPPKODYJSCPMS-ZMOGYAJESA-N 440.293 5.486 30 40 IKEB N#CCOc1c(Cl)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531383328 FNYUKODDVNCKEH-MZJWZYIUSA-N 449.297 5.155 30 40 IKEB N#Cc1c(NC(=O)c2ccc(Cl)cc2)n(Cc2ccccc2)c2nc3ccccc3nc12 3267554 XLELWPPGOTZGKX-UHFFFAOYSA-N 437.890 5.410 30 40 IKEB CCCCCCCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2=O 8453875 COXXMAXAHUIFES-UHFFFAOYSA-N 436.684 8.647 30 40 IKEB C=CCN(C(=O)CSc1nnc(-c2cccs2)o1)c1nc(-c2ccccc2)cs1 9509224 BUDDXGUXBPWESQ-UHFFFAOYSA-N 440.575 5.233 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1C 13286232 MRMVEXZDGFXVGY-YJOHERITSA-N 444.025 6.423 30 40 IKEB CCOc1ccc(NC(=O)c2c(/N=C/c3ccc(OC)cc3)sc3c2CCCCC3)cc1 15945619 OSQAUPZYYKUQFN-WPWMEQJKSA-N 448.588 6.427 30 40 IKEB CCCCCCOc1ccc(/C(=N/OC(=O)Nc2ccccc2)c2ccccc2)c(O)c1 16638257 IULLHUVNUOPKRZ-AZPGRJICSA-N 432.520 6.352 30 40 IKEB CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 16729031 UGBNZPZDBMGBRN-UHFFFAOYSA-N 448.897 6.983 30 40 IKEB COc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O 32114566 CNZKLPGQCNOALY-LGJNPRDNSA-N 434.879 6.112 30 40 IKEB O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N\N=C/c2ccc(Cl)cc2)N1Cc1ccco1 39237442 DCUGRKVJPDVMFU-NVSRCQEDSA-N 441.915 5.149 30 40 IKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1 72305321 QBXBEBVLSQZLFW-DQEYMECFSA-N 444.604 5.716 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 96803920 APARRRRJBVTTQW-SHSCQTOKSA-N 429.501 5.069 30 40 IKEB CCCCCCCCCCCOC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1 98001354 CRKFNRNVXLLMSV-UHFFFAOYSA-N 445.688 8.453 30 40 IKEB biogenic COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC 103151301 RBRZIZZMGSUBAI-BVGVAWRYSA-N 444.556 6.129 30 40 IKEB F/C(=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 103531244 GRZMQPOXEUGMEV-IWQZZHSRSA-N 446.100 6.531 30 40 IKEB C=CCSc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 225317940 XFSZTKZTQTXZPF-UHFFFAOYSA-N 434.011 6.014 30 40 IKEB CC(C)(C)c1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)cc(C(C)(C)C)c1O 409013979 OGXNKEMGBYQZBJ-QQXSKIMKSA-N 438.593 5.453 30 40 IKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1cccc(Cl)c1 409109611 ICHGMHWLSSTJAI-UHFFFAOYSA-N 437.967 6.667 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 409211152 IDMDROPMLDYTBU-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 6245929 JSBUOWYSNODNEZ-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB Cc1cc(C(F)(F)F)nc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C#N 8430487 NAMLXOBGISPGOC-BUBBNXEVSA-N 437.531 5.094 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1F 9259336 OTZXKQCVSZMKLX-SSDVNMTOSA-N 431.265 5.350 30 40 IKEB C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccc(F)cc1 9725663 UGWQYNQJSQUZJY-UHFFFAOYSA-N 426.517 5.825 30 40 IKEB Cc1ccc(/C=C2/SC(=S)N(/N=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 12273879 IVPFVTFQOUFMCQ-WCEDTRLTSA-N 449.513 5.399 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1 12564696 OTBCYVXLJLACDT-DTQAZKPQSA-N 429.317 6.198 30 40 IKEB N#CC1(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 13635570 GIMPXNKAJBQLLQ-RMTZWNOUSA-N 435.914 5.750 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)SC1=S 16268464 JPSNDBIGCHQUHO-XQNSMLJCSA-N 430.598 6.148 30 40 IKEB Cc1cc2ccccc2c(/N=C/c2cc(Br)cc(Br)c2O)c1C#N 17025246 NHWRJSZLHORWDI-AUEPDCJTSA-N 444.126 6.001 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccccc1C#N 20763261 DWRQUZFAWPOAAI-RWPZCVJISA-N 449.938 5.322 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1ccc(F)cc1 21722057 XTHBDTKCZISFML-RUZDIDTESA-N 447.535 5.506 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1OC 27015934 YUNPFLNEIAXJAO-QPLCGJKRSA-N 445.544 5.797 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3nc2Cl)ccc1OCCc1ccccc1 32647143 PSSCVHIQBPWRBU-WGOQTCKBSA-N 432.911 5.359 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)NC2=O)cc(Br)c1O 33795447 IZLHGUSAPDPEFD-BOPFTXTBSA-N 447.354 5.007 30 40 IKEB O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccnc3)c2-c2ccccc2)cc1 100477798 AGQMCXXJTPDOAE-NDZAJKAJSA-N 444.494 6.865 30 40 IKEB CC/C(=N/CCc1ccccc1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 100700502 XQDIFZJEMMZGMK-YSMPRRRNSA-N 444.482 5.236 30 40 IKEB CCOc1ccc(/N=C2\SCCCN2C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 103032958 HKSMESIJIHQPHN-HWKJUCOASA-N 447.604 5.958 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)CC(=O)C[C@H]43)C2)cc1 245239373 IFADLLNZMJESQF-URVDTTISSA-N 444.637 5.681 30 40 IKEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O 408535776 WJXLQXGUHJKDIC-PDGQHHTCSA-N 430.323 5.250 30 40 IKEB CCN(CC)c1ccc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc1 408749804 UOIHLKMZZBYUTK-QGOAFFKASA-N 430.371 5.187 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1 408967257 UCKKSCWISRZZLX-ODLFYWEKSA-N 429.328 6.453 30 40 IKEB O=C(O)c1ccc(COc2c(Cl)cc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409068786 VQEOCTRJIWVKRZ-BHGWPJFGSA-N 445.258 5.929 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 876572 BYOAWBJIXZAHMY-JOCHJYFZSA-N 441.358 5.908 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C\c2ccc(C)cc2)C(=O)N1c1ccccc1CC 2081631 VXHMWLUKQHOKRS-ZEHKLFRWSA-N 426.585 6.928 30 40 IKEB C#CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2 2294130 GYIIWBFUWQUOAX-UHFFFAOYSA-N 442.584 5.391 30 40 IKEB biogenic Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)cc1 2557141 HNTMKSKJRZRWKS-METIKLJUSA-N 444.637 5.681 30 40 IKEB COc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)S2)cc1 4788333 GXWCLHZQMFPTCJ-UYRXBGFRSA-N 443.450 5.396 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cn(Cc2ccccc2)c2ccccc12 9076594 RMLBGMFCDVYUDB-GDLZYMKVSA-N 447.582 6.912 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(F)cc2)cc1OC 12574521 PGWHMFIDDNVGDA-GXDHUFHOSA-N 428.463 5.592 30 40 IKEB Cc1c(Cl)cccc1NC(=O)C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 13811488 UGGUTOLLNRURJV-UHFFFAOYSA-O 435.762 5.296 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)NC1CCCCC1 14134260 LYUASFSRDGWMAP-UHFFFAOYSA-N 442.629 5.016 30 40 IKEB Cc1cc(C)c(NC(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)c(C)c1 16956459 WFSVIJCKXSPAOO-UHFFFAOYSA-O 429.371 5.260 30 40 IKEB COc1ccc(CN/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1OC 20196203 JTZKXVXMUSHCDB-LGJNPRDNSA-N 432.351 5.542 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 20646680 DBGDDNVVIJTJOT-PCLIKHOPSA-N 432.564 5.902 30 40 IKEB CCCOc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 27019103 MLVZRIFGYOXTAR-LYBHJNIJSA-N 439.555 7.338 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O 59224374 OXGWWZZNBRYUJT-HMAPJEAMSA-N 432.932 5.705 30 40 IKEB CCOCCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2C)S/C1=N\c1ccccc1 100328503 JTKJPGWNQOYENL-GJHWIIEUSA-N 449.620 5.626 30 40 IKEB C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCc1ccccc1Cl 107645700 SBCDDYPAIAFCAI-UHFFFAOYSA-N 429.973 5.696 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)S2)c(C)c1 408723800 ORZOJSYAOUOVOI-OEAKJJBVSA-N 448.975 6.427 30 40 IKEB CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(Br)cc3C)NC2=O)o1 408819684 REMHWDDWFLRZJN-WJDWOHSUSA-N 434.359 5.088 30 40 IKEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C(=O)N1CC 408929202 IGRGWJWNKXXEOU-SGFRRPFJSA-N 449.403 6.193 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(Br)c4)o3)S2)cc1 408966288 ZHQZTDXQOBBFKM-XDHOZWIPSA-N 439.334 5.909 30 40 IKEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1Cl 409149844 SEXROUJCBKUACS-JOMPAZHXSA-N 447.321 5.220 30 40 IKEB Cc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1C 409209176 HNLXIKYJRNXVJQ-LQKURTRISA-N 444.372 7.549 30 40 IKEB CC(=O)n1c(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409281218 NFMGJQSMSNEDJW-UHFFFAOYSA-N 426.520 5.250 30 40 IKEB O=C(C1=C2NC(=O)c3c(sc4c3CCCC4)N2Cc2ccccc21)c1ccc(F)cc1 2262077 OZZVVJLELNATTI-UHFFFAOYSA-N 430.504 5.081 30 40 IKEB O=C1CCCC2=C1C(c1ccc(OCc3ccc(C(=O)O)cc3)cc1)C1=C(CCCC1=O)O2 2486820 XXJQSKGRPNDEAN-UHFFFAOYSA-N 444.483 5.092 30 40 IKEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 3374701 HPGHIXTYWJLKFC-UHFFFAOYSA-N 434.561 5.444 30 40 IKEB COC(=O)[C@@H]1C2=C(C(=O)CC1(C)C)[C@@H](c1ccc(C)cc1)c1c(ccc3ccccc13)N2 4708001 UTTGRLMJBOCISR-DHLKQENFSA-N 425.528 5.748 30 40 IKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2c(F)cccc2Cl)C3)cc1 8781989 IQUCGUDURTXEDY-QMTYFTJSSA-N 448.925 6.467 30 40 IKEB CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/c2nnc[nH]2)cc1 8842882 QFWNIMNQASCRKV-LJGKHRNASA-N 443.345 5.289 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(=O)c1ccc(F)cc1 8965444 VTJPSTIBDKHSKF-UHFFFAOYSA-N 442.490 6.540 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1OC 9281437 HBDJKSMKQDVIJF-JJFYIABZSA-N 436.847 5.193 30 40 IKEB CC1(C)Cc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C#N)C(C)(C)N1 9639934 GHZXOCIIGGLLQE-UHFFFAOYSA-N 429.998 5.900 30 40 IKEB Cc1cc(C(=O)CSc2nc(CCc3ccccc3)c3c(c2C#N)CCCC3)c(C)n1C 12635193 UOQGWCMGHZOHRI-UHFFFAOYSA-N 443.616 5.548 30 40 IKEB N#Cc1ccccc1-c1ccccc1C(=O)O/N=C1/C(=O)c2ccccc2C2=C1CCC=C2 15922481 PGPXJVICXZIRTF-URGPHPNLSA-N 430.463 5.738 30 40 IKEB C[C@H](CCCN(C)C)/N=C(/Nc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 16889859 XXETWMIQCOKGMT-MRXNPFEDSA-N 429.395 6.131 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)c1c(O)n[nH]c1N2 18196299 ODBVGGMSUOTQOO-XYZCENFISA-N 432.332 5.442 30 40 IKEB Cc1ccc2c(c1)/C(=N\Nc1nc(-c3ccc(Cl)cc3)cs1)C[C@H](c1ccccc1)O2 31939355 BQQIHSWUTSRNBS-DHHFVULLSA-N 445.975 7.112 30 40 IKEB COc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCc1ccccc1Cl 96193668 IAJRUDQSVYHTHD-AUWJEWJLSA-N 436.689 5.006 30 40 IKEB CCCCn1c(/N=C/c2ccc(N(C)C)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176678 CPQPOTZRQGTCLS-WEMUVCOSSA-N 446.598 7.310 30 40 IKEB O=C1C[C@@H](S/C(=N\c2ccccc2)Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1 100511130 CBLHHUBFBGJLOQ-HXUWFJFHSA-N 435.936 5.505 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408673952 WIESXPJQMMLAAM-OTLGMJNYSA-N 438.612 6.082 30 40 IKEB C=CCN(CC=C)C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408735987 ZIJAXDXBSDEYOI-UHFFFAOYSA-N 435.552 6.427 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC(=O)c4cccc(F)c4)c3)S2)cc1 408887921 SCOLEOFSGVXPDI-BKUYFWCQSA-N 432.476 5.245 30 40 IKEB C=C(C)COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1OCC 668379 HLSWMJHZZOXFEW-ZDLGFXPLSA-N 442.309 5.147 30 40 IKEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1sc2ccccc2c1Cl 727909 QSSDXYKFFJCJEN-UHFFFAOYSA-N 425.966 5.974 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)c2C#N)C1 2081517 AEUQPGDABIMYAX-FWVUHSSSSA-N 438.593 5.830 30 40 IKEB C=CCn1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 2163067 ATHHIMMRTKFDOV-AJGXWLHTSA-N 435.552 6.636 30 40 IKEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8821074 DBIMTMJTKYPDKC-HYARGMPZSA-N 441.468 5.900 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2cc(C)c3ccccc3n2)n(Cc2ccco2)c1C 9245682 LIDYPJUDHWFTSH-UHFFFAOYSA-N 430.533 5.205 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 9311706 JSRJTDRTOMCTPD-WQRHYEAKSA-N 448.327 5.251 30 40 IKEB CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(CCCC)cc2)S1 12194667 GVCOBXZNLSJPRX-HXTHCWADSA-N 437.609 5.372 30 40 IKEB COc1ccc(C2=NN([C@H](C#N)c3ccc(Br)cc3)[C@@H](c3ccccc3)C2)cc1 12362835 NJYDEZOSBWRDCZ-DNQXCXABSA-N 446.348 5.874 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2Br)S/C1=C\c1cc(Cl)ccc1O 13915109 HGQKWBZYWULULP-NSIKDUERSA-N 444.137 5.353 30 40 IKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(Cl)c1 14271484 BMOGXRCRGOJKIF-ZDUSSCGKSA-N 446.041 5.859 30 40 IKEB CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)S/C1=N/c1cccc2ccccc12 16189438 BQLAPSVLVYMZJW-ZKZPFDSASA-N 439.540 5.583 30 40 IKEB CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccnc2)cc1 18198748 SABLQFQNCHYDFP-XMMPIXPASA-N 426.516 5.516 30 40 IKEB COc1ccccc1/C=N/c1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 59463697 AVZCZEUQHMQXOO-MFKUBSTISA-N 429.501 6.453 30 40 IKEB CCOc1cc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1O 59484326 CGXSDCKIYJXGHR-WGOQTCKBSA-N 429.545 6.336 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccc(OC)cc1 97466916 WEIVKJJCZYEXGE-PQUPTFKKSA-N 437.348 5.722 30 40 IKEB CCCCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 102562009 SAJPLXWOSTUSKM-UHFFFAOYSA-N 438.439 7.421 30 40 IKEB O=C(CC/C(C/C(=N/O)c1ccc(F)cc1)=N/O)N(Cc1ccccc1)Cc1ccccc1 102985395 NWEHDIQJVKGIOJ-OYUJONNZSA-N 447.510 5.234 30 40 IKEB CCCCCCCCCCCCCCCCCCSc1ccc(Br)cc1 104134576 FZBCNNRFSMKLEB-UHFFFAOYSA-N 441.563 9.803 30 40 IKEB C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OC)c1OCc1ccc(F)cc1 408595237 LMLGFOMNVUWANG-MUFRIFMGSA-N 430.479 5.564 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1ccccc1Cl 408751337 ZDNWNZUJOLJXJH-VROXFSQNSA-N 447.278 5.330 30 40 IKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)cc1 408979165 PJIBONOJISBLJV-PDGQHHTCSA-N 444.314 5.435 30 40 IKEB CCCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(OC)cc2)NC1=O 409005610 FNSJLDBUVOJQBG-XQNSMLJCSA-N 432.545 5.919 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccco1 409073755 SXTZJKKAPBAYGO-ZMOGYAJESA-N 433.489 5.385 30 40 IKEB Fc1cnc(Cl)nc1Oc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2s1 409075737 ZXTDMHYTZNBKBT-KBKYJPHKSA-N 449.898 6.270 30 40 IKEB CC(C)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 996803 BDVUPDOPKYNLCH-BIPTWJSYSA-N 449.498 5.419 30 40 IKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 2331715 JKLBFRGBEQXBAW-UHFFFAOYSA-N 439.393 5.154 30 40 IKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCCCCC 2425314 CLJDCTCTTMXGEQ-UHFFFAOYSA-N 433.600 6.154 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1 8427294 SOJWXQRJMSRMIK-SSDVNMTOSA-N 438.237 5.622 30 40 IKEB O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 8715661 FACFRSNELMLMHL-HXUWFJFHSA-N 440.337 5.360 30 40 IKEB CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl 9504838 VFAGDEBNSOPEPN-HXUWFJFHSA-N 437.971 5.632 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(O)cc3)c2-c2ccccc2)cc1 16311376 MLLGTQQREOCXHJ-NJZRLIGZSA-N 428.535 7.576 30 40 IKEB COc1ccc([C@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)cc1[N+](=O)[O-] 33903889 IEXVMBAURGKIMU-INIZCTEOSA-N 444.531 6.285 30 40 IKEB O=C(/C=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1cccc(OC(F)F)c1 36611170 ZPQAZEVZUSWPEK-VOTSOKGWSA-N 442.311 5.913 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\CCc1ccc(Cl)cc1 89410302 IKMKXVZBYOVMAE-YWNZOVFCSA-N 449.403 5.545 30 40 IKEB C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 96023629 TYAFBMTZMSJDIO-LOCPLYNGSA-N 430.673 5.496 30 40 IKEB biogenic CCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)C[C@@H](c2ccccc2)CC1=O 100140346 RBAJGAYYGOVLAB-JOCHJYFZSA-N 449.591 5.386 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CCCC4)c2C)cc1 100211994 GTRAFJCGTKMPJE-JFLMPSFJSA-N 431.561 5.833 30 40 IKEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 102858717 DZUPHVCNUFEGNO-HOGKFDNTSA-N 448.906 5.150 30 40 IKEB CN(C)c1ccc(NN=C2SC(=N/c3ccccc3)/C(=N\c3ccccc3)S2)cc1 104311810 FJWOBPMTNRHOOZ-VNABVMDTSA-N 431.590 6.376 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1Cl 409213918 UJLUUHFJRFVBJQ-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Br)c(Cl)c2)cc1OC 409379157 VBSXMELNWWOBBT-WMJRALALSA-N 431.157 6.692 30 40 IKEB O=C1C2=C(NC(SCc3cnc(Cl)s3)=N[C@@H]2c2ccccc2F)c2ccccc21 1406993 PHTZGMYJYIDWCB-GOSISDBHSA-N 441.940 5.477 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Cl)c2C#N)C1 2158553 VPCGIDJRNCSMPJ-CYBMUJFWSA-N 446.041 5.941 30 40 IKEB CCc1ccc2oc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3O)nc2c1 3032423 KLLOLVLNKIRTGJ-BHGWPJFGSA-N 437.839 5.781 30 40 IKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCC1 4028949 FSLAVQGJZYEXIY-BJDRNOHOSA-N 427.629 6.150 30 40 IKEB biogenic N#C[C@H](C(=O)CCCC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl 8655410 BQXODNMEUYOOAQ-AWEZNQCLSA-N 444.145 6.285 30 40 IKEB Cc1ccc(C(=O)Nc2sc(N/N=C/c3ccc(O)cc3)nc2-c2ccc(C)cc2)cc1 8867493 IXWWPOFRVMUHEY-CVKSISIWSA-N 442.544 5.831 30 40 IKEB COc1c2c(cc3c1[C@H](C/C(=N\O)C1=CC[C@H](CCC=C(C)C)CC1)N(C)CC3)OCO2 8917797 PBRQQVMWXPODJH-BHXSFXPRSA-N 440.584 5.646 30 40 IKEB biogenic Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(F)c3)sc2c1 8974037 VDWMHFYHGMWJQZ-HXUWFJFHSA-N 448.475 5.428 30 40 IKEB N#Cc1oc2ccccc2c1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 9126353 YAINEHSEODASTG-UHFFFAOYSA-N 428.517 5.100 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(CC)cc1 9427226 IFMSQQHWHAJATI-QFIPXVFZSA-N 446.576 5.151 30 40 IKEB N#CCCN(C(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccccc1F 9885078 BIOXVLBUBXTXJD-UHFFFAOYSA-N 448.548 5.536 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1OC 10002143 GNTPFCOUEHWZBW-MFKUBSTISA-N 447.516 5.369 30 40 IKEB COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@H]2c1sccc1C 12463226 MVOLPQKOUHRUSD-RTWAWAEBSA-N 432.545 5.204 30 40 IKEB N#Cc1c(/C=C/c2ccc3c(c2)OCCO3)cc(-c2ccccc2)n2c1nc1ccccc12 13141516 OFLWHDSRSVAYBP-ZRDIBKRKSA-N 429.479 5.968 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C1=O 13939702 ZFBOJNLGBOGCPG-WQRHYEAKSA-N 448.327 5.251 30 40 IKEB COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 18323791 PCKKWYMEJUDDQQ-XMMPIXPASA-N 446.547 5.272 30 40 IKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)cc1Cl 27061667 SWYHTUQMKGRDNF-LJQANCHMSA-N 425.893 5.193 30 40 IKEB O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1)c1cccc(Cl)c1 38179860 MNZWLMJFIRTDIZ-RDRPBHBLSA-N 440.930 6.639 30 40 IKEB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 40049308 YFHUGTGNTPUARE-SJORKVTESA-N 444.560 5.034 30 40 IKEB CCCCCCCCCC[N+](C)(C)CCOCCOCCOC(=O)Nc1ccccc1 59042384 TWXOJYPGDPXXCL-UHFFFAOYSA-O 437.645 5.485 30 40 IKEB N#Cc1cccnc1NCc1cccc(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c1 95468192 UDYUSTHNFHQUAT-UHFFFAOYSA-N 439.450 5.144 30 40 IKEB CCCCCCCCCOC(=O)NCCCCNC(=O)OCCCCCCCCC 98001315 UTRZIAUVVUYPPW-UHFFFAOYSA-N 428.658 6.720 30 40 IKEB CC[C@@H](C)OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 169795805 HPQWRPSFOKPWDR-RXMQYKEDSA-N 432.201 5.380 30 40 IKEB O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1 408820841 ZLKMSFINXZCURY-SIDNSYPESA-N 427.573 6.414 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408898454 LLZMUDYELCPZLC-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 408910131 FUXLNVHAYPDYLZ-XNGCSZICSA-N 429.383 6.160 30 40 IKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408912736 RUWPNBVHBPNXAF-MUFRIFMGSA-N 442.490 6.261 30 40 IKEB CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408941175 OUAVVNZYWXPSCU-HGPMORKZSA-N 442.990 7.706 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(C)C2=O)c1C 408966458 LTYSFXLKDTXXMH-GCNWNYGFSA-N 445.588 5.899 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)c2C#N)C1 409087268 BXWOQGIXTUKHMO-MKCCAMSKSA-N 446.591 7.239 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl 409141407 JPWBPCRRLWATQZ-XMHGGMMESA-N 446.355 5.675 30 40 IKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc([N+](=O)[O-])c1O 409209256 IJQSTGDCNVEPBF-REMUQMNCSA-N 427.526 5.534 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Cl)c1 409215945 CHOYKAMBRYMBNX-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB COc1ccc2ccc(OC)c(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)c2c1 409248139 GHFWNBGSOXEXIJ-CIAFOILYSA-N 438.936 5.710 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(C)o2)cc1C(C)C 409298746 XLURHPNDNTUBLJ-UHFFFAOYSA-N 429.520 5.678 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1Br 409370628 CEVYYFXYUBBODR-DHRITJCHSA-N 446.308 5.222 30 40 IKEB CCc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C 996813 AAMCXELSFXQLKU-DJUDNFEDSA-N 436.364 5.146 30 40 IKEB Cc1cc(C)cc(-c2nc3cc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc45)ccc3o2)c1 3034021 IYABGQAKGXOWQP-MZJWZYIUSA-N 437.455 6.629 30 40 IKEB CCCCCCCCNC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 8442691 JVYHBSNJTGVWEQ-UHFFFAOYSA-N 435.571 7.180 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 9271458 VEKIOHJACGZVRW-XMMPIXPASA-N 431.532 5.646 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4cccs4)ccc3C2=O)c2cc(OC)ccc21 9422404 VEQVRGMSPYMEBS-SSDVNMTOSA-N 445.496 5.567 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)ccc1O 15018138 NGXRSFDDJYYEKR-LMTJQJACSA-N 444.556 6.216 30 40 IKEB Cc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1 32984384 SLKJGSXWVOPTCM-UHFFFAOYSA-N 427.884 5.437 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 33268241 NXUQUBQNTFOZOO-HSZRJFAPSA-N 444.510 5.241 30 40 IKEB CC(C)=NNc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)c(Cl)c2s1 72229012 MHOXKUAYETZGES-UHFFFAOYSA-N 427.744 6.317 30 40 IKEB CCCCCCCCCCCC(=O)O[C@@H](COC(N)=O)COc1ccc(Cl)cc1 73369136 BVVYHAXRDCAAOB-HXUWFJFHSA-N 427.969 5.647 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2Cl)/C1=C(\O)c1ccccc1 102861247 KTVQIUIZLKMUFG-YDJIHCHBSA-N 439.298 5.010 30 40 IKEB CCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530944 CDFQNYMQXQROOO-CCEZHUSRSA-N 428.423 8.712 30 40 IKEB O=C(O)c1ccccc1/N=N\C(=N\Nc1ccccc1C(=O)O)c1ccnc2ccccc12 104199118 IUTMHRDDOZEMKA-CPVSQGEUSA-N 439.431 5.189 30 40 IKEB Cc1ccccc1COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408885540 BQGMPZVNGOVBPU-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1C 408915657 ZFKIUWQPBFULNP-NFEGURHZSA-N 433.489 5.651 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1OCc1ccccc1F 409405008 SBZYOGKHDPKYPN-UHFFFAOYSA-N 449.485 5.664 30 40 IKEB COc1cc(C[S@@](=O)Cc2cccc3ccccc23)ccc1OCc1cccc(C#N)c1 522662519 WTBOINZTFMXJRU-JGCGQSQUSA-N 441.552 5.748 30 40 IKEB N#Cc1c(-c2ccccc2Cl)c(-c2nc3ccccc3[nH]2)c(N)n2c1nc1ccccc12 938167 UZABILMYSKUETR-UHFFFAOYSA-N 434.890 5.805 30 40 IKEB CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 4062250 RPJYQERFYOCLIV-XHCCPWGMSA-N 444.962 6.718 30 40 IKEB CCCc1nc(NC(=O)c2ccccc2)c(C#N)c(-c2cccc(Br)c2)c1CC 8443376 FJZIBWCVFFLHSF-UHFFFAOYSA-N 448.364 6.150 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 8445797 AASJSEIGEBESMM-UHFFFAOYSA-N 442.971 7.242 30 40 IKEB COC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)S/C(=C\c2c[nH]c3ccccc23)C1=O 8750238 ZITXVNOSCMJZKG-IUXPMGMMSA-N 445.327 5.628 30 40 IKEB N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2ccccc2Cl)c1 8762204 HCRJJGHBIMLRAE-UHFFFAOYSA-N 433.747 6.922 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C(F)(F)F)cc1 8846695 SWLSQKIALIIEJM-QYBDOPJKSA-N 448.488 6.993 30 40 IKEB N#Cc1c(SCCCC(=O)N2CCc3ccccc32)nc2c(c1C(F)(F)F)CCCC2 9421955 GMRWIAUGJQFHOL-UHFFFAOYSA-N 445.510 5.312 30 40 IKEB Cc1c(OCc2ccccc2Cl)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9422461 HXVWUDLZLWNPCN-ZMOGYAJESA-N 429.903 6.335 30 40 IKEB COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)ccc1OCc1ccccc1Cl 12647988 JAIUNMFQNPGCCC-BRJLIKDPSA-N 445.302 5.725 30 40 IKEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 13129870 ATUJQIZTTRXGNN-JLHYYAGUSA-N 438.376 5.454 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccccc1Cl 14126778 RYVKSTVAEOOZNL-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H](C#N)[C@@]2(O)C1 17299291 IKAYYSYGCHKPAB-FCUQQOBWSA-N 443.716 6.987 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c1 27520685 IUIVQQLUBNBMEZ-YBFXNURJSA-N 443.355 6.762 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cc(OC)cc(OC)c3)c(C)c2s1 72228745 YWQNKMGYWWWPGU-MXAYSNPKSA-N 426.542 5.380 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/SC(=O)N(c3ccc(O)cc3)C2=O)cc1 97968964 PLAMASJBLAMQKA-OQKWZONESA-N 425.550 6.372 30 40 IKEB COc1cc(OC)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1Cl 408587036 DQUTXHRYBXLWPI-MUFRIFMGSA-N 442.902 6.906 30 40 IKEB Brc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)cc1 408720795 DIQGJUNZXSTLJD-UFFVCSGVSA-N 445.114 5.870 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N\C3=C[C@H]4C(=O)c5ccccc5C(=O)[C@H]4C=C3)c2C)cc1C 408741612 QVQREHMXYKQWFH-WZMTZDRBSA-N 434.539 5.895 30 40 IKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1 408799864 IRSRAMIWTMJLMX-MXAYSNPKSA-N 429.303 5.770 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc(Br)o2)sc2c1CCCC2 408848311 TWJAHMHVXXYYJA-UUYOSTAYSA-N 429.339 5.985 30 40 IKEB CCCn1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 408883522 TWYZHKABRDQCKP-UHFFFAOYSA-N 444.619 6.367 30 40 IKEB CCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 408969564 QDTIAROPQUNMSG-TURZUDJPSA-N 446.616 7.199 30 40 IKEB COc1cc(/C=N\Nc2ccccc2)c(Br)cc1OCc1ccccc1F 409076816 CJYXXSJHVAVKOX-CFRMEGHHSA-N 429.289 5.622 30 40 IKEB Cc1ccc(COc2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2)cc1 409082410 PWYXIVDYLAXDFW-MMQHPSSSSA-N 442.628 7.409 30 40 IKEB O=C1Nc2ccc(Cl)cc2/C1=C1/S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O 409119172 RQCDLQGJGBCGQQ-JDQBESMRSA-N 437.952 5.599 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)[nH]c2C)cc1C(C)C 409296231 HNCKTPDGSVWVHJ-UHFFFAOYSA-N 428.536 5.331 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3OC)cc2)cc1OC 409375940 RFOHATRLZRWFSS-AKBIMGJMSA-N 439.939 7.077 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(OCC)cc3)N(CC)C2=O)cc1Cl 2166692 MCCPLJFOMYLEGK-VLYZUMCXSA-N 442.968 5.927 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccs4)nc3c1[C@H]2c1ccccc1 2417246 YTBGEMBZTTWNQV-SFHVURJKSA-N 428.517 5.020 30 40 IKEB O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cc2ccccc2o1 2420520 ZJCRSXLZUQPWCS-UHFFFAOYSA-N 440.480 5.589 30 40 IKEB CC(C)c1ccc(/C=N/n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1 2438774 YFKBDSSHODDVQX-MUFRIFMGSA-N 448.530 5.425 30 40 IKEB Cc1ccccc1/N=c1\scc(-c2ccco2)n1/N=C/c1cccc(C(F)(F)F)c1 3264945 GORLWZXUPBGGCB-QDGYQWSFSA-N 427.451 6.251 30 40 IKEB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3n2Cc2ccc(C#N)cc2)cc1 3324405 NHUSKOBTZZRGRI-VWLOTQADSA-N 436.559 5.782 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 4471328 ZFCGBTGMOXWFMB-HZHRSRAPSA-N 446.528 5.174 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(OCc2cccc(F)c2)c1 8783619 MMXFXASJLSIIIG-MHZLTWQESA-N 442.534 6.627 30 40 IKEB biogenic,in-vitro Cc1c(Cc2ccccc2Cl)c(NC2CCCCC2)n2c(nc3ccccc32)c1C#N 9308524 GUINMQIAKLRUJN-UHFFFAOYSA-N 428.967 6.656 30 40 IKEB Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9482640 YDEVQCXZQIFRED-SPLOXXLWSA-N 441.314 5.954 30 40 IKEB C=CC/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C(\C)c1ccc(C(C)(C)C)cc1 12311844 SCHOYLGNYZVMCU-DGWQKUEESA-N 434.565 5.781 30 40 IKEB O=C(/C(=C/c1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 32665184 MPKIJXNGVPYIJR-VBKFSLOCSA-N 427.718 6.947 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)OC1CCCCC1 61719540 CYUWWNQPILHEJD-UHFFFAOYSA-N 428.557 6.255 30 40 IKEB CCCCCCCCOC(=O)CCOCCOCCC(=O)OCCCCCCCC 100313412 PAFJQESAEGERNY-UHFFFAOYSA-N 430.626 5.607 30 40 IKEB O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C\c1cc(F)ccc1O)c1ccccc1 104116016 BRTBFLOXOZZEKE-KSEXSDGBSA-N 439.295 5.390 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)S/C1=N/c1ccccc1 223554195 BMRRTKZNMLZOPG-BYZOWGHSSA-N 447.648 6.811 30 40 IKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)c2ccccc12 225933855 JLVCCVUZJXAEGJ-UHFFFAOYSA-N 433.551 6.388 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl 408702429 CHRFNLRQVUQPGN-HXUWFJFHSA-N 448.346 5.387 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408914347 PIHGNHBTPWWAJI-JVWAILMASA-N 432.520 5.808 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br 408966627 PRUUJBTWDJEUFR-BXUJETTOSA-N 445.382 5.826 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c2C#N)C1 409084812 QODRBJVCZVIEKG-MAFAOTQISA-N 432.545 6.480 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccc(C)cc1 409119308 STOITLNVEHXZMU-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3C)c3ccccc23)C1=O 409125759 KGNSGRGZMHXJMM-KQWNVCNZSA-N 430.529 5.088 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 409209665 HNYPEOAUMIUEHK-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl 409246646 KCKFQPUJGYCUTE-MKFNJMOCSA-N 435.376 6.371 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OC 409329354 DYMLXYVEPYZKQX-UYRXBGFRSA-N 445.993 5.882 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C 650589 RDMVENMIXQUDIF-RUZDIDTESA-N 446.547 5.089 30 40 IKEB O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccccc1 707464 SXORILIGIJBYLH-HXUWFJFHSA-N 441.380 5.627 30 40 IKEB CCN(CC)C(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2C)c(C#N)c1C 2746595 BRNBNKFRTAOWHU-UHFFFAOYSA-N 447.988 5.170 30 40 IKEB COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nnc2ccccc21 4871547 YWJOOPKBMUFJHI-VQHVLOKHSA-N 427.548 5.287 30 40 IKEB CCCCC1=C(c2ccccc2)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 4897483 WAMYHIVYSOOYFB-RFBIWTDZSA-N 442.475 6.434 30 40 IKEB COc1cc(/C=C2\CCC/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 8396850 HVOVCVCXCXFKMY-MKFXEVHTSA-N 435.303 5.642 30 40 IKEB CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 8430432 OMNIURFCWDFEAJ-QYBDOPJKSA-N 430.573 6.516 30 40 IKEB Cc1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 9341263 UYEUAWPQWZIVAR-UHFFFAOYSA-N 448.297 6.098 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 9464616 GRPULRAITOAXSH-OAQYLSRUSA-N 448.862 5.340 30 40 IKEB CN(C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1Cl 9671359 MLFUAZVAMCTZFI-NRFANRHFSA-N 435.980 5.396 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c(OC)c1OC 11869790 HLXLSHVDGRILLH-CFRMEGHHSA-N 446.499 5.524 30 40 IKEB biogenic CCC(=O)Oc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ccccc32)cc1OC 15024062 QCZROXJKAILXPK-VWLOTQADSA-N 427.500 5.728 30 40 IKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 15911967 LPROPTXJOKMABJ-HSZRJFAPSA-N 432.907 5.430 30 40 IKEB O=C1N=C(c2cc3ccccc3oc2=O)S[C@H]1C/C(O)=N/c1ccc2ccccc2c1 18992310 VJEYHHKVQMWIPM-FQEVSTJZSA-N 428.469 5.013 30 40 IKEB C=CCOc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 26531703 MCVMEIZKSYOKKH-PTGBLXJZSA-N 436.536 5.203 30 40 IKEB Cc1ccc(Nc2nc3nonc3nc2N/N=C/c2ccc(Cl)cc2Cl)cc1C 27500046 NQBUJPRIXIZWBX-LSFURLLWSA-N 428.283 5.126 30 40 IKEB COc1cc(/C=N\Nc2ccc(Br)cc2)ccc1OCc1ccccc1C#N 30743249 FJEXZUWFVLGWPA-QFEZKATASA-N 436.309 5.354 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Br)cc1 100309884 ADPVZPFBFNBZSH-UHFFFAOYSA-N 439.482 8.052 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)c3ccccc23)S1 408863584 NPXYTPVKBWFWIE-OYKKKHCWSA-N 446.572 6.083 30 40 IKEB Cc1ccc(Sc2oc(/C=N/c3cc([N+](=O)[O-])ccc3O)cc2Br)cc1 408908443 CMWSQYRTYXNVLW-KEBDBYFISA-N 433.283 5.866 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cc1OCC 408910289 GSIFOJLMHAQQGK-OBUXZSPNSA-N 438.593 6.197 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccccc1F 408965709 LPPMVEZXHKASKV-GZTJUZNOSA-N 432.307 5.815 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OC(C)C 409096851 KVBWXUMFRNAENU-PGGKNCGUSA-N 446.267 5.495 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)c1 409199456 DKGIVHRWGPOPOK-DNTJNYDQSA-N 441.119 5.042 30 40 IKEB Cc1cc(N2CCCC2)c(F)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409282369 OHPUMZVRCIJHFU-UHFFFAOYSA-N 432.543 5.374 30 40 IKEB N#Cc1ccnc(Nc2nc([C@H]3CCCCN3Cc3cnn(C4CCCC4)c3)cs2)c1 585295359 WNJKDOLRBZKQEG-OAQYLSRUSA-N 433.585 5.192 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(C(C)(C)C)cc1 2631376 MRJVZEUPGDNYIN-UHFFFAOYSA-N 431.565 5.031 30 40 IKEB C=CCn1c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)nnc1C1CC1 2739450 QXNQVNLVJDDAON-UHFFFAOYSA-N 434.952 5.655 30 40 IKEB CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 8771146 CWOVYILZBWGNOO-JOCHJYFZSA-N 442.563 5.039 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 8811925 MJDSCXMSWRWOAE-UVHMKAGCSA-N 447.337 6.234 30 40 IKEB N#Cc1c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)sc2c1CCCC2 8982000 JZWLVUYIVRTNIF-UHFFFAOYSA-N 444.632 5.206 30 40 IKEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9210206 IPTDFEOIBFRHDS-FBHDLOMBSA-N 425.267 6.137 30 40 IKEB CC/N=C1\S/C(=C\c2c(OCc3ccccc3C#N)ccc3ccccc23)C(=O)N1CC 9259655 OUIYCYOKXUBCCD-AHHHDHMGSA-N 441.556 5.603 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C 9274634 TUOYNQGJFHENKH-IBGZPJMESA-N 438.574 5.728 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c2ccccc21 9422826 GHHYLIPCYGXOQC-ZVHZXABRSA-N 441.458 5.944 30 40 IKEB COc1ccc(-c2cc(-c3cccs3)nc(SCc3ccc(C#N)cc3)c2C#N)cc1 12249687 QGXPKTMGCZANHO-UHFFFAOYSA-N 439.565 6.521 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(C(=O)Cc1cccs1)c1ccccc1N2 12652132 WRUZWXKDTPBPFF-RUZDIDTESA-N 448.975 6.151 30 40 IKEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(C)s1 16779349 APMCBNXDEBYPDP-DIFFPNOSSA-N 429.611 5.231 30 40 IKEB CCN(CC)c1nc(N/N=C\c2ccc(Cl)cc2)nc(Nc2ccc(C)c(Cl)c2)n1 32123415 HNWQRQGSWPMXSD-CFRMEGHHSA-N 444.370 5.523 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C 33793035 VZTJACYZBNPUGY-INIZCTEOSA-N 426.973 5.209 30 40 IKEB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN32)cc1 36026141 AYHFYRCMZUUNLD-WEWMWRJBSA-N 433.486 5.544 30 40 IKEB N#CC(C#N)[C@@H](/C(Sc1ccc([N+](=O)[O-])cc1)=C(/O)c1ccccc1)c1cccs1 100068394 WLVAMRSUUDISIA-VWKSNAFDSA-N 433.514 6.122 30 40 IKEB Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c1C 101650324 UTYYNJRBLVOJKE-CLXZYQIKSA-N 436.364 5.200 30 40 IKEB O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)/C1=C(O)/C=C/c1ccccc1 102595288 PGNHDAYBGSOACL-QGCDDDHDSA-N 449.428 5.888 30 40 IKEB CCCCCCCCCCCCCCCCCC[n+]1cccc(C(=O)N2CCOCC2)c1 104053225 JRKMEOGMTDAFRP-UHFFFAOYSA-N 445.712 6.708 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1NCc1ccccc1 104213856 LJFCTAIRZSFJMR-KVSWJAHQSA-N 439.264 7.081 30 40 IKEB CCCCCCCCOc1ccc(Cl)cc1/C=C1/SC(Nc2ccccc2)=NC1=O 109122809 YOQBPTMGBDAYLV-OQKWZONESA-N 443.012 7.162 30 40 IKEB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934393 GCRIWPLHBVKSPY-OZCFNFNUSA-N 444.612 5.265 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 223500984 BQGMLCBEZSUTCO-ZMOGYAJESA-N 437.500 5.668 30 40 IKEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226341314 AWTDCRZKKBSJCJ-BQYQJAHWSA-N 440.120 5.525 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Br)ccc1OCc1ccccc1C#N 408594479 HJJUAGSCXGCBLW-MZJWZYIUSA-N 446.304 5.322 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl 408768663 ZVZXATYCGKCRKD-SARUNTBLSA-N 435.376 5.720 30 40 IKEB COc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 408898683 RFNBIKCHGLYFCU-UHFFFAOYSA-N 427.972 5.664 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCC(C)C 408993942 XPIOMQKXCUXECV-MTJSOVHGSA-N 444.984 5.974 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O 409044448 CFCVEPUQZNHDNE-XDHOZWIPSA-N 442.334 5.006 30 40 IKEB CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)c1C 409067777 REJQFTCPVWEQKZ-PAPBZEPUSA-N 443.616 6.362 30 40 IKEB Cc1ccc(COc2ccc(Br)cc2/C=N/c2cccc(Cl)c2C)cc1 409203124 WFJGPFZKSNBCGX-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CCOc1ccc(C(=O)O)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 409214009 WPHBRLQSVFEQSY-UHFFFAOYSA-N 438.520 5.184 30 40 IKEB COc1cccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1O[C@H](C)C(=O)O 409240915 VKKBHJUCJGOWET-PVLQNKMRSA-N 425.868 5.743 30 40 IKEB CCOc1c(Cl)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409400638 AGRPROCPGRESJU-UHFFFAOYSA-N 438.314 5.651 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(F)cc1 1434670 QGBBCDVTQWDVTP-NYHFZMIOSA-N 425.887 5.014 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)c2C#N)C1 2081515 AEUQPGDABIMYAX-UEICXMAYSA-N 438.593 5.830 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc(OCc3ccccc3)cc2)c2ccccc21 2291770 WEEQQYKTLFDLGJ-LJAQVGFWSA-N 447.559 7.132 30 40 IKEB COc1cccc(C(=O)/C=C/Nc2ccc(N/C=C/C(=O)c3cccc(OC)c3)cc2)c1 2300121 UGZFJQIQAGKUKL-WXUKJITCSA-N 428.488 5.321 30 40 IKEB C=CCn1c(-c2ccccc2)cs/c1=N\N=c1\scc(-c2ccccc2)n1CC=C 2676671 LSOKARJYSPXDOU-MJPLYFDISA-N 430.602 5.535 30 40 IKEB CCN(CC)c1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 6078514 LWLJPUIMQDIKSN-RUZDIDTESA-N 449.639 5.149 30 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O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NCc1ccccc1 21722002 BFLMFOCWSSBKTJ-AREMUKBSSA-N 443.572 5.045 30 40 IKEB CCCCCCCCCC(=O)Oc1ccc(-c2ncc(CCCCCCCC)cn2)cc1 33354409 BNYDKDMFTOSVQL-UHFFFAOYSA-N 438.656 8.093 30 40 IKEB biogenic Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1 83316720 CSWRXQFXQJURTM-UUYOSTAYSA-N 447.516 5.540 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 102137248 KDOUMEBUEPCNCB-JOCHJYFZSA-N 449.501 5.983 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc(OC)c1O 113838808 MWDDZDWHEKURLA-KGENOOAVSA-N 433.554 5.688 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C2=O)s1 136015071 ZLBKWVKIKPLISO-GHWCWRRZSA-N 435.574 5.406 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\S/C(=N\c4ccccc4C)NC3=O)cc21 223511015 KXBVLJNMVNLPMF-OYKKKHCWSA-N 445.632 6.605 30 40 IKEB Cn1c(N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2ccccc21 408656959 MPLCSIGHORBVBU-DHRITJCHSA-N 425.319 5.905 30 40 IKEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc(Cl)cc(Cl)c2O)ccc1O 408734814 FEWIWOPCIOIDLG-BRJLIKDPSA-N 442.302 5.869 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c2ccccc12 408906991 FSXMAOWTAWNAGI-UINIZAEWSA-N 430.573 6.561 30 40 IKEB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1ccccc1 408907710 OYDVBAFDMFDOBA-KWPJTZOTSA-N 428.557 6.280 30 40 IKEB CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C(=O)N1CC 408930495 XUJPIFPWKNWYPE-LRXZINBSSA-N 428.529 5.116 30 40 IKEB CC(C)Oc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(C)C1=O 409073920 UODYGKDQEFGKRQ-UXTWZOPHSA-N 430.913 5.059 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(O)c3)c2C(=O)NCc2ccco2)C1 409076895 COBHTZGLJKQMOC-MWQSPYHUSA-N 436.577 5.878 30 40 IKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409081619 QMLVCSXEKYYSAW-RZNTYIFUSA-N 431.102 6.195 30 40 IKEB O=S(=O)(Oc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1)c1ccccc1 409209994 IWAQISANLNBXEE-XHPQRKPJSA-N 429.497 5.997 30 40 IKEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 409216099 IAXLYDAOXZNNMH-BUVRLJJBSA-N 429.925 5.429 30 40 IKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccc(O)c(Cl)c1 409307170 RLEFVBZSYSBMMQ-UHFFFAOYSA-N 443.812 5.324 30 40 IKEB N#Cc1cccc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCCC4)c1 664012 YBRDUJKORYAWPT-UHFFFAOYSA-N 430.455 5.290 30 40 IKEB COc1ccc(-c2csc(N/N=C3\C[C@@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 9360649 YVCXIROPPVUFHA-RMNOPMHCSA-N 441.556 6.467 30 40 IKEB CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl 9678670 NAUAFWKKQMTFAE-QHCPKHFHSA-N 429.347 6.300 30 40 IKEB N#Cc1c(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)sc2c1CCCC2 16525430 SVSBCANSGHEGPM-CCVNUDIWSA-N 429.976 6.906 30 40 IKEB C[C@H]1CN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C[C@@H](C)O1 33027111 BLWHKQOPCPKCEV-CALCHBBNSA-N 429.476 5.152 30 40 IKEB O=[N+]([O-])c1ccc(/C(=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ccccc2)cc1 33789106 IGZKDHMQLRZTBP-DARPEHSRSA-N 445.460 5.491 30 40 IKEB C=CCOC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OCC=C 104371683 GCJWKOVZAOVXKZ-AREMUKBSSA-N 438.693 7.565 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1C 408741397 POLVUVYILNSFIB-ZVHZXABRSA-N 429.589 6.219 30 40 IKEB CC(/C=C1\SC(=Nc2cc(C)c(Br)c(C)c2)NC1=O)=C\c1ccccc1 408767598 YWDVURWYRQZZQF-LDFNIPPCSA-N 427.367 5.904 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3c(OCC#N)ccc4ccccc34)c2C#N)C1 409083906 WLNAQURZTNQAIX-IUUQDGFPSA-N 427.573 6.577 30 40 IKEB COc1ccc(/C=C/C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 409290455 TUFLDABWJWRXLW-WRLHPPAFSA-N 440.341 5.012 30 40 IKEB COc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 409376398 XWBWZPUFHYKTRQ-WGARJPEWSA-N 438.911 5.225 30 40 IKEB CC(C)(C)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385247 UGMMRZNNRQELMG-WGOQTCKBSA-N 442.475 5.031 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC 2095657 RBRZIZZMGSUBAI-JXKYSLRESA-N 444.556 6.129 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(Cl)c1 2454460 ZVZXBCAAEFDURB-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB Clc1ccc(Cl)c(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c1 3115285 GOGKZXXLCMKJCF-KIBLKLHPSA-N 436.125 7.859 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)c(Cl)c1 3667124 WYLWXAZWCMBLPD-PGGKNCGUSA-N 429.181 6.931 30 40 IKEB CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2ccc(OCC)cc2)c2c(C)oc(C)c21 8818249 UCQDQXSTNAKNEI-UHFFFAOYSA-N 429.516 6.131 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Br)s1 8915864 VFLMLKZQKXIGEF-QFIPXVFZSA-N 438.390 6.864 30 40 IKEB COc1ccc(CN(CCC#N)CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1OC 8926026 RRSOUPVPFREUEZ-MVOZIGHISA-N 449.639 5.108 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 9283055 UPLFVCCMLNRHSE-LDADJPATSA-N 426.950 6.284 30 40 IKEB C=CCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nnc1-c1ccccc1 9952127 NGHSVYGPDVNHKI-INIZCTEOSA-N 449.605 5.053 30 40 IKEB Cc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)o1 11617081 XLGJFDCEFSNHSL-ZRDIBKRKSA-N 434.289 5.755 30 40 IKEB C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 12475098 KEIPVPAPVZOVCH-UHFFFAOYSA-N 431.414 5.081 30 40 IKEB biogenic C=CCN(Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)Cc1ccc(Cl)s1 20682028 GMEIOKPZGFNWQK-UHFFFAOYSA-N 445.972 5.694 30 40 IKEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)c2cc(F)ccc21 36367338 KALBXNMWYAWPEJ-DEOSSOPVSA-N 448.475 5.063 30 40 IKEB Cc1ccc2c(c1)N[C@H](c1cccc(/N=C/c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2 104214034 ZXGVFQHHLQGPAQ-WIGBRQBFSA-N 448.353 7.064 30 40 IKEB CCCCCCCCCCC(=O)N([C@@H]1C[C@H](C)CC(C)(C)C1)[C@@H]1C[C@H](C)CC(C)(C)C1 104359672 DQHFFAOTHZXUGF-QEGGNFSNSA-N 433.765 8.775 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 118916312 YGBQOUNQDOEMKJ-ZUFRPPAHSA-N 445.430 6.880 30 40 IKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 253497878 YGBQOUNQDOEMKJ-QWKBHQLBSA-N 445.430 6.880 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2cccc(C)n2)CC1 257324166 WNMKTKRMMMKLSD-UHFFFAOYSA-N 439.603 5.184 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1OC 408908860 SPSRKUNNVGZNRY-RUEJZYPDSA-N 444.556 5.551 30 40 IKEB O=C1/C(=C\c2c(F)cccc2Cl)S/C(=N\c2ccccc2)N1CCc1ccccc1 408912443 QLJCLSBXMJEMMS-SHQKSRGUSA-N 436.939 6.326 30 40 IKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC(C)C 409212591 NGUKWDJFYREBCW-RGKQAONTSA-N 438.637 6.955 30 40 IKEB Cc1cc(C)c(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)c(C)c1 409279691 JLJCZLSLMJIJLJ-UHFFFAOYSA-N 441.918 6.271 30 40 IKEB CN(C)c1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)cc1 409280547 LKACHCAQZYKMSI-UHFFFAOYSA-N 442.906 5.411 30 40 IKEB CN(C)c1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)o1 409283828 SBPOSOGFGMLPOY-UHFFFAOYSA-N 432.867 5.004 30 40 IKEB Oc1ccccc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 1226966 SUCBWFPUWPUFIQ-WSDLNYQXSA-N 440.240 5.556 30 40 IKEB Cc1cccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)c1 1429563 QTVPNSUSRZFCHD-IBGZPJMESA-N 444.600 5.971 30 40 IKEB Cc1cccc2oc(-c3cc(/N=C/c4ccc(-c5cccc(Cl)c5)o4)ccc3O)nc12 2067490 OLWURIXSGARMNR-MZJWZYIUSA-N 428.875 7.173 30 40 IKEB Cc1ccc(C)c(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(Cl)c2)c1 3323079 WXRAKQHSCFRVAE-UHFFFAOYSA-N 430.964 6.369 30 40 IKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1 6075377 ZBAQJLCOJTVOJR-YZSQISJMSA-N 431.561 5.524 30 40 IKEB COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC[C@@H](C(C)(C)C)C3)c1 8448639 LFAUMQUEKOQCRD-GOSISDBHSA-N 448.657 7.134 30 40 IKEB N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 8811991 UJRZGECBPRCDQR-OCSSWDANSA-N 425.919 6.068 30 40 IKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)N1CC 8821656 QUYPXQOCEYCYMA-AQWOHROKSA-N 430.957 5.240 30 40 IKEB CCC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O 9272294 NVHYTASQZUFVJY-VOSQQLOXSA-N 444.398 5.392 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 9334182 RQOJFBYTQYKVCY-HXUWFJFHSA-N 448.475 5.428 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Br)s1)OCO3 12349566 NTBFWGIIHHNSGF-GOSISDBHSA-N 432.339 5.440 30 40 IKEB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3Cl)n2-c2ccccc2)cc1 16217504 LBYUTRSHIZIUJB-UHFFFAOYSA-N 432.936 5.760 30 40 IKEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)s1 18200822 DWXRYRSWBFAUSL-NYHFZMIOSA-N 443.528 5.087 30 40 IKEB Cn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 28182456 PDIMBRULMIXPCZ-VROXFSQNSA-N 433.866 6.166 30 40 IKEB Cc1cc(Cl)c(O)c(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 32111997 YZTHDWLHXRZHPY-XODNFHPESA-N 447.321 7.719 30 40 IKEB CCCCCCCCCCCCCCCCSCC/N=C\c1cccc([N+](=O)[O-])c1 33354686 LCDSNUKHZHWNBY-RWEWTDSWSA-N 434.690 8.228 30 40 IKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 59224177 HDUPMROFWIKYDF-XKZIYDEJSA-N 434.948 6.119 30 40 IKEB CC(C)(C)c1ccc(Oc2ccc(/C=C\C(=O)c3ccc(Cl)s3)cc2[N+](=O)[O-])cc1 96766593 IDXBJYKPXRESGX-WMZJFQQLSA-N 441.936 7.296 30 40 IKEB CCCCCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 97946822 MQKSSKISGXYPIP-GKKKVQSUSA-N 445.588 5.218 30 40 IKEB Cc1ccccc1N/N=C1/C(=O)N(c2nc(-c3ccccc3)cs2)N=C1c1ccccc1 100530619 KLYQHVASGGCTIR-WEMUOSSPSA-N 437.528 5.338 30 40 IKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1nc3ccccc3s1)C(=O)c1ccccc1-2 100859160 YJMACYTZBJJSIO-VBKFSLOCSA-N 430.485 5.691 30 40 IKEB C=CCn1/c(=N/C(=O)c2ccc(N(CC)CC)cc2)sc2cc(Br)ccc21 100874383 ZWRQJVXASKIBMU-LNVKXUELSA-N 444.398 5.239 30 40 IKEB COc1ccc([C@@H]2CC3=NC4=C(C(=O)c5ccccc54)[C@@H](c4ccc(C)cc4)C3=C(O)C2)cc1 102580663 ALQJVCLZXJUQKW-IBVKSMDESA-N 447.534 6.539 30 40 IKEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 102862254 IUMNLIPDPAHJGZ-AYWGPLOBSA-N 431.488 5.034 30 40 IKEB S=C1/C(=N\c2ccccc2)N(c2ccccc2)/C(=N/c2ccccn2)N1c1ccccc1 104311647 NTFQVQVCZMCMMY-OXDDFSCNSA-N 433.540 6.154 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 107947024 MEXQGYWUIILOPX-FSJBWODESA-N 438.509 5.087 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 108204665 FGVVFKKUMJXJRS-MRXNPFEDSA-N 426.973 5.209 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)S2)cc1 408531452 LZTIXMNWQZIOFS-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N\C3=C[C@@H]4C(=O)c5ccccc5C(=O)[C@H]4C=C3)c2C)cc1C 408741613 QVQREHMXYKQWFH-XYMVXJRKSA-N 434.539 5.895 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)S2)cc1 408762609 LISKBYYKSBUSMA-BKUYFWCQSA-N 432.501 5.407 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)SC1=S 408830179 YHAAVWJPAJLHLD-DHDCSXOGSA-N 440.771 5.750 30 40 IKEB COc1ccc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)c(C#N)cc2c1 917556 ZBGUOCXVCDTYLN-UHFFFAOYSA-N 425.513 5.513 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(F)cc1 1434667 QGBBCDVTQWDVTP-IVZQSRNASA-N 425.887 5.014 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC 3094439 NLLFPOVFGPSXNB-QFIPXVFZSA-N 441.568 5.041 30 40 IKEB CC(C)NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N 6076992 XWOBFBAGQFQJHE-UHFFFAOYSA-N 437.531 5.057 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SCc1ccccc1F 8406093 SGZUSRAQVXJDLU-UHFFFAOYSA-N 436.964 7.434 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccc(Cl)cc1)OCO4 9129446 NVUKDOCYWMUCEB-LJQANCHMSA-N 433.935 5.708 30 40 IKEB CCOc1ccc(N/N=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 13648405 RHLZBPLWUHLDMD-ULJHMMPZSA-N 427.327 5.311 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 18254794 NFTDSZCSHRANEX-UDWIEESQSA-N 435.461 5.063 30 40 IKEB Cc1cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c(O)c([N+](=O)[O-])c1 32114625 IUTVBZOQDOKDPJ-DHRITJCHSA-N 429.432 5.666 30 40 IKEB Cc1ccc2cc(/C=N/Nc3nc(-c4ccccc4)c4cc(C)ccc4n3)c(Cl)nc2c1 46085280 RAELJWUNOIOOKM-RWPZCVJISA-N 437.934 6.561 30 40 IKEB CCCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 97953962 JFSCPOMFUMYERF-XMMPIXPASA-N 445.651 7.396 30 40 IKEB C=CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl 108977911 UAKGEGUGSHFTJW-UHFFFAOYSA-N 436.364 5.651 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 226762922 GFHOXAKMFHPFGJ-HHHXNRCGSA-N 442.534 6.627 30 40 IKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1 408801547 VOINNJQCDACYSI-MXAYSNPKSA-N 429.303 5.770 30 40 IKEB O=C(Oc1cccc(/C=N/Nc2nc(-c3ccccc3)cs2)c1)c1cccc([N+](=O)[O-])c1 408986493 MHQLLNIKWYNXFE-ZVHZXABRSA-N 444.472 5.384 30 40 IKEB CC(C)COc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl 409043492 RCDLODXUHPDKIX-UHFFFAOYSA-N 448.390 6.071 30 40 IKEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(OCc2ccccc2)cc1 409053673 OBIZVZVQHGGSOW-YZSQISJMSA-N 444.516 6.133 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2Cl)cc1 864453 XLTUYEOKLDGWRD-UZLBHIALSA-N 446.330 5.059 30 40 IKEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 4162390 VMOSPCSOWBEFCJ-LXFCCGDJSA-N 428.532 5.038 30 40 IKEB biogenic N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)c1ccc([N+](=O)[O-])cc1 8427321 LLADSPIBXSLXCD-UHFFFAOYSA-N 449.435 5.584 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(-c2ccccc2)cc1 15305152 GGEAHDKGRSYXTQ-HHHXNRCGSA-N 430.551 7.102 30 40 IKEB Cc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O 16269521 GOJHBLLXNCJTNV-BHGWPJFGSA-N 443.263 5.069 30 40 IKEB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 16807390 QTVGNHNGDIGMKF-LJQANCHMSA-N 437.609 5.596 30 40 IKEB Clc1ccccc1/C=N\c1cccc2c1-c1ccc(/N=C/c3ccccc3Cl)cc1C2 17325289 IFDIJGNHMUAIRO-FWWKHMOUSA-N 441.361 8.066 30 40 IKEB CCOc1ccc(-c2c[n+](CC(=O)N(c3ccccc3)C(C)C)c3n2CCCCC3)cc1 27028153 QQOSZMRBAHSWLE-UHFFFAOYSA-N 432.588 5.009 30 40 IKEB COc1ccc(C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)c2nc3ccccc3o2)cc1 33381835 TYQQTMYXCXESNK-UYRXBGFRSA-N 445.471 5.286 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(Cl)cc1 100499520 LLCVXASLAZSZGK-WDIQAHRZSA-N 427.982 5.890 30 40 IKEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n(C2CCCCC2)c1C 106920937 GAQZUPXOIGNYKK-RPBOFIJWSA-N 443.595 5.192 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118936599 FELCJAPFJOPHSD-HBQDOYKASA-N 440.712 7.204 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408721847 ALGLADJLVZOVLV-VULFUBBASA-N 447.947 7.406 30 40 IKEB CCCn1cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)c2ccccc21 408896096 JLOFUARUKKYOIU-UHFFFAOYSA-N 446.591 5.501 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cc(Cl)ccc1OCc1ccccc1 409037020 WYJSIUHRPCEOOQ-JQAMDZJQSA-N 428.735 5.633 30 40 IKEB Fc1ccccc1COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1Cl 409057184 JSSADNQEHDMCER-DHRITJCHSA-N 438.915 5.488 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409208437 FXDQYCKTFURAIQ-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 409211115 HVSURBZNYJHHIE-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC)c(Cl)c1 409322137 KSHWYBXKLLDQEK-UHFFFAOYSA-N 448.748 5.046 30 40 IKEB CC[C@@H]1CCc2nc(SCC(=O)NCc3ccc(C)cc3)c(C#N)c(C(F)(F)F)c2C1 663956 RSFSCTBSJSRHFF-OAHLLOKOSA-N 447.526 5.204 30 40 IKEB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)n1 1030387 QNXSERSNWPPBTJ-UHFFFAOYSA-N 436.540 5.722 30 40 IKEB CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1066941 JOSQWVUJSQNGPM-HSZRJFAPSA-N 446.934 5.185 30 40 IKEB Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3ccccc3Cl)cc2)cc1 1917920 NHDAMEJAXWBYQK-MZJWZYIUSA-N 448.979 5.993 30 40 IKEB N#Cc1c(N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2 2071608 OJELFPXQWGAYBY-KRWDZBQOSA-N 428.772 5.037 30 40 IKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c(C)c1 3089335 JESWEOYXVXZQRP-BRJLIKDPSA-N 443.286 6.488 30 40 IKEB O=C1/C(=C2\Cc3ccccc3N2)c2ccc(Br)c3c(Br)ccc1c23 8871965 QWCRGDPYXUXUGC-FBMGVBCBSA-N 441.122 5.940 30 40 IKEB O=C1/C(=C/c2cccc(C(F)(F)F)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 8934836 BUQUYMMABQGASJ-LEXHDZRKSA-N 428.435 6.103 30 40 IKEB C=CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 9507727 CPYFGLFMQGOWQY-UHFFFAOYSA-N 425.385 5.151 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 11991960 LBSKSZHLGQYXJK-VULFUBBASA-N 433.964 6.797 30 40 IKEB COc1cccc(C(=O)/C=C/c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)c1 13042567 ZRDASQLSBOLURY-PKNBQFBNSA-N 442.433 6.198 30 40 IKEB Cc1cccc(-c2cc(/C=C/c3ccc(C(=O)O)cc3)c(C#N)c3nc4ccccc4n23)c1 13138098 WLUMMEWLQDRGNJ-SDNWHVSQSA-N 429.479 6.203 30 40 IKEB O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)c1cccc(Br)c1 13898229 BUOLNCLBADJKTO-FSJBWODESA-N 429.701 5.811 30 40 IKEB Cc1ccc(/C(=N/O)c2ccc(OCCOc3cccc(Br)c3)cc2)cc1 15905927 IFRNCZWEQREUMC-GYHWCHFESA-N 426.310 5.442 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)sc1C 17147247 NUEIDWCSJXAJPD-MRXNPFEDSA-N 430.938 5.258 30 40 IKEB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 29888756 OZZUSHYEHHKYPT-BXUJETTOSA-N 440.594 5.104 30 40 IKEB CSc1nnc(C)n1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 36611457 XJIFKJVVQKMKPO-IFRROFPPSA-N 431.732 5.323 30 40 IKEB CCOC(=O)C[C@H](O)CC(=O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 67665316 KXNNBTMXWWLIAO-QZMUEMGWSA-N 447.506 5.205 30 40 IKEB in-vitro CCCCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1Cl 68568978 XNPSICOEIMXVHK-ZQHSETAFSA-N 429.048 9.618 30 40 IKEB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1 84687085 JXLFGOSYBSSLLA-FZKQIMNGSA-N 435.936 5.787 30 40 IKEB Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O 101650392 XNTFTYOLBWDIFT-IHIJCHFRSA-N 440.327 5.031 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 408740827 IICRQXSKDRIPTP-KQWNVCNZSA-N 430.529 5.556 30 40 IKEB N#Cc1ccccc1CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 408751052 VUJMBDSISWVPRI-QZTJIDSGSA-N 433.558 5.140 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 408760758 FNSZYENKYMYMCX-NDENLUEZSA-N 435.461 5.063 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)S2)cc1 408815332 RBQHEZHXFATEBQ-QFEZKATASA-N 448.551 5.761 30 40 IKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCCC2)cc1 408961995 WSDLYGWHJQRMFY-UNOMPAQXSA-N 432.376 5.875 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(/C=N\c3sc4c(c3C#N)CCCC4)cc2)c1 409063491 LTOWRTOIYMLVPI-DICXZTSXSA-N 429.545 5.575 30 40 IKEB C=CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3C)c3ccccc23)C1=O 409143220 ZRTUSEXKIWCLCV-KQWNVCNZSA-N 432.545 5.641 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3cccc(OCc4cccc5ccccc45)c3)n2)cc1 409178058 KIGCQDQMTCKUHS-STBIYBPSSA-N 449.579 7.297 30 40 IKEB O=c1c2ccccc2ncn1/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409213263 SECOGCJGVRDUIQ-OKCVXOCRSA-N 428.495 5.435 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)S/C1=N/c1ccc(OC)cc1 409220993 IYAIGWZWQKDXLF-OIHHALDZSA-N 432.549 5.122 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S/C1=N/c1ccc(F)cc1 409228618 BOPULOHZQLQREK-FVGZADTASA-N 447.579 6.474 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)S/C1=N/c1ccc(F)cc1 409242191 VFXHGRZDBZJYQM-FVGZADTASA-N 447.579 6.474 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccc(OCc2ccccc2)c1 409308169 XMSREKXZBAFVLE-UHFFFAOYSA-N 437.543 5.905 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O[C@@H](C)CC 409313779 QWKZYLNGMOBMEV-HNNXBMFYSA-N 442.357 5.171 30 40 IKEB COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc3c2CCCC3)cc1 726281 KAWAJSFDMRIBKZ-UHFFFAOYSA-N 429.545 5.238 30 40 IKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)n2c(nc3ccccc32)N1 1069477 TYTYIQVENKAGRT-JOCHJYFZSA-N 444.332 5.971 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c(OC)c1 2157999 ZVQLILDKBSPAFO-JJFYIABZSA-N 436.847 5.193 30 40 IKEB biogenic Oc1ccc(Br)cc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 2186632 WPFBBTWDGNTPRR-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB CC(C)(C)OC(=O)CCc1ccc(Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 2561988 UQKBETVWHPVAEO-UHFFFAOYSA-N 437.355 6.280 30 40 IKEB CCCCCCCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 3094768 HHLQQURILQTTOH-JJKYIXSRSA-N 437.587 7.639 30 40 IKEB CCOc1cc(C)c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1C(C)C 6892260 BXHXMODQSHSCQH-OGLMXYFKSA-N 425.532 5.776 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1cccc(Cl)c1 9109109 OUFYNXNDCTWGAL-HXUWFJFHSA-N 436.968 5.705 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 9763880 DYCLQCJUNQRXSY-IBGZPJMESA-N 425.271 5.171 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccs1 14062739 HUGAEIJHQPYPHD-UHFFFAOYSA-N 425.366 5.230 30 40 IKEB C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1C1CCCCC1 14069092 RPGIOVUKWCYEEQ-SFHVURJKSA-N 434.609 5.635 30 40 IKEB O=C(O)Oc1cccc(/C=C2/S/C(=N/Cc3ccccc3)N(C3CCCCC3)C2=O)c1 28640860 YAGLYSNBIHAEMK-DIRPYQRSSA-N 436.533 5.549 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(CC(=O)O)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1 35076932 OGNBNMADTJKDJV-UHFFFAOYSA-N 441.955 5.110 30 40 IKEB CCCCCCCCOc1ccc(-c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 98045147 FMJZRVPHGVUDPX-UHFFFAOYSA-N 444.550 7.949 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 100856280 KBHLWPHKHGBRGO-NKFKGCMQSA-N 439.646 6.827 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 102532714 AATNAHBSEMHYAL-ASBZNUFUSA-N 448.475 5.272 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2C)nc1 107599311 DZQCAYKKTXMHSD-STBIYBPSSA-N 433.515 5.057 30 40 IKEB CC(C)N1c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223553546 MIPLGGRKFNGHID-FKOVGQMLSA-N 433.621 6.421 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccccc1 254525138 BWOUVQLTWXPQMX-WNOHRPASSA-N 443.528 5.459 30 40 IKEB C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC 408766848 HKFRNQMSJLFUIP-YVVITCHPSA-N 438.593 5.375 30 40 IKEB Fc1ccc(Cn2cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)cc1 409034396 HMHUNVLALFMVRX-BMWVXGTQSA-N 435.318 5.543 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 409183327 BHUINOIVNXVXGS-MSIOFZDNSA-N 448.910 5.015 30 40 IKEB CCCCCCCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)COC(C)(C)C3 2277083 XDSGSDSFUSKQMN-UHFFFAOYSA-N 437.609 5.695 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)cc1 3639567 XGTVBDHKQSNKBC-CJAUYULYSA-N 449.522 5.149 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 9216354 GWNCCVGLRPMTRM-XCZPVHLTSA-N 440.543 6.281 30 40 IKEB Cc1cc(C)c(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c(Cl)c1 9223522 QDZPAGWMNMSOAI-UHFFFAOYSA-N 434.952 5.669 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccs1)N(C(=O)C1CC1)c1ccccc1N2 9272081 ZHQYSJCZMJRFFK-SIBVEZHUSA-N 440.568 6.059 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1C1CCCCC1 9478332 AVCJDXFCTSQAOH-UHFFFAOYSA-N 441.626 5.351 30 40 IKEB Cc1ccc(-c2cnc(SCC(=O)[C@@H](C#N)c3nc(C)cs3)n2-c2ccccc2)cc1 9586622 CSMWJVWQNCSCSY-HXUWFJFHSA-N 444.585 5.581 30 40 IKEB Brc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 12467509 OODAPYZVOYIJIK-YZSQISJMSA-N 432.365 5.171 30 40 IKEB O=C(O)C/C(=N\Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1Oc1ccccc1 16490923 UVCWEBYBJAWYSB-HAVVHWLPSA-N 425.828 5.331 30 40 IKEB CCOC(=O)Nc1sc(N/N=C/c2c(F)cccc2Cl)nc1-c1ccc(C)cc1 16806345 SIZRNUYBTKVPOE-FOKLQQMPSA-N 432.908 5.925 30 40 IKEB CCCCCC(/C=N/n1c(O)nc2c([nH]c3ccc(OC)cc32)c1=O)=C\c1ccccc1 17056489 NHDIHNHRYHQRHE-RBHAXGTBSA-N 430.508 5.090 30 40 IKEB Oc1ccc(Cl)cc1/C=N/c1ccc(C23C[C@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1 27468905 QDRKFOPNKWCRGX-TUKNDEIHSA-N 442.002 7.586 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1 102273113 VMZNBUPNEJEWDT-KALUYTGESA-N 440.393 5.242 30 40 IKEB C[C@@H]1/C(=N/O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 104376104 ZISSOKXBDZMEDP-QRWKPCBNSA-N 441.744 8.718 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@H]12 105389122 SDYMIDMUFXWPCF-CEHQPMRJSA-N 438.514 6.415 30 40 IKEB COc1cc(/C=N\c2ccccc2F)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408545507 ZJFIFKRGRGTVLH-MIXAMLLLSA-N 446.522 5.790 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1OC 408843660 AOBUHNOHMOVQJL-STZFKDTASA-N 426.538 5.083 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409085560 SMZZOGSRZWDKIV-NKZWWHGNSA-N 447.560 6.998 30 40 IKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 409127251 PHGIQJVQOGIZCL-UHFFFAOYSA-N 441.487 5.065 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 409216845 OXZWOMUYEVPYMB-LGJNPRDNSA-N 428.315 6.584 30 40 IKEB Cc1ccc(NC(=O)CO/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 409370794 UGUMGVHLZRYHPK-ZMFRSBBQSA-N 426.875 5.356 30 40 IKEB COc1ccc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1Cl 1531216052 ZNWBVDLNJRWIHK-KSEXSDGBSA-N 448.748 5.001 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(C)o3)sc2c1 1455683 FEHGALZIAVUEEC-OAQYLSRUSA-N 444.512 5.543 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(CC)CC)cc1 2066317 UOHPYJANHWBUCN-XMMPIXPASA-N 438.612 5.480 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc23)C1=O 2206476 PQVZICXKNNRIPL-UVQVWFEYSA-N 429.589 6.173 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)cc1 4083705 YVQQMXWUYNEEDA-SLJQUXCSSA-N 443.597 6.482 30 40 IKEB O=C1/C(=C\c2cccc(Cl)c2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 8456347 UKBNRNSJEYFUED-RTTTWQGVSA-N 425.340 6.802 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 8817538 HBQGFLGBTVZPQP-OAQYLSRUSA-N 444.512 5.597 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 9374100 NFUIYLGWKYQGAO-RBBKRZOGSA-N 439.939 5.221 30 40 IKEB Cc1ccc(-c2csc3ncnc(OCC(=O)Nc4cc(Cl)ccc4C#N)c23)cc1 9703890 ZQVLFTXUGKNOPX-UHFFFAOYSA-N 434.908 5.209 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 11992215 MIXRNNWMLLPHNX-STBIYBPSSA-N 449.579 7.297 30 40 IKEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Br)cc1 14091784 PLVTZRKCRNDULX-UHFFFAOYSA-N 430.371 5.118 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1 16268127 MGPUFQSCVJRWDJ-IBGZPJMESA-N 429.734 6.863 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 32114891 JIELETWQNURCFP-PGGKNCGUSA-N 429.766 5.791 30 40 IKEB C=CCn1c(C)cc(-c2csc(NC(=O)/C=C/c3cc(F)cc4c3OCOC4)n2)c1C 32836916 XSKFQOHIYIEHOI-AATRIKPKSA-N 439.512 5.072 30 40 IKEB N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C/Nc1ccc(Cl)cc1Cl 100394441 LGQUPVFWRHJHCB-VOTSOKGWSA-N 425.102 6.910 30 40 IKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Br)cc2)=C(O)C1 101069147 ADGQZNVEYUIKPL-UHFFFAOYSA-N 447.369 5.935 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)S/C1=N/c1ccc(C)c(C)c1 101408310 OVQFSPIYGSAIGZ-GNPNYKALSA-N 446.528 5.886 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(C)c1C 408560077 AFKIJFAQWOJBKH-UHFFFAOYSA-N 442.588 5.556 30 40 IKEB N#Cc1ccccc1Cn1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c2ccccc21 408814205 RZAURRMSDPEWIS-OYKKKHCWSA-N 434.524 5.453 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)S1 408869176 PONQXQYRPRIVBV-OYKKKHCWSA-N 445.588 5.920 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@H](C)CC)C1=O 408908679 AXKFKAJZYYJKAV-ONRZTLAHSA-N 444.600 6.949 30 40 IKEB CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)c1 1434808 UEJVMKHATLIVQX-NGOKVRLYSA-N 440.543 6.073 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(Cl)cc1 2644436 YNUKTMGDOYKOOC-UHFFFAOYSA-N 444.347 5.040 30 40 IKEB COc1cc(/C=N/OCc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 3320684 XLQYPAYTHNDUKF-LQKURTRISA-N 431.919 6.632 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 4073569 IBHLVHLIYYDTRV-ABDZCSFESA-N 439.728 8.494 30 40 IKEB biogenic Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1 8820974 CBSLQCULMIILCQ-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 8854825 MOPWHNVGHYBXAG-QLYXXIJNSA-N 441.472 5.297 30 40 IKEB Cc1ccc(/N=C2\NC(=S)N(N(C)c3ccccc3)C23CCC(C(C)(C)C)CC3)cc1 9554029 OWRKPKPZGNGHLY-UHFFFAOYSA-N 434.653 6.242 30 40 IKEB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 11388575 OHTXOTIBCSORPK-HBBMIWKISA-N 435.549 5.106 30 40 IKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 12659615 ZYLFSAZTMMOTNB-RPPGKUMJSA-N 444.438 6.658 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(Oc3ccccc3)c1)n1ncnc1N2 18197984 URQJYBWTKMYXPV-MZNJEOGPSA-N 440.528 5.548 30 40 IKEB CN1CCc2nc(SCc3c(Cl)cccc3Cl)c(C#N)c(-c3cccs3)c2C1 20057823 ZONWQYUZLBXZRG-UHFFFAOYSA-N 446.428 6.269 30 40 IKEB O=C(C1=CN(c2ccc(Cl)c(Cl)c2)c2ccccc2S1(=O)=O)c1ccccc1 32984131 IPNFNCFAEZQJHX-UHFFFAOYSA-N 430.312 5.643 30 40 IKEB Cc1ccc(-c2cs/c(=N/N=C/c3cc([N+](=O)[O-])ccc3O)n2-c2ccccc2)cc1 36056520 FUQQISJJNAQAPM-ULSSEVJHSA-N 430.489 5.063 30 40 IKEB COc1c2c(cc3c1[C@@H](CC(/C=C/[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 61992897 SVSPODGIYWQUSW-HVWNZGRTSA-N 426.557 5.112 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 83316247 VXMMEYQDBYYLHN-MSXFZWOLSA-N 429.835 5.421 30 40 IKEB CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 97954404 GKYPMMOJAPYGJJ-NRFANRHFSA-N 433.596 6.316 30 40 IKEB COc1ccc(N/C(=C/C(=O)/C(O)=C/C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 100932867 CBGOOYIXKSWEGF-RMKUNYGESA-N 433.891 5.696 30 40 IKEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 102877176 DNSKRIVHMVOPGI-GHNGSUTGSA-N 448.744 5.324 30 40 IKEB O=C1/C(=C/c2ccc(N3CCOCC3)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1 108204827 ZJTOQTZKWJZJOU-FRJDLFPQSA-N 443.613 5.054 30 40 IKEB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]21C 123290357 CYPQELKXBYBDOE-VKCXERJYSA-N 446.628 5.154 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1Cl 408587874 HPFBGTUBCQUOMY-LSHDLFTRSA-N 448.266 5.663 30 40 IKEB Cc1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408847292 SXBUCHLBPYSMOI-VROXFSQNSA-N 431.275 5.548 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 408859794 ZBMPVKPALAKNRM-UADPQNNISA-N 429.589 6.361 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OCc1ccccc1 408912924 IIRWUDJXQUOXQR-UHFFFAOYSA-N 449.300 5.499 30 40 IKEB CC(C)c1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)/C=C/c1ccccc1 409124055 JYKJEXFFHWRROB-RKWRXHPNSA-N 437.499 5.021 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3cc(C)ccc3C)cc2Cl)cc1 409209572 CNVFCLTWCJTDMN-DHRITJCHSA-N 448.371 6.437 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC 409230944 HCOJPRDNANZVEO-IPGOZNNXSA-N 440.565 5.505 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(Cc3ccccc3)c2C)S/C1=N/c1ccc(OC)cc1 409238565 KJKZTNOINIAOAA-PHSRYYMBSA-N 445.588 5.786 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(SC)cc1 409310876 CJFIAHGOQQHYEM-UHFFFAOYSA-N 430.371 5.106 30 40 IKEB CCN(CC)c1ccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc1 409355488 DAPWKXMEYRBHPT-UZWMFBFFSA-N 447.582 7.699 30 40 IKEB Cc1ccc(C(=O)O)cc1/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409380579 NWEOUZDQCAXPRE-ZRGSRPPYSA-N 440.858 5.254 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 676296 DGOIDBMIVMSBTM-HSZRJFAPSA-N 434.967 5.891 30 40 IKEB CCCCCCCSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 2344413 ZEOXFRRKPYLVBR-UHFFFAOYSA-N 436.650 6.947 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2403947 BOMNWZVFMXWIPH-UHFFFAOYSA-N 449.986 5.569 30 40 IKEB CCc1ccc(C(=O)C2=C(C(F)(F)F)Nc3ncnn3[C@H]2c2ccc(Cl)cc2)s1 2806474 ALZDYDWECKTLBB-HNNXBMFYSA-N 438.862 5.270 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3378964 QLBOTIHDASZKSR-UHFFFAOYSA-N 447.903 5.284 30 40 IKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O 8791186 KOEWWJHCGXOYSZ-UOKWBDCBSA-N 430.887 6.243 30 40 IKEB biogenic Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 8809792 CWPKVJRKDYJFFN-DSXFLZDRSA-N 433.382 7.879 30 40 IKEB CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/c2nnc[nH]2)cc1 8842883 QFWNIMNQASCRKV-LUILSVGHSA-N 443.345 5.289 30 40 IKEB COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 8888200 HYENONJVQALLET-AGIZDPOVSA-N 426.343 6.727 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1 9805458 VDJBKAVGXYKTKC-VULFUBBASA-N 433.508 5.983 30 40 IKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 10118766 DFWOGZQPTRQIEM-JFLMPSFJSA-N 429.347 6.095 30 40 IKEB CCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2ccc(C(F)(F)F)cc21 11021912 JPMOLIKQJUFYDQ-CYBMUJFWSA-N 432.471 5.456 30 40 IKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccccc2Cl)cc1 11868148 GNQIEBDZKQFXEW-XYOKQWHBSA-N 431.702 6.762 30 40 IKEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCCC)c(OCCC)c2)cc1 16753910 QDLPTNRLWOEUAK-UHFFFAOYSA-N 437.496 5.131 30 40 IKEB Cc1c(C#N)c(N)nc2c3c(sc12)N=C(O)C[C@H]3c1ccc(OCc2ccccc2)cc1 20150259 IXHIHSJYVCEXNU-SFHVURJKSA-N 440.528 5.761 30 40 IKEB CC(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN(C)CCC#N)c1=S 25157298 ZJBMDTJOTAMIQY-UHFFFAOYSA-N 425.989 5.650 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cc2cccc(OC)c2o1 33664167 BWZSUFCRNZSDHK-UHFFFAOYSA-N 448.548 5.179 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)NC[C@H]1CCCO1 59474856 SQCPJPTXVSHIRB-TVSCDJBNSA-N 445.997 5.088 30 40 IKEB O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 97993042 UPEHYTOWTMODBR-OQYWKCLKSA-N 432.234 6.729 30 40 IKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1O[C@@H](C)CC 408596648 SISAPKNGNWLJHN-MMTYYTLLSA-N 431.330 5.447 30 40 IKEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(OCc4ccccc4)cc3)nc1-2 408723667 ZJXYSOSDJHYWIM-VULFUBBASA-N 428.513 6.041 30 40 IKEB COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1O 408783827 RMSKLFRULTZDMJ-QPEQYQDCSA-N 429.712 5.253 30 40 IKEB O=C1CCCC2=C1C(c1cn(Cc3cccc(F)c3)c3ccccc13)C1=C(CCCC1=O)O2 408892174 GXGSCKFTUDQTRB-UHFFFAOYSA-N 441.502 5.957 30 40 IKEB O=C1CCCC2=C1C(c1cn(Cc3ccc(F)cc3)c3ccccc13)C1=C(CCCC1=O)O2 408900573 YXALADMCOLAQEY-UHFFFAOYSA-N 441.502 5.957 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2Cc2ccccc2)cc1 408914348 UOXNZTLDKAWBLS-DDOPLPCHSA-N 434.948 6.158 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccc(F)cc1 408967103 SGFFWSBDDBVDOZ-GZTJUZNOSA-N 432.307 5.815 30 40 IKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(Cc3ccccc3Cl)c12 409126239 OEEREACYHNHSKW-UHFFFAOYSA-N 425.915 6.368 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S/C1=N/c1ccccc1 409173843 KTMOOSMXRVPDEL-IZSQXYTLSA-N 433.489 5.787 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 409213793 QWJHNNNGFGXXKE-VULFUBBASA-N 430.331 6.730 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(Cl)cc1Cl 409301020 ZILZCLMRTDSJIH-UHFFFAOYSA-N 434.282 5.999 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F 2727244 MYDTUXQZYKGFBP-SSOJOUAXSA-N 449.522 5.149 30 40 IKEB N#CCCN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 3314653 QQQCJCBDTGOEFH-UHFFFAOYSA-N 435.483 5.005 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 4060722 SZUBJTPRYPQCBJ-HSZRJFAPSA-N 441.568 5.041 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 8443862 CXNLWRAUFBFSFO-HHHXNRCGSA-N 446.591 6.419 30 40 IKEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Br)cc1 8821170 FHOJPIVOMCEAOB-ZSOIEALJSA-N 427.245 5.360 30 40 IKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1 9233996 CATUEGNQZGESCX-OAQYLSRUSA-N 444.487 5.527 30 40 IKEB COC(=O)c1ccc(COc2ccc(/C=N/Nc3ccc(Cl)c(Cl)c3)cc2)cc1 12614102 KYRBHDRQSFRHRS-DHRITJCHSA-N 429.303 5.805 30 40 IKEB O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 15980174 GUSXMQOYSGXSHA-XLUWADSXSA-N 432.234 6.729 30 40 IKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 18116550 LFYMAAVEQYMJLZ-RUZDIDTESA-N 447.535 5.928 30 40 IKEB Cc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(F)cc1Cl 19841551 RMTPDEIIPQRWGJ-UHFFFAOYSA-N 441.959 6.213 30 40 IKEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 83316791 SAUSAIAFHZDIOQ-MTJSOVHGSA-N 433.489 5.232 30 40 IKEB CCCCCCCc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 97994903 DTFHOGGFOHRBSO-JOCHJYFZSA-N 448.563 5.227 30 40 IKEB CC(C)(Oc1ccc2c(c1)CC/C(=C/c1csc(-c3ccsc3)n1)C2=O)C(=O)O 98055729 KEBLOXOJXDWAAT-ZROIWOOFSA-N 425.531 5.326 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O 100263653 JACQLCOQEXLMCM-MGIMXWHHSA-N 448.588 6.066 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 102735451 ODMCDKCDPHGAPK-NHFXJNLRSA-N 430.485 5.078 30 40 IKEB N=C1S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)[C@H]1c1nccs1 137369549 PRUIOZILTKEDFV-JQHCICQGSA-N 442.565 6.293 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)c(C)c1 408763120 HOHMWOPQUINQDC-UUYOSTAYSA-N 435.980 6.256 30 40 IKEB N#Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cccc(Cl)c4Cl)NC3=O)o2)cc1 409021935 GFBZFPJITOWASO-ZDLGFXPLSA-N 440.311 6.017 30 40 IKEB N#Cc1ccccc1COc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Cl 409071740 PSYFZALKQVXBNF-OPEKNORGSA-N 442.262 5.193 30 40 IKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 409075869 YTFCPPAKNMUDJF-GATIEOLUSA-N 436.821 6.121 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(F)cc3)c2C(=O)NCc2ccco2)C1 409083195 UWNPKBZGDWRLPN-QWKVUHSCSA-N 438.568 6.312 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)c1 409117188 NRDABVIREVTDOO-RPPGKUMJSA-N 430.430 6.084 30 40 IKEB Cc1cc(-n2cccc2C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1Cl 409291036 OGEVWXHUVBDMOI-UHFFFAOYSA-N 444.966 6.079 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409326560 CDLLMJBZEGAJDA-UYRXBGFRSA-N 431.966 5.709 30 40 IKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC 815912 AVDNCSPUPQTZCG-PIIWDFAUSA-N 440.543 5.992 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O 2307931 XUIROGDAGSHYTR-JYAWBRCSSA-N 439.581 5.037 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4ccccc34)nc2c1 3090310 CTJCNYZBIXKWDW-UVHMKAGCSA-N 433.294 7.411 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 4109151 RXXRJWWFBRVIFN-JXAXBCJLSA-N 449.532 5.710 30 40 IKEB Cc1ccn2c(/C=N/OCc3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)nc2c1 8855354 SEHJEEPYJFLYTF-RPPGKUMJSA-N 444.749 6.821 30 40 IKEB CC(=O)N(/C(=N/c1ccc(Cl)cc1)c1cccc2ccccc12)c1ccc(Cl)cc1 16139008 IHQXJCBDJKFPTJ-AZPGRJICSA-N 433.338 7.278 30 40 IKEB CC1N(/N=C/c2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1/N=C/c1ccccc1 17140776 ZFJQYECGRCXXIO-FNAFAITPSA-N 444.582 6.501 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 19867068 BVHGKMCFFRAWEG-DFBJGRDBSA-N 431.532 5.008 30 40 IKEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccccc3Br)C(=O)N=C2S1 59222159 IHUGNZYRDWKPHS-MZHXHZAKSA-N 433.375 5.429 30 40 IKEB CCCCCCCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 102560364 PHLZTCZCSPTVNT-AREMUKBSSA-N 431.580 5.498 30 40 IKEB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@H]1CC2 118933142 BNXIOYCVQJVXLJ-QJTNWPHTSA-N 434.617 6.332 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408873823 XEHFUEMNQQYANE-CUYFYIMPSA-N 437.521 5.483 30 40 IKEB Cc1ccc(C)c(-n2c(C)cc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c1 408915803 ZBXDLCMQYKAVJC-BIZUNTBRSA-N 436.643 7.929 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c1C 408964252 CLWUWGNTFHQFIG-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 721887 JHZIQNXEODGTCH-IIMAJNMQSA-N 447.534 6.621 30 40 IKEB Cc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)o1 2421115 CJWNMWCWALCZOE-NHDPSOOVSA-N 439.261 5.228 30 40 IKEB CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(C)cc1 6078596 BIQLHQXSNLNOFX-LSOGTARGSA-N 442.009 6.199 30 40 IKEB O=C(/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 8742118 PPDRQVRXHGAUNP-WJDWOHSUSA-N 439.216 6.651 30 40 IKEB Cc1ccc(S(=O)(=O)/N=C(\c2ccc(Cl)cc2)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 9090801 WEDSNXWNOUSWQX-JWYWCWIRSA-N 448.935 5.010 30 40 IKEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 9185469 WYFYGZJNMVIGIE-MTJSOVHGSA-N 441.266 5.837 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1 9428408 QTVOMAAFYBSOLN-QFIPXVFZSA-N 446.459 5.090 30 40 IKEB Cc1ccc(-c2cc(/C=C/c3ccc4c(c3)OCO4)c(C#N)c3nc4ccccc4n23)cc1 12546257 JZBIZRLRAUIMER-XYOKQWHBSA-N 429.479 6.234 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@H]2c1ccc(Cl)c(Cl)c1 12589214 VEYXKXNYKUYFHP-FQEVSTJZSA-N 439.346 5.910 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1COc2ccccc2O1 13110218 DLXLREYHFKOVOH-GOSISDBHSA-N 434.348 5.576 30 40 IKEB O=C(/C=C/c1ccccc1Cl)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 13550217 SXXMKSLIGAJHBX-DTQAZKPQSA-N 437.882 6.190 30 40 IKEB O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cl)cc(Br)c2O)c(Cl)c1 16385806 IANUQNUGASGKDB-AWQFTUOYSA-N 447.116 5.291 30 40 IKEB N#C[C@@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1 17014717 SDMPHYZQABZFTH-YTTGMZPUSA-N 449.597 8.112 30 40 IKEB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 17097316 ZDMNJOWJFQHORJ-AWEZNQCLSA-N 431.001 6.220 30 40 IKEB CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 17145801 FFBCYWJTOBHJQY-GTZNUUOLSA-N 432.545 5.349 30 40 IKEB COc1cc2c(cc1N/C(=N/S(=O)(=O)c1cccs1)SC)oc1ccccc12 18101656 NPOMGEWZYOCRBU-UHFFFAOYSA-N 432.548 5.176 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)c1cc3c(cc1N2)OCO3 18196823 HMFASLZNPOGAOM-SANMLTNESA-N 425.484 5.559 30 40 IKEB C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2c(C)cccc2C)S1(=O)=O 20063588 NUCACDOZGDEVAF-UHFFFAOYSA-N 444.556 5.037 30 40 IKEB Cc1cc(Cl)cc(/C=N/c2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1O 38162651 AWSAOBYLNBZVLP-OPEKNORGSA-N 425.271 5.559 30 40 IKEB Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)Nc1cc(C(F)(F)F)ccc1F 202218146 RNAXZXSCJMGOHO-UHFFFAOYSA-N 438.230 5.096 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)S/C1=N/c1ccccc1 223472930 POPFFTGKMYRTFP-GGPVNALXSA-N 445.632 6.722 30 40 IKEB COc1cc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccc1O 408722808 NJGLURFUSNZTNF-ZVHZXABRSA-N 431.473 5.850 30 40 IKEB Clc1cccc(/N=C\c2cc(Br)c(I)o2)c1Cl 408855526 FZJLQLKJSVEMDY-BNCCVWRVSA-N 444.881 5.704 30 40 IKEB COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1cccc(C)c1 408863934 REEODDNBQDHPER-UCQKPKSFSA-N 448.519 5.613 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl 408940347 NVOMMVBBNMJINM-LNAYXSFYSA-N 438.958 6.929 30 40 IKEB CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc2ccccc2c1 408961610 SYDDEWQKIHYISQ-SIFMURAYSA-N 427.573 6.064 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)o2)c(C)c1 408966101 MUHUQPFSPMHKBP-UDWIEESQSA-N 436.464 5.072 30 40 IKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3cc([N+](=O)[O-])ccc3C)sc1C2 409046439 KQABKRCDEJJMGS-ZVBGSRNCSA-N 444.310 5.453 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1 1531384587 IKLCMJSFOJFCDN-VUTHCHCSSA-N 431.495 5.525 30 40 IKEB Cc1cc(C)cc(OCCn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)c1 1864440 OXMWSMJJKUYWTA-JVWAILMASA-N 440.572 6.393 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC 2084018 FAEGEQUQYWQHDI-LMTJQJACSA-N 444.556 6.031 30 40 IKEB O=C(Nc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl)c1ccc(Cl)cc1 3075024 LFVREQACIVDIDP-BHGWPJFGSA-N 448.693 6.558 30 40 IKEB Cc1c(C#N)c(N)c(C(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Br)cc1 8934136 ZAZGPSFUYLVTJS-UHFFFAOYSA-N 438.369 5.401 30 40 IKEB C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1O 9189713 XIXVULHATPSHKV-GFCCVEGCSA-N 449.363 5.263 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(CC)cc2)cc1 9454081 ZNHQUHCKIGMDLT-QHCPKHFHSA-N 446.503 5.117 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCCCOc1ccc(C)cc1 9762996 AEJVMBCAVVQZNI-YZSQISJMSA-N 447.560 5.907 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)cc1Br 10118905 QZSSQGRGUPBRQU-DHRITJCHSA-N 430.777 5.942 30 40 IKEB N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2cccc(Cl)c2)c1 12338442 WCASRPXLXNVLPU-UHFFFAOYSA-N 433.747 6.922 30 40 IKEB CCCCOc1ccc(C(=O)O/N=C2\CCc3c(Br)ccc(OC)c32)cc1 12469651 VPRIGUORBWNZAO-PTGBLXJZSA-N 432.314 5.144 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c1 13567941 YCARZFRIDBLSRY-SFHVURJKSA-N 425.912 5.193 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(OC(F)(F)C(F)F)cc2)c1 15134737 GXRKZAHPNVKLHZ-QPSGOUHRSA-N 437.143 5.050 30 40 IKEB CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1 16609895 YRFHSMKAQHRZLY-MFKUBSTISA-N 437.337 5.845 30 40 IKEB Cc1cc(C)cc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)c1 32984412 AITLCGFKXBMBHA-UHFFFAOYSA-N 435.520 5.709 30 40 IKEB COc1c2c(cc3c1[C@H](CC(/C=C/[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 61992898 SVSPODGIYWQUSW-GGDRDCHLSA-N 426.557 5.112 30 40 IKEB biogenic O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)/C(=N\Nc1cccnc1)C(=O)c1ccccc1 100843253 OSQSWUNBYNSBTR-MIXAMLLLSA-N 446.816 5.043 30 40 IKEB CCCCCCC[C@@H](/C=C\CCCCCCCC(=O)OCCCCC)S(=O)(=O)O 103663784 RRUXVNIIXRLORS-ZHFOUCBBSA-N 432.667 6.624 30 40 IKEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1OC 106698769 PDYYKFBYWHBAOD-GRSHGNNSSA-N 448.327 5.251 30 40 IKEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Br)c1O 408766502 UZKYNJIIMYVTFQ-PDGQHHTCSA-N 443.366 5.337 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O 408858909 UMUXCOKZNIOQOA-HMAPJEAMSA-N 436.964 6.482 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S1 408882590 RLTZVYYFNXEZEC-UCQKPKSFSA-N 445.588 5.920 30 40 IKEB CCCN1C(=O)/C(=C\c2cccc(OC)c2OCC(C)C)S/C1=N\c1ccc(C)cc1 408911149 JBBYDSSVBSJRQX-JUMVDPBBSA-N 438.593 6.052 30 40 IKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C(=O)N1CC 408930513 XZWDNWOCJNAONI-LMDBJESCSA-N 432.387 5.169 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 409209279 FCDWOCQALHOMOG-UVHMKAGCSA-N 448.777 7.547 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C2\C(=O)N(C)c3ccccc32)C(=O)N1c1ccccc1C 2081280 MVLAYSHQJMDJKV-YZYICMKNSA-N 439.540 5.459 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1 2398197 XXZZEPXXENDOQO-JAIQZWGSSA-N 429.230 5.968 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 8396177 ZOXAJRNZBHQPAZ-ZEHKLFRWSA-N 440.568 6.677 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C 9333839 DTIKOKWTKCGQDW-OAQYLSRUSA-N 446.572 5.840 30 40 IKEB COc1ccccc1CN1Cc2cc3cc(C)c(C)cc3nc2S/C1=N/C[C@H]1CCCO1 13562199 BSASZMQBWNRELJ-PLFNIDSXSA-N 447.604 5.503 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 16401699 ZRKMNFJXMHXVJI-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)cc1 16789275 GZSLEXOKCAOYQE-UHFFFAOYSA-N 434.348 5.325 30 40 IKEB COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 17101229 VNCWHQSXJQXCKY-LLVKDONJSA-N 437.392 6.338 30 40 IKEB O=C(O)c1ccccc1/N=N/C(=N/Nc1ccccc1C(=O)O)c1ccnc2ccccc12 17106659 IUTMHRDDOZEMKA-YTIFLZEHSA-N 439.431 5.189 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3cccc(CC)c3)c3ccccc3S2(=O)=O)cc1 32984291 CXYSUFMOZUIJBD-UHFFFAOYSA-N 433.529 5.297 30 40 IKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc2ccccc2o1 33586803 XRIVUKWFNAHKAC-UHFFFAOYSA-N 426.339 5.932 30 40 IKEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1 97464892 VIWOCADVAOAYEJ-BRBBDLJVSA-N 426.538 5.117 30 40 IKEB CCCCCCCCCCCCCCCC(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC#N 97949437 BUAOZWHUTYXTJD-QHCPKHFHSA-N 438.653 5.428 30 40 IKEB FC(F)(F)c1cccc(N/N=C2\C(SCc3cccc(Cl)c3)=Nc3ccccc32)c1 100408126 QJWOAXFZUNRGTI-BRPDVVIDSA-N 445.897 7.152 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cc2ccccc2o1 101191913 HTGWRTKZRFTSJH-UHFFFAOYSA-N 440.528 5.761 30 40 IKEB Cc1ccc2oc(-c3ccc(/N=C/c4cccc(I)c4)cc3)nc2c1 103752991 BGPZVNFGAVWQIN-YDZHTSKRSA-N 438.268 6.158 30 40 IKEB C=CCOc1cccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)O)c1 408635306 YYUOUEIJOBHQFI-RGEXLXHISA-N 441.940 5.401 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3cccc(OC)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408723054 PXHHUGJTXGFXPC-WGOQTCKBSA-N 443.528 6.707 30 40 IKEB CCCCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C)cc1 408915352 XSSGGCNOULTRON-YCJCGMCGSA-N 436.621 6.840 30 40 IKEB C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccccc1 409029716 APXNWHSXZGSYNW-NVJOKUIPSA-N 434.355 5.708 30 40 IKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409119189 RVIKSDYHIYPYHG-UHFFFAOYSA-N 432.520 6.222 30 40 IKEB Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc3ccccc23)cc1 409214276 WWRKMANEXNVJDE-MUFRIFMGSA-N 442.946 6.878 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#Cc4ccccc4)[C@@H]3CC[C@@H]2C1 2049238271 AXNNSHMUJUSTKY-OYPGSEKSSA-N 434.620 5.744 30 40 IKEB CCN(CC)C(=O)c1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(C#N)c1C 671763 SESPAEOBFANPOT-UHFFFAOYSA-N 445.997 5.839 30 40 IKEB C=C1C(c2ccccc2)=[N+](C2CCCCC2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 1829352 LQMAJFRCHHJTEF-WDYNHAJCSA-N 434.603 6.674 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(C(C)(C)C)cc1 2452810 CGNAIAUXNHSTRB-UHFFFAOYSA-N 434.609 5.722 30 40 IKEB COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc(OC)c1OC 9972233 VOONULXUNBRPOD-ODCWNRFASA-N 446.503 5.285 30 40 IKEB COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Cc1cccs1 12652214 LPLOBBGHUSLRJJ-SANMLTNESA-N 444.556 5.506 30 40 IKEB COc1cc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 14671912 BHQXVHWVJNSIQO-MHZLTWQESA-N 443.568 6.540 30 40 IKEB C=CCNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 16688543 DACYCGQUWKLMBT-UHFFFAOYSA-N 445.184 6.009 30 40 IKEB Fc1ccc(N2CCN(c3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n3)CC2)cc1 20218688 MVFAZLWCBJPGAR-UHFFFAOYSA-N 444.354 5.133 30 40 IKEB COc1cc(OC)cc(/C(O)=N/c2c(NCc3ccccc3)c3ccccc3oc2=O)c1 20228106 HAYUNQMYPKIQBG-UHFFFAOYSA-N 430.460 5.059 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 59193573 KMWIMCPHJDERHJ-UHFFFAOYSA-N 448.490 5.541 30 40 IKEB C=CCn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccccc1OC 95946820 GNCPNUPHSWYIOJ-UHFFFAOYSA-N 426.851 5.358 30 40 IKEB CCCCn1c(/N=C/c2cccc(OC)c2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176661 HRCUTNQEXHGTCL-NJZRLIGZSA-N 433.555 7.253 30 40 IKEB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3C(=O)[C@@H]4C[C@](C)(C(C(=O)O)=CC4=O)[C@@H]3CC[C@]12C 100236102 CPOBSJFACVUGSW-IDPWRQKYSA-N 428.613 5.697 30 40 IKEB CC(C)c1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 102401971 KSLNEJOAAJBDPU-ZCCPQQFYSA-N 425.528 5.474 30 40 IKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C#N 225780186 KDHBAMRBOXOOBP-UHFFFAOYSA-N 447.362 5.731 30 40 IKEB Cc1ccc(/N=N\c2ccc(N=C[C@@H]3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 408534828 MQCHFRWKJYSVHF-HSGJDDQRSA-N 439.475 5.320 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1CC 408560976 SGYJDXXHLAFVEG-UHFFFAOYSA-N 439.423 5.304 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1OC 408907383 MTWLDLRJOOYLBM-OQNHBUHUSA-N 430.529 5.508 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)N1C1CCCCC1 408912664 OJTLFACNJCTPBP-KIYRTQPJSA-N 446.660 7.483 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1Cl 409016908 BEVCVJSPSYJJQC-JFLMPSFJSA-N 438.980 5.970 30 40 IKEB C=CCn1c(C)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c21 409041209 ZUKRQELIYOSASD-JNNAGZRYSA-N 443.366 6.465 30 40 IKEB C#CCOc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 409071425 OFUVHWKKBVVMFG-NUGSKGIGSA-N 432.185 5.378 30 40 IKEB CCN1C(=O)/C(=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 409142615 DXTWEGMQZDBIMX-HPNDGRJYSA-N 435.593 5.177 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409200114 GSQBFLGOFLLZKN-BRJLIKDPSA-N 445.302 6.548 30 40 IKEB CCCOc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 5547978 HFDROJLHVNYNGZ-MOHJPFBDSA-N 425.528 7.164 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8821061 SMCKDVCEKVZXAZ-WOJGMQOQSA-N 425.853 5.400 30 40 IKEB COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 9344880 XMHJAHMAVCZNBK-QAYGKXGKSA-N 449.580 5.049 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 9497617 ZVADSQGUTJGYEF-UHFFFAOYSA-N 432.420 7.028 30 40 IKEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl 14087982 OGQLEJXJOKIYQV-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB CCCCCCOc1ccc(/N=C(C)/C(C)=N/c2ccc(OCCCCCC)cc2)cc1 15230325 LWEBAYLOXHIMSF-HCTXVGCHSA-N 436.640 8.490 30 40 IKEB COC(=O)c1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 19820361 DKVFUKRJNHFYCZ-UHFFFAOYSA-N 432.549 5.565 30 40 IKEB CCCNc1c(/N=C(\O)Nc2ccc(Br)cc2F)c(=O)oc2ccccc12 28048818 CHVHASGTDRFGBP-UHFFFAOYSA-N 434.265 5.174 30 40 IKEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224618192 LHYVPVUXMRYZNR-UHFFFAOYSA-N 440.270 5.402 30 40 IKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(Br)c3)cc2)cc1 408808597 MRGGYWZMCYYULX-OYKKKHCWSA-N 439.309 5.226 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(C(=O)OC)=C1C 408873298 SJWJCVRYNUDGPD-WQRHYEAKSA-N 445.346 5.260 30 40 IKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)c2ccccc21 408911952 LDTWGMGZSBEVQR-CKWMIRMWSA-N 429.589 6.538 30 40 IKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl 408936384 FUDCDNAHHZABAY-BACCJKGJSA-N 442.990 7.706 30 40 IKEB O=[N+]([O-])c1ccc(COc2c(Cl)cc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409048726 SUQQNLJEGHPLBO-FOKLQQMPSA-N 446.246 6.139 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409087556 BPTHPTMWFVRKDP-WYMPLXKRSA-N 431.326 6.065 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OC(C)C 409283849 SEDXUNFTDHWAKB-UHFFFAOYSA-N 448.748 5.044 30 40 IKEB CCc1ccc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc1 409290474 TWXJPCYCMVCDLJ-UHFFFAOYSA-N 439.559 5.949 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(OCc2cccc(F)c2)cc1 1531384063 UGTZVYNTZKQLMN-UXHLAJHPSA-N 449.485 5.664 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)C(=O)CC[C@@H]43)C2)cc1 2049238333 HNTMKSKJRZRWKS-VCMKMEKSSA-N 444.637 5.681 30 40 IKEB Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 1031956 DBYDZGCAIPUUFW-WNMDNWPKSA-N 443.572 5.198 30 40 IKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@@H]1C 4028961 KXDYHZVEOJTNPL-HFDPPSNWSA-N 441.656 6.539 30 40 IKEB biogenic CCCCCCCCCCCCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C 8398370 VCNKXKFMMFRLDU-UHFFFAOYSA-N 433.641 5.336 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820958 OCQSUEVPZLYZPD-VCHYOVAHSA-N 449.746 6.798 30 40 IKEB Cn1cc(/C=C2/S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c2ccccc21 8821712 ICRDPCTXTPJWDN-CAOOACKPSA-N 435.858 5.742 30 40 IKEB O=C1/C(=C2\C(=O)c3ccc(Cl)c4c(Br)ccc2c34)Sc2ccccc21 8870399 FEMHCBZWAALZHS-CAPFRKAQSA-N 427.706 6.152 30 40 IKEB CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 9184904 KWIUMPRZTZTLAA-FQEVSTJZSA-N 446.484 5.071 30 40 IKEB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc4cccnc34)c2C#N)cc1 9222251 SEHYZRUDIJDDCJ-UHFFFAOYSA-N 440.528 5.216 30 40 IKEB CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(CCCC)cc3)S2)cc1 11690588 USEAFHQMBMCKAE-ZCBHOAFYSA-N 437.609 5.372 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1c(C)cccc1C 14133424 VIGRJZBSWBHWBB-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)SC1=S 26593479 CAORUSWTRMNMPI-STZFKDTASA-N 425.575 5.360 30 40 IKEB O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3)c2-c2ccccc2)cc1 100477793 PJXQOISFEQFHIP-MWAVMZGNSA-N 443.506 7.470 30 40 IKEB CCCCCCCCCCCCCCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 101507669 DPQZQCCRBBTKJP-UHFFFAOYSA-N 432.649 7.928 30 40 IKEB Oc1ccc(/N=N/c2ccc(Cl)cc2Cl)cc1/C=N/Nc1nc2ccccc2s1 103431242 OMUUILJZYRYNHW-BYQCITFHSA-N 442.331 7.170 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1 108183925 IJJBLXDWEOLXDD-LGJNPRDNSA-N 445.397 5.647 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)c1 223552979 WIHNYTHXMXKKEG-NLKUQUHMSA-N 433.621 6.387 30 40 IKEB N#Cc1cn(C(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c2ccccc12 226361828 WUDPPLIZUNAWBD-UHFFFAOYSA-N 425.669 5.877 30 40 IKEB C=CCO/N=C(\CCC)[C@@H]1/C(=N\OCC)C[C@@H](C[C@H](C)SCC)C/C1=N\OCC 257345404 MSKXSYDVWIKAML-NGDFJGCUSA-N 425.639 5.688 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCCC2 408970799 KMWLOMFHEYCIPL-PCLIKHOPSA-N 433.533 6.318 30 40 IKEB CCCCCCCCNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408978201 LEUJWCMSHMYKEE-UHFFFAOYSA-N 449.645 7.177 30 40 IKEB CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N1C(C)C 409199350 BRUBILYGTJZEQJ-MBCVIIHWSA-N 432.929 5.387 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)S2)cc1 409245278 QDYLBPMHPODQJM-KQWNVCNZSA-N 446.597 6.437 30 40 IKEB COc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1OC(C)(C)C 409402386 HOXHSDYDGXDLGS-UHFFFAOYSA-N 427.504 5.132 30 40 IKEB CCCCCCCCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2753079 XBNQFXDAVXSIQJ-UHFFFAOYSA-N 432.564 6.501 30 40 IKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 3025711 PNQQPEFGMNQVAF-AMKUCRCLSA-N 448.276 6.581 30 40 IKEB O=C(Nc1cc(Cl)c(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1Cl)c1ccccc1 3075010 PEMWTOAYVFESNQ-FOKLQQMPSA-N 430.247 5.610 30 40 IKEB CC(C)CCCCOc1ccc(/C=N/N=C/c2ccc(OCCCCC(C)C)cc2)cc1 4752103 TXHYCHHZIMRKFD-VFIVCBTMSA-N 436.640 7.550 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OCC(F)(F)F 8426830 VMRBXAQNCGPVSW-KXEZBXAJSA-N 432.147 6.410 30 40 IKEB C/C(=N\Nc1nc(-c2cc(C)ccc2C)cs1)c1cc2c(ccc3ccccc32)oc1=O 8690239 PMHRVSSRXJGKHI-OGLMXYFKSA-N 439.540 6.523 30 40 IKEB CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 8741465 VXPYLFGBYLCGDV-NRFANRHFSA-N 432.545 5.219 30 40 IKEB O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3ccccc3F)ccc21 8992355 OJVRAVBIALOSCX-AFPJDJCSSA-N 438.838 5.541 30 40 IKEB O=[N+]([O-])c1ccccc1OC/C(=N/OCc1ccc(Cl)cc1Cl)c1ccccc1 12959341 FKJCKTPLZULWMM-CLCOLTQESA-N 431.275 5.902 30 40 IKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O)CC(C)C 20650856 HNJWVSUANJKIDK-YVNNLAQVSA-N 431.935 5.915 30 40 IKEB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)/C=C/C=C/c1ccc(N(C)C)cc1 43798958 FOGDMDKUICLTOJ-YDFGWWAZSA-N 442.506 6.656 30 40 IKEB CC/N=C1\S/C(=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N1CC 59104310 MHKZNVJZNAIUDI-UINIZAEWSA-N 429.589 6.073 30 40 IKEB CCCCCCCCCCCCCCCCNC[C@@H](C)Oc1ccccc1[C@H](C)CC 100023679 XWWTVMGSPSROHZ-KAYWLYCHSA-N 431.749 9.038 30 40 IKEB Cc1cccc2c1N(C)C(=O)/C2=C1\S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 100259682 VPOZDOUCRJMOSM-RMPMBVSISA-N 425.513 5.150 30 40 IKEB N#Cc1c(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)sc2c1CCCCC2 102617082 PDTHESGUVCMFFV-ZNAOMFPMSA-N 447.442 5.951 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2ccccc2CC)cc1)S(=O)(=O)c1ccc(C)cc1 224477429 UABFTOYCYSHDRO-UHFFFAOYSA-N 448.588 5.187 30 40 IKEB C=CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc12 226360181 RNPVOKBOBCBELX-UHFFFAOYSA-N 447.126 5.770 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1cccc(F)c1 408528121 COHYFLVXRYHFGD-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCCC3)o2)S/C(=N\c2ccccc2)N1C1CCCCC1 408724656 AVFRQZBQMXLKRN-BESZJCKESA-N 435.593 6.207 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 408744300 ZKKDFOYRHMFDRU-HZHRSRAPSA-N 431.561 5.693 30 40 IKEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(OCC)c1OCc1ccccc1 408750695 QMAQQHBEMXOTNF-YSMPRRRNSA-N 432.480 5.142 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccccc1 408859939 VVEMSJFVKIMMJX-OOJFIWEFSA-N 426.585 7.023 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1 408912363 FKHYYPBCUFGINP-QRQIAZFYSA-N 426.516 7.073 30 40 IKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(C(F)(F)F)c1 409075709 ZGQMFLJTHVALOL-XODNFHPESA-N 427.495 6.676 30 40 IKEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc2ccccc12 409085767 ZEBKURZTNPUTMP-JLPGSUDCSA-N 435.479 5.772 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1C 409203720 XNOUSUKDXBLNJN-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 409209536 CGJKUYGQXASGDK-AFUMVMLFSA-N 448.371 6.383 30 40 IKEB CC(C)Oc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409407101 ZUCJZMQIHSAGNS-UHFFFAOYSA-N 433.511 5.886 30 40 IKEB C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OCCC)N(C(C)=O)c1ccccc1-2 2113705 URRABKAIJCGFKU-HSZRJFAPSA-N 448.548 5.050 30 40 IKEB CCCCCCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2326269 LFEKAHZLLJMPIM-UHFFFAOYSA-N 434.584 6.492 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccccc2OC(F)(F)C(F)F)c1 3039889 LGOSWVFDHIGGEC-QPSGOUHRSA-N 437.143 5.050 30 40 IKEB COc1ccc(N2C(=S)N/C(=N\c3ccc(C)cc3)C23CCC(C(C)(C)C)CC3)cc1 3146509 CCOVAHATCKNBJA-UHFFFAOYSA-N 435.637 6.403 30 40 IKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(/C)c4ccc([N+](=O)[O-])cc4)c3c2C1 6462292 UNCNVXBRFJEQID-JAYSCUBMSA-N 437.569 5.977 30 40 IKEB CCCCCCCCCCn1c(SCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8426364 JXQPPCVBOZTTGA-UHFFFAOYSA-N 436.666 5.627 30 40 IKEB N#Cc1ccc(Sc2cccc(C(F)(F)F)c2)c(NC(=O)Nc2ccccc2Cl)c1 8873904 XTJWEMKOZUPCPI-UHFFFAOYSA-N 447.869 7.026 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3ccccc3[nH]1)[C@H]2c1ccccc1 9281384 LSFLZNUJDFQEQS-NDEPHWFRSA-N 448.570 6.380 30 40 IKEB CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 9380306 YKUIWDOCWKLGNG-WTYVLRPYSA-N 440.562 7.103 30 40 IKEB COc1ccc2ccccc2c1[C@@H]1NC(SCc2ccc(F)cc2)=NC(C)=C1C(C)=O 9779829 NOBPYJFWIRGTQQ-XMMPIXPASA-N 434.536 5.784 30 40 IKEB C=CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1nc2c(s1)CCCC2 15969126 MGCHOMWXZVMHRQ-UHFFFAOYSA-N 437.179 5.863 30 40 IKEB Cc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O 32115314 WBTACRFFCXCOAF-JQAMDZJQSA-N 433.241 6.844 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3ccc(OCC)cc3)c3ccccc3S2(=O)=O)cc1 32984302 MZWDMBFFYVULMD-UHFFFAOYSA-N 449.528 5.134 30 40 IKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 36611397 HOKXCGCPWDHIQJ-NUGSKGIGSA-N 440.903 5.652 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 43743141 MQYXUWHLBZFQQO-VKZILGBASA-N 426.729 8.025 30 40 IKEB FC(F)(F)C(Cl)(c1ccc(C(Cl)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F 95671331 XRHPFOONVSUEOY-UHFFFAOYSA-N 447.046 6.804 30 40 IKEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 96346566 MVJQJXABALXQCO-OALUTQOASA-N 426.545 5.811 30 40 IKEB Cc1ccccc1N1C(SCC(=O)O)=N/C(=N/c2ccc(Cl)cc2)C12CCCC2 102468978 FKYZXTYOUZRWRR-HIXSDJFHSA-N 427.957 5.685 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 223491275 HHUJBKQSFPYLSP-NDZAJKAJSA-N 440.587 7.648 30 40 IKEB O=C1C[C@H](c2ccco2)CC(O)=C1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Oc2ccccc21 230106321 RGXYSKFXYUNLBJ-ITNZAGEZSA-N 442.467 5.708 30 40 IKEB CCCCCCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 408764543 UNPSXKZCCTYOHF-QNGOZBTKSA-N 442.353 6.143 30 40 IKEB O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1ccc2c3c(cccc13)CC2 408765367 LIESOPCEQSHTLF-UNOMPAQXSA-N 435.346 5.593 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2-c2ccccc2)S1 408774766 CWMDRZXKQROZHH-BWAHOGKJSA-N 449.579 6.653 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O 408959808 GEUSAIZGBUKICA-ODLFYWEKSA-N 432.376 5.794 30 40 IKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(Cl)c1 409072500 VRKYNTFEMWGDMC-CVKSISIWSA-N 436.895 6.315 30 40 IKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 409202227 QMMNNZLDKYFOQK-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1C 409214839 UWBBLMXLOZLYCP-DHRITJCHSA-N 438.321 6.094 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 409218413 UZQJGHPTFPQNGU-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)SC1=S 409330799 MVRWMTUBXWCHRC-JCMHNJIXSA-N 438.618 5.499 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 853748 WYHRPDDRWYVJSZ-LVXARBLLSA-N 445.559 5.399 30 40 IKEB N#Cc1c(NC(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)sc2c1CCCC2 1329258 UQBDSVMAPNZIAG-UHFFFAOYSA-N 445.573 5.168 30 40 IKEB CCCCCCCSc1nc(=O)c2sc3c(c2n1Cc1ccccc1)CCCC3 2127310 MCIBFYLGUGOLHO-UHFFFAOYSA-N 426.651 6.448 30 40 IKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C(/C=C/c3ccccc3)C3CC3)N=C2O)cc1 8386181 KOOIHWWTGDBETJ-GUOJDHJSSA-N 432.549 5.231 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2nnc(Cc3ccccc3)o2)n(C2CCCCC2)c1C 9745994 QIGNWVDFTVDSCE-UHFFFAOYSA-N 449.580 5.186 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccco1)c1ccc(Cl)cc1 15919818 JAPKKBXTMDABJR-QFIPXVFZSA-N 446.890 5.235 30 40 IKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Br)c1 32100515 YAXMRLGQMKDVSI-CSKARUKUSA-N 429.539 6.064 30 40 IKEB COc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 33787294 IGVLEFXXLKFLIN-ZMFRSBBQSA-N 442.874 5.056 30 40 IKEB O=C(/C(=C/c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1 50647519 FJJQMFYEXUTOTN-UYRXBGFRSA-N 429.426 6.069 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc(Br)cc(OC)c2O)sc2c1CCCC2 96834357 FPBONRSHIXGXQJ-UFFVCSGVSA-N 438.343 5.031 30 40 IKEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1 101069934 PYMUSMSFXJNWAN-JBCNATCCSA-N 448.316 5.384 30 40 IKEB C=CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(I)c1 226325031 YTRBQHLWPGPOIN-UHFFFAOYSA-N 444.268 5.366 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)S2)cc1 408535021 XGCIKSWZNPRQSQ-HMAPJEAMSA-N 444.512 5.164 30 40 IKEB Cn1c(N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)nc2ccccc21 408651577 GWEJJSYZQXGMEB-STBIYBPSSA-N 429.527 6.176 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408673950 WIESXPJQMMLAAM-LDTXMFMOSA-N 438.612 6.082 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccc(OC)cc2)cc1 408723225 RKYBDGLMDPKTKN-MFKUBSTISA-N 445.500 6.153 30 40 IKEB O=C(NC1CCCCC1)c1c(/N=C/c2ccc(N3CCCCC3)cc2)sc2c1CCCC2 409057576 KDFHEOFIEUWHFM-TURZUDJPSA-N 449.664 6.430 30 40 IKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)c(C)c1 409101144 VWSPHMUAXZDSJG-LUOAPIJWSA-N 430.430 5.049 30 40 IKEB CCOC(=O)c1ccc(/N=C\c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)cc1 409117698 MAMPXGGVVQVSHN-QRVIBDJDSA-N 436.493 5.080 30 40 IKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1C 409200033 FQYGUCAHWQQPGB-DHRITJCHSA-N 438.321 6.094 30 40 IKEB Cc1cc(N2CCCC2)ccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409304379 JUWRJLYGCSIYPU-UHFFFAOYSA-N 448.526 5.601 30 40 IKEB CC(=O)c1ccc(-c2ccc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 409408289 XHZPICUAEKYZMB-UHFFFAOYSA-N 433.467 5.408 30 40 IKEB Cc1ccc2occ([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccccc3)C4)c(=O)c2c1 883185 WJFKHABEGSLKLN-WHLCRQNOSA-N 448.522 6.081 30 40 IKEB biogenic Cc1ccc2c(c1)c(/C=N/Nc1nc3ccccc3s1)c(C)n2Cc1ccccc1Cl 1848535 ADGWLKZNTRFKKD-MZJWZYIUSA-N 444.991 7.016 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 2442174 VJGCUXAZTIJLFZ-UHFFFAOYSA-N 449.986 5.818 30 40 IKEB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1 3250395 OHTHBAXIZZKYRX-QGZVFWFLSA-N 430.529 5.456 30 40 IKEB CCCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 4061087 XZEHBYKROOPHBY-DEOSSOPVSA-N 437.580 5.565 30 40 IKEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 8751896 TYZPBQZNVYCPOV-MOHJPFBDSA-N 439.300 6.416 30 40 IKEB COc1cccc(CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)c1 8809683 MEHXWZDGGSFZHP-UHFFFAOYSA-N 426.516 6.727 30 40 IKEB C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 8869470 SLFKMUZAMXAILW-HSZRJFAPSA-N 427.456 5.005 30 40 IKEB COc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 9313188 YEMALLOEYDMFDR-QHCPKHFHSA-N 436.552 5.551 30 40 IKEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC(=O)c2cccs2)cc1 12952450 XRHGQZQIQFRREW-UXBLZVDNSA-N 443.318 5.635 30 40 IKEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 15415766 NOUUKUPHMYYWFK-VWLOTQADSA-N 448.607 5.557 30 40 IKEB CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1 16638414 QGIOVAQZOFKZQV-ZXVVBBHZSA-N 430.504 6.687 30 40 IKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(F)c1 17094712 FXUFHSLBMIQNJU-UHFFFAOYSA-N 426.234 6.065 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2C#N)C1 17102952 ANNDOOXHPKIFSS-OAHLLOKOSA-N 438.980 6.936 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3noc4c3CCc3ccccc3-4)c2C#N)C1 20137772 JDWZNYXLRZPBNZ-HNNXBMFYSA-N 431.561 5.777 30 40 IKEB N#Cc1cc(-c2c(C(=O)Nc3ccc(F)c(F)c3)oc3ccc(F)cc23)cn(C2CC2)c1=O 32913476 APLSXPQPGZOUAB-UHFFFAOYSA-N 449.388 5.138 30 40 IKEB O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 96767457 ASEVCKUUHATXDL-VURMDHGXSA-N 429.404 5.034 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2[nH]1 102895957 IHKGKJQHIIWIAQ-UHFFFAOYSA-N 436.171 5.758 30 40 IKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCC 104136873 XUXHXFXVUACXPI-NXVVXOECSA-N 436.765 10.098 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)SC1=S 113832910 SPAPWULGJWIGNB-GZTJUZNOSA-N 433.396 5.244 30 40 IKEB CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO)OP(=O)(O)O 165263188 CKJMLYSHLAGUPS-XTXLJPNXSA-N 436.526 5.037 30 40 IKEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C(=O)N1C 408930379 WFFPFWOLDWCYDW-MDRWVBAWSA-N 437.348 5.113 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)o1 408961295 MIRIWRIGHSBACC-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB COc1cccc(Oc2ccc(/N=C/c3cc(OC)c(N4CCCC4)cc3OC)cc2)c1 409099488 SYYAPVAIVJFICT-OVVQPSECSA-N 432.520 5.856 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O 409104364 YHPNXSBQMSQUNV-WOJGMQOQSA-N 434.344 6.103 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)cc2)c([N+](=O)[O-])c1 409107325 QXQHLCRULNBHGV-YSURURNPSA-N 447.329 5.155 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409202908 UFTURUJSFRINIY-ZVHZXABRSA-N 439.309 6.249 30 40 IKEB Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1Cl 409208014 AEUDRDQJPNWSLI-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB N#Cc1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2c(c1C(F)(F)F)CCC2 663985 IRYFQOKCYOZVCY-UHFFFAOYSA-N 446.281 5.498 30 40 IKEB O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1c2ccccc2cc2ccccc12 3174070 VTLQNOGJAOMSJU-WKULSOCRSA-N 431.520 6.314 30 40 IKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(Br)cc1 8733528 YINCKGVZGZNBRC-UHFFFAOYSA-N 436.161 6.841 30 40 IKEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1OCCCOc1cc(C)cc(C)c1 8984751 UIXVBPAIQWXJRH-YZSQISJMSA-N 449.507 5.514 30 40 IKEB N#Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 9064745 PLWAKTNJBLEVKN-JXMROGBWSA-N 442.327 5.651 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc(Cl)cc(Br)c1O 9323667 MJFSBIZOFSFZLK-CGOBSMCZSA-N 438.587 5.181 30 40 IKEB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccccc1Sc1ccccc1C#N 12972132 XCWFRGNEDKPWJG-UHFFFAOYSA-N 435.936 5.074 30 40 IKEB Cc1ccc(Nc2nc(N/N=C/c3cccc(F)c3)nc(Nc3ccccc3)n2)c(C)c1 14920431 PAHLKGNGKJEPSL-CVKSISIWSA-N 427.487 5.561 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1 18107290 WODPAPKCXDYOQJ-CLYVBNDRSA-N 444.531 6.354 30 40 IKEB COc1ccc(Cl)cc1/C=C1/S/C(=N/c2ccccc2)N(CCc2ccccc2)C1=O 19648394 LDCPFOAQXFUYRA-KEAZEDSHSA-N 448.975 6.195 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1ccc(F)cc1 21722055 XTHBDTKCZISFML-VWLOTQADSA-N 447.535 5.506 30 40 IKEB N#Cc1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCN(Cc1ccccc1)C2 23153767 GDNKOYARACQRRG-UHFFFAOYSA-N 437.568 5.512 30 40 IKEB CC(/C=N\Nc1nnc(N/N=C\C(C)=C\c2ccccc2)c2ccccc12)=C/c1ccccc1 31669988 BPCYNUABEPJTQI-DIWKJPODSA-N 446.558 6.632 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1c(F)cccc1Br 32109733 UQURUUMTWQMPPF-SSDVNMTOSA-N 431.265 5.350 30 40 IKEB COc1ccc(/N=C2\[C@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)cc1 33435831 BLELGNIPSPWMPO-HELSZXIZSA-N 431.580 5.577 30 40 IKEB C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccccc1 44085767 WTWVPSZPHWQICV-UHFFFAOYSA-N 428.355 5.229 30 40 IKEB CCCCCCCCCCCCS(=O)(=O)NCCCCCCCCCCC(=O)O 100921947 MLARVAXCQAJASB-UHFFFAOYSA-N 433.699 6.422 30 40 IKEB COc1ccc(-n2c(=S)ss/c2=N\C(=N\c2ccc(C)cc2)c2ccccc2)cc1 101973130 VZICHORWUKWPDI-ZINFLPCDSA-N 449.626 6.326 30 40 IKEB CCCCCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102621439 MEOYOBMIGCKVMI-AYWGPLOBSA-N 446.503 5.178 30 40 IKEB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/c1ccc(OC(F)F)cc1 102957272 WEJPPJPSKIVKPD-NSKAYECMSA-N 429.776 6.205 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408594993 VGAJHBIFVRKTLK-ZMOGYAJESA-N 426.856 5.387 30 40 IKEB CCOc1cc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccc1O 408722591 LLTWJXPJMJFVCU-MFKUBSTISA-N 445.500 6.240 30 40 IKEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408814869 WJMBTNZNZJIZOM-XSFVSMFZSA-N 446.890 5.033 30 40 IKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c(Cl)cc1Cl 408931788 QHFGFQKVXFKTGA-ZMOGYAJESA-N 446.290 5.749 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)c(OC)c1 408978334 YUNILPUNAOZHMF-JVWAILMASA-N 443.572 6.557 30 40 IKEB COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCc1ccc(F)cc1 409043221 YHROEXTXJBCIKO-OXUBWTJQSA-N 442.306 5.127 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)S/C1=N/c1ccc(Cl)cc1 409077811 FYQNMKPNULXOOR-REHDBGDWSA-N 425.985 5.954 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409213221 TVOZYOIPFMIZBJ-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB CC[C@H](C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409402898 GQPXVPPTFIXUSW-KRWDZBQOSA-N 442.475 5.031 30 40 IKEB CN1C(c2ccccc2)=CC2=C(C3=C4C=CC(=[N+](C)C)C=C4CC3)CCC2=C1c1ccccc1 685944496 SJZLVRWNTDLXQG-UHFFFAOYSA-N 443.614 6.774 30 40 IKEB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3sc4c(c3C#N)CCOC4)c2c1 892257 BNONBWVVBPYBJT-UHFFFAOYSA-N 425.513 5.468 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 2351980 GYJHFIMPDCWRBR-UHFFFAOYSA-N 429.568 5.224 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(OC)c(OC(C)C)cc2Cl)N(c2ccccc2)C1=S 2799447 HYWBRNUFGZTPBS-XDHOZWIPSA-N 442.968 5.296 30 40 IKEB Cc1cc2nc(-c3ccc(/N=C/c4c(C)c(Cl)c(C)c([N+](=O)[O-])c4O)cc3)oc2cc1C 3083472 WYETVGPODDSPKE-KBKYJPHKSA-N 449.894 6.746 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1C1CCCCC1 3263180 KFWALPZKNMNMCH-UHFFFAOYSA-N 438.569 5.557 30 40 IKEB CC1(C)[C@H]2CC[C@]1(C)[C@H](/N=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2/N=C/c1ccc([N+](=O)[O-])cc1 4266667 AXCIBLMNRMNTNI-ASEPGDSNSA-N 434.496 5.234 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c1O 8386652 ZPBDKTMLFSLHGD-ZMOGYAJESA-N 439.855 5.355 30 40 IKEB COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1COc1cccc(C)c1C 9065203 FIDBMWCMAPYQQU-RVDMUPIBSA-N 438.523 6.646 30 40 IKEB CC/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(Oc2ccccc2)cc1 12603112 RSNLHOWADFMZAW-UPKSYYNSSA-N 444.516 5.720 30 40 IKEB N#Cc1c(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1-c1cccs1 19597308 QQLAWLMCPNOYGU-UHFFFAOYSA-N 434.590 5.013 30 40 IKEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccc(-c2ccccc2)cc1 19808093 VGQLRFOGNGBQPU-DFKUXCBWSA-N 429.567 6.075 30 40 IKEB CCN1C/C(=C/c2ccccc2OC(F)F)C(=O)/C(=C/c2ccccc2OC(F)F)C1 25158350 TXHCLNMMWYZGSW-MJZABRMRSA-N 435.417 5.261 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)o1 59459393 SYTOYJVWRJGTDP-NDENLUEZSA-N 435.461 5.063 30 40 IKEB CCCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 59484177 ADRIBBYLRLXFQY-UHFFFAOYSA-N 449.635 6.619 30 40 IKEB O=C1/C(=C/c2ccc(-c3ccc(I)cc3)o2)Sc2ccccc21 59503507 AXYQGDOBXFGFEJ-WQRHYEAKSA-N 430.266 5.881 30 40 IKEB CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc23)C[C@H](c2ccccc2)CC1=O 100138545 WIHOITWLAPDKRG-QFIPXVFZSA-N 442.603 6.077 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCC)cc2OCC)S/C1=N/c1ccc(OC)cc1 101081407 GCOMRJCXIGJCTA-HLTANSAUSA-N 440.565 5.507 30 40 IKEB Cc1cc(C)c(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c(C)c1 101651100 UHTGJRLKEMQTEK-IPVOUAOMSA-N 429.973 5.164 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 102582600 DRKMWZBPSIYESD-MRJHHRETSA-N 448.862 5.183 30 40 IKEB Clc1ccccc1/C=N\c1ccc2c(c1)Cc1cc(/N=C\c3ccccc3Cl)ccc1-2 104391458 XGFBVDAHUXIEKP-SXPCWOMBSA-N 441.361 8.066 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)S/C1=N/c1ccccc1 223484989 JQIGWLKZZUCQEL-WFFFFOTMSA-N 445.632 6.721 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)c2c1 408785381 YYDILLDTAYMAJY-HMAPJEAMSA-N 436.508 5.668 30 40 IKEB CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408876907 QYNUORSWDJEPNV-WOARFCOISA-N 438.568 6.550 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)S/C1=N/c1ccccc1 409154990 HYTOOXQAFJTMIX-IZSQXYTLSA-N 433.489 5.787 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409215027 ZFMOAXMMJUFXIY-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB CSc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 8396338 OPLJQUSNFAWQNM-JTUXUYRKSA-N 430.598 6.834 30 40 IKEB COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 8857110 CTIPLYGVRCKMJB-DRXICBGTSA-N 431.488 5.157 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)cc1 9601154 RQYTZFCFQAGKKK-BJUXRVGASA-N 434.348 5.140 30 40 IKEB Cc1ccc(C)c(CSC2=N[C@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)c1 12954246 INAACLLPXVNCRV-XMMPIXPASA-N 428.532 5.984 30 40 IKEB O=C(/N=C(\N=C(/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1)c1ccccc1 18101056 CJAYAGYQYNFEKS-UHFFFAOYSA-N 448.482 5.741 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(Oc3ccccc3)c1)n1ncnc1N2 18197987 URQJYBWTKMYXPV-OSPHWJPCSA-N 440.528 5.548 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1Cl 32611902 OOJFMENNZPYZND-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CCOc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccccc1 57622567 SBXVKUKNWLNMAT-PCLIKHOPSA-N 430.533 5.468 30 40 IKEB O=C(c1ccccc1Cl)c1cc(Cl)ccc1/N=C\c1cc(Br)ccc1O 90451224 QGOJPMZZECMTCD-MYKKPKGFSA-N 449.131 6.443 30 40 IKEB Cc1cccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)c1C 100145884 RRQVCRXIBRNXBB-CVKSISIWSA-N 429.428 5.678 30 40 IKEB O=C(CC/C(C/C(=N/O)c1ccc(F)cc1)=N\O)N(Cc1ccccc1)Cc1ccccc1 104283321 NWEHDIQJVKGIOJ-CIMIHRMLSA-N 447.510 5.234 30 40 IKEB COc1c([C@@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2/C=C/C(C)=O)c1C(=O)O 225418857 OCPBLASCIPIYAJ-QQUYBBDPSA-N 442.508 5.536 30 40 IKEB biogenic,in-vitro Cc1nc(N)c(C#N)c(-c2ccccc2OCc2cccc(Cl)c2)c1-c1ccccc1 408820856 ZTQYOTIOLKTHFI-UHFFFAOYSA-N 425.919 6.410 30 40 IKEB Cc1c(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1C 408863437 RTGAXBLSSKVTED-XREFYLPJSA-N 443.616 6.669 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 409078854 IKTLHFZFAKVRAC-ODLFYWEKSA-N 442.273 6.056 30 40 IKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 409105371 NBYFNBLKPDWVII-AUEPDCJTSA-N 434.330 5.536 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 409214012 WPXWGHDOTDSRAI-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)cc1 409323700 PHLMVDSCONXQSG-UHFFFAOYSA-N 440.341 5.098 30 40 IKEB CCOc1cc(/C=N\N2C(=O)CSC2=S)ccc1OCc1ccc2ccccc2c1 409327972 OMJWCKYMOYIAMS-CFRMEGHHSA-N 436.558 5.012 30 40 IKEB COc1ccc(NC(=S)N/N=C/C=C(\Cl)c2ccc(Cl)cc2)c(C(F)(F)F)c1 2557730 LTBMNFZBNXPHQL-DNOKQKMISA-N 448.297 5.920 30 40 IKEB Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1cccc(C#N)c1 9197842 WFDFOPSIGBCZFB-IPPBACCNSA-N 447.369 6.300 30 40 IKEB Cc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c(C)n1C 12630123 FWRFGOIJOMUYSH-AMQQTSRNSA-N 445.544 5.144 30 40 IKEB C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccc(C)c1 14082113 IVSAHPWJZOTXKO-UHFFFAOYSA-N 447.589 5.294 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nc2sc(C)c(C)c2c1=O 16713317 BAMJBYXGTYAYEZ-UHFFFAOYSA-N 439.389 5.543 30 40 IKEB Brc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682399 JEYYRFVFUFXRQW-ONUIUJJFSA-N 432.365 5.171 30 40 IKEB Oc1ccccc1/C=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 20033377 BRGJIRDEULZHNL-VVLOWPPNSA-N 444.578 7.020 30 40 IKEB COc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 20195720 SSGSAOJUQCDPIC-LGJNPRDNSA-N 445.346 5.713 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)c1C 25394003 NXRHIXYVJWQZKC-UHFFFAOYSA-N 431.561 5.613 30 40 IKEB COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1COc1ccc(NC(C)=O)cc1 33352232 SRHPYMJSPOOPMI-QNGOZBTKSA-N 427.500 5.445 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(Cl)cc1 100355380 DCFHCQYWHWVOGA-SZXQPVLSSA-N 438.125 7.619 30 40 IKEB FC(F)(F)c1cccc(N/N=C2\C(SCc3ccc(Cl)cc3)=Nc3ccccc32)c1 100408130 CUBMUTBLSJLTFF-BRPDVVIDSA-N 445.897 7.152 30 40 IKEB CCCCCCCCCCOc1ccc(-c2c(=O)n(OCC)c3ccccc3[n+]2[O-])cc1 100931110 LVUXJFGBLKYUHT-UHFFFAOYSA-N 438.568 5.270 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)cc2)cc1 198086267 VKKVMYWAOPTXJY-HJHSVFMCSA-N 432.995 7.913 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)SC1=Nc1ccccc1 260573748 ZOUPOVGIRFKBMS-KXHMDKFRSA-N 433.621 6.423 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 408774157 BNKWYGDIJWZHCV-VULFUBBASA-N 438.911 5.461 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(C)c(C)c4)NC3=O)c2c1 408785595 HUXQSBRUTYQDDL-IWIPYMOSSA-N 446.572 6.146 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(C)ccc2OC)NC1=O 408860033 XLBXBFLJWQOWQH-HAHDFKILSA-N 432.545 5.837 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409118606 OONCPBFUGPICAI-UHFFFAOYSA-N 446.547 6.530 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409201508 NXMWHBPYTAAZFT-ZVHZXABRSA-N 435.436 6.061 30 40 IKEB Cc1ccc(COc2ccc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)cc2)cc1 409250761 YBRQXKUZVXUQIJ-OEAKJJBVSA-N 448.975 6.427 30 40 IKEB CC(C)c1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1 1081802659 SRRCNBDSXVCQOE-OVRHDEQLSA-N 426.468 5.573 30 40 IKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)N1 6232540 OVYRVZAGYCMZGR-CVDCTZTESA-N 428.985 5.703 30 40 IKEB C=CCNC(=S)N/N=C/c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 9635934 OVSHEMLXHIQVNM-WPWMEQJKSA-N 434.609 5.002 30 40 IKEB O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCc2ccc(F)cc2)C1=O)Nc1ccccc1 9850541 XJSYGBNEDOIGCF-AOKXBXCXSA-N 447.535 5.029 30 40 IKEB COc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)cc2ccccc2c1Br 14273255 IWIQAQARZZJXTO-UHFFFAOYSA-N 441.350 5.675 30 40 IKEB C#CCn1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 14408485 OGKGGJKTACMLQZ-ZCTHSVRISA-N 425.491 6.824 30 40 IKEB CC(=O)C(C(=O)c1ccc(C)cc1)=C(SCc1ccccc1)SCc1ccccc1 15221034 GWMOTKIZHBTMJV-UHFFFAOYSA-N 432.610 6.845 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(C)c(Cl)c3)c3ccccc3S2(=O)=O)c(C)c1 32984285 XSBQDUOTUYLEDJ-UHFFFAOYSA-N 437.948 5.915 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cccn3-c3ccc(Br)cc3)cc2)cc1 59303469 RBHGINUPKHAIOX-YZSQISJMSA-N 447.332 6.791 30 40 IKEB C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 89904488 MKEZSPQIFMKQBD-CYBMUJFWSA-N 445.375 5.366 30 40 IKEB CCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530773 CQLHEVONSBRMOO-VAWYXSNFSA-N 436.349 8.177 30 40 IKEB CCCCCCCCCCCCCCCCCc1nc2nc(Cl)c(Cl)nc2[nH]1 104154397 FQGQMIPHSHPTNB-UHFFFAOYSA-N 427.464 8.074 30 40 IKEB O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)S/C(=N\c2ccccc2)N1C1CCCCC1 408726427 NQTDPDHNUJGPRZ-TVNBHEQGSA-N 447.387 6.636 30 40 IKEB C(=N/c1cccc2ccccc12)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408730382 FXPSYDUCHIIKEO-JGRMKTMXSA-N 448.569 8.715 30 40 IKEB CC(C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccccc1 408910459 WRXXTWXRXGIMER-UINIZAEWSA-N 428.557 6.278 30 40 IKEB CCCCCCCCNC(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408978442 MDHGZPSFZJAHJD-UHFFFAOYSA-N 430.556 6.102 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409086089 QCSJYRYFFFAHHG-GRJIBALVSA-N 446.572 6.788 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1F 409200100 GSXQDHGFQXKVRK-UVHMKAGCSA-N 432.322 7.169 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1cccc2ccccc12 409212231 OCVZBBOVERBQDG-UXHLAJHPSA-N 443.974 7.784 30 40 IKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1OC 409217791 WPOLJDCBJHNJCG-BUVRLJJBSA-N 426.310 6.399 30 40 IKEB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 409244695 HIWAYNSANYXDJX-MOSHPQCFSA-N 427.957 5.231 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(Br)cc1 409295312 QMZWEUQMURQAEQ-UHFFFAOYSA-N 444.288 5.454 30 40 IKEB C#Cc1ccc(C[C@H](CCCCCCCCCC)CCCCCCCCCCCC)cc1 1857791476 FHWGGZYCCJFROT-WJOKGBTCSA-N 438.784 10.668 30 40 IKEB N#CCCn1nc(-c2ccc(Cl)cc2)cc1Nc1ccccc1NC(=O)C(F)(F)F 2641129 VOMAOMHOLKCWSS-UHFFFAOYSA-N 433.821 5.362 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)c(Cl)c1 5910252 SCDDXVCBCXWFRH-LSHDLFTRSA-N 441.181 6.716 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccn1)c1ccc(Cl)cc1 6446971 XAEITZFOJLNUGH-IBGZPJMESA-N 447.903 5.128 30 40 IKEB CCCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 8384120 HUXPANHDIQORGD-QFIPXVFZSA-N 448.544 5.101 30 40 IKEB Cc1ccc(NC2=C(C(=O)c3ccccc3)[C@@H](c3ccccc3)N(c3ccccn3)C2=O)cc1 8407924 HPJZGHZBCROJNA-HHHXNRCGSA-N 445.522 5.727 30 40 IKEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1C 8741900 ZRCJIXRZXOCBDR-OZSVZHKOSA-N 429.545 5.468 30 40 IKEB COCc1cc(C)nc(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c1C#N 8925965 NBHYDOIPYNPOQZ-MUFRIFMGSA-N 436.515 5.586 30 40 IKEB COc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)c(Cl)c1 9216479 ICVMTJQYJAAQJM-BHGWPJFGSA-N 431.323 5.434 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(OCC)c2)SC1=S 9234119 SVGKAHYTYKIKCU-FYJGNVAPSA-N 438.574 5.147 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1 9240824 RFTARDFVGPVSQP-HXUWFJFHSA-N 448.450 5.357 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1F 9720416 KHOSNELCPJNKHI-UHFFFAOYSA-N 448.490 5.541 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c1 13567891 AXQCVKHRBNKOGX-SFHVURJKSA-N 445.437 5.250 30 40 IKEB CCOc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 13715248 PUPQVMXQMVSIDH-NTCAYCPXSA-N 429.903 6.143 30 40 IKEB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NCC#CC#Cc1ccccc1 16451144 BSHJHVUFHMQGFT-UHFFFAOYSA-N 434.326 6.104 30 40 IKEB O=S(=O)(N=C(SCc1ccccc1)SCc1ccccc1)c1ccc(Cl)cc1 16480837 PRCHSFJHZMRHPL-UHFFFAOYSA-N 448.034 6.252 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 22022899 BKSBJZRIXRIOKB-PHSRYYMBSA-N 444.556 5.464 30 40 IKEB CCc1cccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccc(F)cc32)c1 32984366 YKUXOJMDQLAWQL-UHFFFAOYSA-N 437.492 5.046 30 40 IKEB Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN32)cc1 35489179 LATHMBIBTZXTOU-WEWMWRJBSA-N 433.486 5.544 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)nc1 38196212 YUFUCZMOZACMNA-OPVMPGTRSA-N 435.242 5.461 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1cccc(C)c1 59194469 XJMAKCOIROEIAA-MFKUBSTISA-N 431.517 5.669 30 40 IKEB CCCCCCCCCCOc1ccc(/C=N/c2ccc(/C=C/C(=O)OCC)cc2)cc1 68569038 LUFOQBNRKIKXAQ-ZNAULMSRSA-N 435.608 7.533 30 40 IKEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(Cl)c2)/C1=C(\O)c1cc2ccccc2o1 102752277 OQOWORRFRKYSAD-HOGKFDNTSA-N 444.874 5.103 30 40 IKEB CN(C)c1ccc(/N=C2/C(c3ccccc3)=CC(c3ccccc3)=C2c2ccccc2)cc1 103686699 DAMNZEXCJWTEKJ-MVJHLKBCSA-N 426.563 7.533 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1OC 104348845 PZGJHGVAFWYJJA-HPNDGRJYSA-N 433.706 6.975 30 40 IKEB CCN1c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C 223572400 BRPFAJXIVMIAOT-LUILSVGHSA-N 425.489 5.370 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)S2)cc1 408534729 WHYQNQMSDPNTRG-OYKKKHCWSA-N 441.531 6.029 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408732820 UBJDTGNYNKROOM-MWAVMZGNSA-N 443.506 7.470 30 40 IKEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 408772301 KMDZAMXIOKSNCV-JLPGSUDCSA-N 440.543 5.588 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CCCCCC2 408972154 SYQYWXICAVABEW-CVKSISIWSA-N 438.980 6.769 30 40 IKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC 409086685 AMBFPUIQDJEUBI-KWPJTZOTSA-N 440.524 5.516 30 40 IKEB Cc1ccc(COc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2Br)cc1 409097034 LWQKLWLSEYHZRG-FSJBWODESA-N 441.285 5.086 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 409215982 CRKMVHKACHHYSY-DHRITJCHSA-N 444.756 6.749 30 40 IKEB C=CCOc1cccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c1 409281756 OBUPIVVCZIHPNR-UHFFFAOYSA-N 449.432 5.529 30 40 IKEB CCOC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C#N)c1C 1965114 PIZZHSLVJBVPEG-UHFFFAOYSA-N 441.336 5.209 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)c(C)c(C)c2)nc2sc3c(c2c1=O)CCCC3 2679411 FXUQBAZPYUSZCX-UHFFFAOYSA-N 438.618 5.423 30 40 IKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)cc1 3089185 IJISJOCEUVHLGN-WYMPLXKRSA-N 429.259 6.180 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cccs1 3639486 AISMWPYDQOWCRL-GYCJOSAFSA-N 437.561 5.072 30 40 IKEB Cc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 8441199 VPURSNQGAUSWFK-UHFFFAOYSA-N 448.635 8.186 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1cccc(Cl)c1 8642662 ARUREGWTVFLOKD-RFBIWTDZSA-N 445.975 6.541 30 40 IKEB CC1(C)Cc2c(sc(NC(=O)CCCSCc3ccccc3)c2C#N)C(C)(C)N1 10618832 KDMRTELACHVCOU-UHFFFAOYSA-N 427.639 5.431 30 40 IKEB Cc1ccc(CO/N=C(\CSc2ccc(Cl)cc2)c2sc3ncnn3c2C)cc1 12338624 LWSKBUBDWBUGPY-NCELDCMTSA-N 442.997 5.774 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1OCc1ccccc1 13152104 DXHBLDVHKADGMV-VULFUBBASA-N 447.516 5.745 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(C)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 13551369 WPFQZLCDZWOGCW-RSXGOPAZSA-N 430.935 6.456 30 40 IKEB C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O 13817033 PIAPWPAWQGDOMN-SXAWMYDMSA-N 438.520 5.505 30 40 IKEB biogenic,in-vivo O=C(C[n+]1cc(-c2ccc(Br)cc2)n2c1CCCCC2)c1ccc(Cl)cc1 27027085 RDINKADRIIZQSR-UHFFFAOYSA-N 444.780 5.468 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 44858878 SBCWZBATADVKQB-DEOSSOPVSA-N 440.547 5.410 30 40 IKEB CCCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 53319238 UJMVWGSKWBWVNX-UHFFFAOYSA-N 427.683 7.379 30 40 IKEB CCCCCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 97951485 CYSZGUOVMFLTMN-UHFFFAOYSA-N 443.444 7.562 30 40 IKEB CCOc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1I 165475938 YIWZSPDRVZBGIL-HZHRSRAPSA-N 427.285 6.108 30 40 IKEB Cn1c(N/N=C/c2ccccc2OCc2ccc(Br)cc2)nc2ccccc21 408666434 USYZEPGTXGWYQX-ZVHZXABRSA-N 435.325 5.361 30 40 IKEB CCOc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1 408764559 XMEVCUVTEGBZGI-BOPFTXTBSA-N 431.355 5.356 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)c2ccccc12 408914072 SJIAAGXXJDTHTO-ONRZTLAHSA-N 444.600 6.949 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)S2)cc1 408956007 ZMPLKMQAAVBRFD-HYARGMPZSA-N 433.533 5.090 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408975470 KSIUZTDRSFLOHV-AFUMVMLFSA-N 448.935 6.793 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409217868 XUGYTVBZCDWQNO-FSJBWODESA-N 425.828 6.316 30 40 IKEB O=C1/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)Sc2ccccc21 409318205 UHRVYEAFXOOJLO-JAIQZWGSSA-N 434.879 6.544 30 40 IKEB CCn1cc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)c2ccccc21 409358470 UQKVKXXZUJOYGG-KCSSXMTESA-N 443.550 7.827 30 40 IKEB Cc1ccc(/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1[N+](=O)[O-] 409386826 SJGDZVTVIZBUPQ-MSXFZWOLSA-N 437.521 5.700 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1-c1ccccc1 1531268418 AITUDLHENVXGDU-PCLIKHOPSA-N 449.352 5.175 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)CCC[C@H]43)C2)cc1 2049238296 DJKUHJBPRWSFHW-LYKQHKDBSA-N 430.654 6.502 30 40 IKEB CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)c1 1434811 UEJVMKHATLIVQX-WTYVLRPYSA-N 440.543 6.073 30 40 IKEB Clc1ccc(/C=N/N2CCN(/N=C/c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 1700686 LDSOWJJTHNMJLW-ASIDMNOUSA-N 430.166 5.286 30 40 IKEB N#Cc1ccc(CSc2nnc(COc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2209912 GPTHYBLLJPHJBE-UHFFFAOYSA-N 432.936 5.664 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3c(F)cccc3Cl)c2C#N)C1 2736816 PDUHGYQQRGTWGW-VNDWYCCKSA-N 430.976 6.605 30 40 IKEB COc1ccc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)cc1Br 3113097 KLHYVGFVWZWSOR-WYMPLXKRSA-N 425.257 6.156 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccccc3Cl)c(C#N)c2-c2ccc(OC)cc2)cc1 7060085 PPWOYGMSDNJJIG-MUFRIFMGSA-N 442.902 6.906 30 40 IKEB O=C(C/C=N/OCc1ccccc1Br)c1cnc(-c2ccc(Cl)cc2)s1 8857080 GQZYIUVIFBOKQK-AUEPDCJTSA-N 449.757 6.001 30 40 IKEB CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NCCc1ccccc1 9065458 HXZCTARDRJIIEL-JOCHJYFZSA-N 443.595 5.002 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 9280922 DIMKHRGTGAWQFP-MTJSOVHGSA-N 441.266 5.837 30 40 IKEB Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 9370736 XXNYPZYFQKYNGI-JELBAWGMSA-N 440.455 5.086 30 40 IKEB O=C(CCN1c2ccccc2Sc2ccccc21)N1CCCS/C1=N\c1ccccc1 12542584 OTXHVXJOVKUIHT-QPLCGJKRSA-N 445.613 6.333 30 40 IKEB Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1C(F)(F)F 12785429 XORKWXRUEGMXBP-UHFFFAOYSA-N 431.311 5.610 30 40 IKEB N#Cc1ccc(OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c(Cl)c1 12794739 XYJNGJYSIGEWFF-LJQANCHMSA-N 445.862 5.308 30 40 IKEB COc1ccc(C(=O)[C@@H](C)C(C#Cc2ccccc2)[C@H](C)C(=O)c2ccc(OC)cc2)cc1 13633959 HILOGFVLUZLEML-SFTDATJTSA-N 440.539 5.710 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)o1 59459447 NISUCCGFDAZTIZ-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB CCCCCCCCn1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)c(C)nc21 97952417 IHBYIUAHUVFXNS-LJQANCHMSA-N 447.583 5.142 30 40 IKEB COc1ccc(C2CC(=O)C(=CNc3[nH]nc(C)c3-c3ccc(Cl)cc3)C(=O)C2)cc1 101020638 HZMQEXCEKITZED-UHFFFAOYSA-N 435.911 5.059 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 104599195 UIHAVGJLMIFGKQ-LEVZQSSMSA-N 448.950 5.232 30 40 IKEB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@H]1CC2 118933145 BNXIOYCVQJVXLJ-IBJXJAGGSA-N 434.617 6.332 30 40 IKEB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 408774392 VQENDKRBUJOSII-RISWYLRJSA-N 441.556 5.299 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408873827 XEHFUEMNQQYANE-NSZJMGGMSA-N 437.521 5.483 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 409073918 UNXNITPYXIBUGP-MTDXEUNCSA-N 443.616 6.538 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409202882 SYNKJQSRIRUZJH-JFLMPSFJSA-N 436.939 5.988 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 409213464 VRGOZEXLRHCJSZ-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB Cc1ccc(COc2ccc(/C=N/c3cccc(Cl)c3C)cc2Br)cc1 409213466 VRNOXDZTJWCREW-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Cc1cc(N2CCCCC2)ccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409281793 OHBBXSWMZXBFAA-UHFFFAOYSA-N 428.580 5.625 30 40 IKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cccc(Cl)c1 409283225 OQUGBIUSZIIBPB-UHFFFAOYSA-N 434.282 5.999 30 40 IKEB CC(C)(C)Oc1ccc(Cl)cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409402668 ISPITZFSBBQIQE-UHFFFAOYSA-N 431.923 5.776 30 40 IKEB Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1 1446274 OEYYIIQKGKVDPR-UKILVPOCSA-N 441.512 5.694 30 40 IKEB C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc2c1=O 2660624 LJJVMIRYOUTYQJ-JOCHJYFZSA-N 445.519 5.194 30 40 IKEB Cc1ccc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 8384604 OQZASONRRBHPCD-GMQQYTKMSA-N 429.523 5.588 30 40 IKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCc1ccccc1Cl 8443203 JCNUPQXBLWLZBV-UHFFFAOYSA-N 430.935 7.372 30 40 IKEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)c1 8917993 GJIBXGDDPKVINT-ZSVMCKMMSA-N 428.440 5.095 30 40 IKEB biogenic CN1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 8923789 ARPAFDSZYQMWJD-BRJLIKDPSA-N 444.387 6.046 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 9014520 PRLQUNVZZGGPIB-KROBSHITSA-N 440.455 5.086 30 40 IKEB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)/C=C3\N(C)c4ccccc4C3(C)C)cc12 32688891 ZAWNGDSOOYKFPN-UCQKPKSFSA-N 447.991 6.543 30 40 IKEB CCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 100864086 XNUMMXZDRSMRNZ-QZPVIKGESA-N 435.608 7.291 30 40 IKEB CCCCOC(=O)C(=O)[C@@H](C[C@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C 102977262 ICLAEGNEUPSKPX-ZEQRLZLVSA-N 448.559 5.036 30 40 IKEB C[C@@H]1C/C(=C/c2cccc(Cl)c2Cl)C(=O)/C(=C/c2cccc(Cl)c2Cl)C1 245237817 XTGHSTCJEVFVMM-XBFDZUGGSA-N 426.170 7.766 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)S2)c(C)c1 408723799 OPKSYZGYIQFPGW-OEAKJJBVSA-N 448.975 6.427 30 40 IKEB Cc1cc(/N=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)ccc1I 408858518 SQFRKXWBIUFRSD-JJFYIABZSA-N 445.256 5.617 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC 408966612 PNAKARZBXQUJII-HCZVKUGISA-N 446.956 5.426 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)c1 408966660 NJCQWTZGEOJSHC-ZVHZXABRSA-N 425.326 5.784 30 40 IKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1cccc(Br)c1 409064286 OSOHQWOCRVXBGS-WSDLNYQXSA-N 425.355 5.912 30 40 IKEB O=[N+]([O-])c1ccc(Cn2cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c3ccccc32)cc1 409072498 VRFNIIPIMVPSDJ-LUOAPIJWSA-N 439.397 5.458 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 409081230 NEGGXCMKTPYVKS-SOMGSRHFSA-N 441.940 5.265 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(C#N)cc1 409127122 GXHXDOXMKZIGHC-LFVJCYFKSA-N 441.556 5.635 30 40 IKEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Cl)c1OCc1ccc(Cl)cc1 409141057 LNOBUWOGASPPHJ-KBKYJPHKSA-N 429.303 6.413 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409142715 AUQPLDJDGJIMLC-HMMYKYKNSA-N 441.936 5.030 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)cc1 409209018 DZJJLINHGYNJBT-PGBYLALNSA-N 426.538 5.212 30 40 IKEB COc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c2C)cc1 409216106 DZKKWVXLAOPKGG-JHUOEDMDSA-N 445.632 6.938 30 40 IKEB Cc1cccc(COc2ccccc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 1531383833 AHZXYGHGWSYUSB-NDZAJKAJSA-N 445.522 5.833 30 40 IKEB Cc1cccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 2298447 ALBDZYUIHVITIE-UHFFFAOYSA-N 427.573 5.582 30 40 IKEB biogenic CCCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CC 8444086 UPIFDHKHXHBGTB-AREMUKBSSA-N 432.564 6.028 30 40 IKEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8820931 YFVAEDRPHQOTED-WOJGMQOQSA-N 448.853 6.510 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 8821209 ISTXTHGACMPKAG-SXGWCWSVSA-N 426.847 5.649 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Cl)c2)cc1 8894181 SKDSIEVORVZBEE-IBGZPJMESA-N 438.936 5.505 30 40 IKEB CCc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 8992511 HFXKAEFQUZNBRX-XKZIYDEJSA-N 440.904 5.286 30 40 IKEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1ccccc1C 9144658 DMCHLOMNJQQCDA-KOEQRZSOSA-N 435.480 5.206 30 40 IKEB O=C1/C(=C/c2ccncc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 9282703 RCRYHULEPCAXRH-UQQQWYQISA-N 434.451 6.035 30 40 IKEB O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2c(c1)-c1ccccc1C2 12538388 HUUWKIOXJICOLP-DHZHZOJOSA-N 431.318 7.721 30 40 IKEB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 12604538 ASHLEVLTHOHXEG-DEOSSOPVSA-N 444.554 5.586 30 40 IKEB CCc1ccc(N2C(=O)C[C@@H](c3cc(OC)ccc3OC)C3=C2CC(C)(C)CC3=O)cc1 13567835 UCXAJPIJWBABGE-NRFANRHFSA-N 433.548 5.430 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)c1 13567924 VSTPKTDSYHIYEF-QGZVFWFLSA-N 425.912 5.193 30 40 IKEB COc1ccc(C(=O)/C=C/Nc2ccc(N/C=C/C(=O)c3ccc(OC)cc3)cc2)cc1 13590810 LHEGFAUWEYPCOX-YTEMWHBBSA-N 428.488 5.321 30 40 IKEB Cc1ccc2[nH]c(=O)c(/C=N/Nc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2c1 16348286 MDIPWCFEAAJIPB-MZJWZYIUSA-N 439.906 5.546 30 40 IKEB CCCCCCC(=O)/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 17127543 UGWXMECXTYMGSS-HTXNQAPBSA-N 428.572 7.397 30 40 IKEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c1OC 20650982 UQNYGRMLIMRYTC-FMCGGJTJSA-N 439.552 5.140 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1ccccc1 21722026 BJDHASRHBIEXCH-RUZDIDTESA-N 429.545 5.367 30 40 IKEB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N 24805873 LUUKTEQVRADNMB-UHFFFAOYSA-N 429.545 5.037 30 40 IKEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 59137131 IAHWVOBUSGPSPC-HMAPJEAMSA-N 435.524 5.524 30 40 IKEB Cc1cc2ccccc2c(/N=C\c2cc(Br)cc(Br)c2O)c1C#N 100133770 NHWRJSZLHORWDI-RMORIDSASA-N 444.126 6.001 30 40 IKEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)C(C(=O)c1ccccc1)=C1SCCCCS1 100480399 SODMPFHWTRGATG-JLHYYAGUSA-N 425.531 5.532 30 40 IKEB O=C1C2=C(N=C3C[C@H](c4ccco4)CC(O)=C3[C@@H]2c2ccc(Cl)cc2)c2ccccc21 102882309 RNPXVCHPKMMSBO-NYHFZMIOSA-N 427.887 6.469 30 40 IKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1Cl)C2=O 254348741 FYAPPFWDCSJLLT-HXVXZZQRSA-N 445.430 6.880 30 40 IKEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(/N=N\c4ccccc4)cc3)C2=O)c1 408535366 NUELQQUAOXYLPP-SSRKWXPQSA-N 425.448 5.012 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 408858468 SKLHHUMOFMMMLT-KFLOGIKRSA-N 443.572 5.553 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O 409172085 HAYSAFDCAHVPSO-YDZHTSKRSA-N 444.487 5.513 30 40 IKEB CCOC(=O)c1sc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c(C#N)c1C 1268432 JFFZBJHSAPMGJG-AATRIKPKSA-N 439.320 5.072 30 40 IKEB CCCN1C(=O)/C(=N\OCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc21 2663643 LWUZVKSHPYJUHF-PNHLSOANSA-N 449.938 5.108 30 40 IKEB COCCCN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N/c1ccc(OC)c(Cl)c1 3249831 DDVLEDHVUAGQDR-FAXOLUSMSA-N 434.920 5.128 30 40 IKEB FC(F)(F)c1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 8681168 BTCVLIHSUWIGCY-UHFFFAOYSA-N 426.238 6.479 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 8744027 LOTPWLREWPFQNY-NRFANRHFSA-N 436.895 5.543 30 40 IKEB CN(Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N)[C@@H]1CCCc2ccccc21 9499138 UHDLVPVHQBJGHS-JOCHJYFZSA-N 440.572 5.158 30 40 IKEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCc1ccc(OC)c(OC)c1 12421721 WGKRSLSLNOHHLA-UHFFFAOYSA-N 428.536 5.105 30 40 IKEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 20646954 WUEDDSYVZIQZJQ-VPBNWZFVSA-N 425.528 6.050 30 40 IKEB COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1 25424463 FQUHAZFHFGZLSW-NTCAYCPXSA-N 438.426 5.550 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)ccc1O 27229159 JRROZVREZHGKHW-LZYBPNLTSA-N 442.846 5.355 30 40 IKEB COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)cc1 28541905 HHMFHMTYWZRTRK-UUYOSTAYSA-N 433.529 5.076 30 40 IKEB COc1cc(/C=N\OCC(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 34834200 QQLBTZHOJWCEEB-ZMFRSBBQSA-N 442.874 5.056 30 40 IKEB COc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1cccc(C(=O)O)c1 59249684 KUZRDYXOHMPRIZ-WYMPLXKRSA-N 440.839 5.285 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC 100503785 FOROCIRSIXDJQG-UHFFFAOYSA-N 438.781 10.322 30 40 IKEB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1ccc2ccccc2c1 100527870 ZJEHKTWLLIMQRQ-SZXQPVLSSA-N 445.935 5.807 30 40 IKEB CCCCCCCc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 100917918 HUNXAMJCNBVBKA-DEOSSOPVSA-N 429.560 5.941 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)S1 223553743 GREIVKAMMQOPIW-NLKUQUHMSA-N 433.621 6.387 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2ccccn2)CC1 257340828 ZHQSSUYUTMHTDQ-UHFFFAOYSA-N 443.566 5.015 30 40 IKEB CCCCCCCCCCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408706806 DXDDDYAOIZDIPM-UHFFFAOYSA-N 436.640 5.972 30 40 IKEB COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N([C@H](C)c2ccccc2)C1=O 408912863 RSHQUKBWATXOIX-VYDMJTNZSA-N 448.975 6.714 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Cl)c1OCC 408967881 XVFQKTRYILCEKH-LDADJPATSA-N 432.929 5.038 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(Cc3ccccc3)c2C)S/C1=N/c1ccc(F)cc1 409221176 LYVKSMVARMTZGZ-VCICBFQVSA-N 433.552 5.916 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)cc2)cc1 409234785 MLQNEQLRHXUECB-STZFKDTASA-N 436.989 6.691 30 40 IKEB O=c1c2ccccc2nc(O)n1N=Cc1cn(Cc2cccc3ccccc23)c2ccccc12 409360670 QYHVSZYMERSIGM-UHFFFAOYSA-N 444.494 5.141 30 40 IKEB c1ccc2c(c1)C(=Nc1ccc(N=C3c4ccccc4-c4ccccc43)cc1)c1ccccc1-2 1724459 GCKQVENQMOTMOW-UHFFFAOYSA-N 432.526 7.986 30 40 IKEB in-vitro O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1cccc(Cl)c1 2256880 OAMPGTZPOVSCHJ-LJQANCHMSA-N 429.701 6.180 30 40 IKEB COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1OC 2432929 NHALFUIWFHBRER-MTJSOVHGSA-N 436.847 5.193 30 40 IKEB C=CCOc1ccc(Br)cc1CN(C)C(=O)Nc1ccc(Cl)cc1Cl 3106104 QAXNDGQIIZYRRR-UHFFFAOYSA-N 444.156 5.985 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc(Cl)cc(Br)c2O)sc(C(C)=O)c1C 4150634 YCLKCQNDPOATAO-IFRROFPPSA-N 444.734 5.308 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1C 8820973 YSXPOKZXAMKHGC-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 9680335 VUZDVWRSUQXVCN-ZTOMLWHTSA-N 438.571 6.763 30 40 IKEB C=CCOc1ccc(CN(C)c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1 13141525 IZFHMOUHDJLIDZ-UHFFFAOYSA-N 442.588 5.833 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCCCOc2ccccc2Cl)cc1 13940744 DNTBTMHMYDRDOK-LFVJCYFKSA-N 425.872 5.542 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1 18106874 WDWAQXJHXSWBCK-UZTOHYMASA-N 426.516 5.683 30 40 IKEB O=C1/C(=C\c2cc3c(cc2Cl)OCO3)S/C(=N/c2ccccc2)N1C1CCCCC1 100395176 MWDAFVRUOSWTFH-QTVFPPQESA-N 440.952 6.005 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1 113831972 CQTSWFFPNGHYPD-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB CCOc1ccc(/C=N\c2ccc(Br)cc2C)cc1I 408905039 SGTRBBUCTFQSSV-GRSHGNNSSA-N 444.110 5.511 30 40 IKEB CCOc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1ccccc1 408980637 RVEDFNCCWZCCGW-UHFFFAOYSA-N 435.527 6.156 30 40 IKEB FC(F)(F)c1ccc(N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)nc1 409092857 ZWFGZZZVHHLITR-IPBVOBEMSA-N 428.845 6.203 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1C(C)C 409207862 BOFLRZFLPKIRHR-XVURBDKZSA-N 426.567 5.396 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc12 409216916 PQAKOASWNMITGJ-STBIYBPSSA-N 429.947 7.530 30 40 IKEB CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1 524729925 OMHSTCAJNFYUBR-DHJMFLCTSA-N 426.468 5.573 30 40 IKEB biogenic F/C(=C/CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575330314 GRZMQPOXEUGMEV-HNQUOIGGSA-N 446.100 6.531 30 40 IKEB N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)oc(-c2ccccc2)c1-c1ccccc1 2190276 DNXWNJVRECBZSZ-UHFFFAOYSA-N 433.294 7.044 30 40 IKEB CCCCCCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 3224101 CPDCAGFQRAIFNC-UHFFFAOYSA-N 438.984 6.025 30 40 IKEB C=CCn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 3416962 QZEMOVAVHUFLJR-UHFFFAOYSA-N 433.942 5.236 30 40 IKEB Oc1ccccc1/C=N/c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 3668905 JUQQJLPTVIOJRI-MZJWZYIUSA-N 444.556 7.337 30 40 IKEB C[C@H](/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1 8926057 NHIVKJVPLGQPJF-BDIOCRAHSA-N 429.567 7.222 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc21 9291133 ZCHQGVZQXKGEJO-QHCPKHFHSA-N 430.441 5.190 30 40 IKEB Clc1ccc(CN/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 10118708 OXFAMWATKDTQQA-AFUMVMLFSA-N 429.745 5.805 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 13750688 CFTVGFJHCXEYDF-MLKPGFSBSA-N 445.588 5.873 30 40 IKEB Cc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccncc1 14009061 WRVPWMXNOSRJTO-WQRHYEAKSA-N 443.359 5.688 30 40 IKEB N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(F)cc3Cl)o1)CCCCCC2 19841262 XKWIGLHYMFVUBQ-UHFFFAOYSA-N 425.891 5.826 30 40 IKEB CCCCCCCCCCCCCCC[C@H](O)[C@H](CO)NC(=O)CCCCCCC 43066584 LGOFBZUQIUVJFS-DQEYMECFSA-N 427.714 6.666 30 40 IKEB biogenic CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)cc1 100212056 PXTNZWKXWOZPIX-ZVHZXABRSA-N 425.326 5.784 30 40 IKEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 101069935 PYMUSMSFXJNWAN-MRJHHRETSA-N 448.316 5.384 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1 101486608 RZNALYVPKBLOEL-KWPJTZOTSA-N 428.557 5.850 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(C(C)C)cc1 104350104 XWPOFMKMULALMG-FAJYDZGRSA-N 445.761 8.089 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\C(C)=C/c1ccccc1 104376677 AVFQNOCRESGCFT-LNMKHQALSA-N 443.745 8.021 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)S2)cc1 408761237 DFBKQCQXUUKSKP-HAHDFKILSA-N 432.520 5.859 30 40 IKEB COc1cc(/C=C2\Sc3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408817965 XFDRCEWJKUDSTJ-MTJSOVHGSA-N 443.351 6.911 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(Cl)cc1 408863219 MEDWRFFNZRYJKA-NDENLUEZSA-N 425.916 5.778 30 40 IKEB CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cccc1OC 408914257 UEDPCAPCPWWIFC-JUMVDPBBSA-N 438.593 6.052 30 40 IKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c(Br)c1 408934843 DJKKYIUOPRDXFP-MYKKPKGFSA-N 445.744 6.267 30 40 IKEB COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O 408989311 TXJJSRVPKORBIT-KWZOLKRCSA-N 438.549 5.346 30 40 IKEB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)c2ccccc21 409116691 OLZFCQWLRABRJS-QRVIBDJDSA-N 442.946 6.334 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 409175206 XOQMAABEWBBGCY-BRJLIKDPSA-N 441.318 5.903 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2cccc(Cl)c2C)cc1 409212337 OYZYIZXVHUPTRD-JVWAILMASA-N 449.959 6.628 30 40 IKEB CCOc1ccc(C=Nn2c(-c3cc4c(OC)cccc4o3)nc3ccccc3c2=O)cc1 409292331 DNDNIALLPDATJR-UHFFFAOYSA-N 439.471 5.099 30 40 IKEB Cc1ccc2occ([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccccc3)C4)c(=O)c2c1 883187 WJFKHABEGSLKLN-VKGTZQKMSA-N 448.522 6.081 30 40 IKEB biogenic Cc1cccc(/N=C2\C=C(NCc3ccccc3)c3noc4c3c2c(O)c2ccccc24)c1 9273935 OQYUZQRARMFKNC-JBASAIQMSA-N 431.495 6.260 30 40 IKEB CCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 9465477 ZKHOKWUADQIYFE-MHZLTWQESA-N 448.607 6.713 30 40 IKEB COc1ccc(OCCOc2ccc(C)cc2/C=N/NC(=S)Nc2ccc(C)cc2)cc1 9554214 FAOSIBGJULEPAV-YZSQISJMSA-N 449.576 5.090 30 40 IKEB COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)cc1OC 13602891 BZALJEZENKRHHS-JLHYYAGUSA-N 425.484 5.417 30 40 IKEB COc1cc(Br)c(Br)c(/C=N/C23CC4CC(CC(C4)C2)C3)c1O 19637628 ACQWVLSGWDCDIQ-ZVBGSRNCSA-N 443.179 5.314 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1 59105732 AVCMBYDKQMLUGP-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1F 59663947 MVARNMSEZDILHR-VFCFBJKWSA-N 427.560 7.574 30 40 IKEB CCCCC1CCC(c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)CC1 61997283 NHLUTULFPAJQJG-UHFFFAOYSA-N 426.992 5.990 30 40 IKEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1Cl 247707781 GIMPXNKAJBQLLQ-MZKUHISZSA-N 435.914 5.750 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 408691572 FNWJYVUORJMDRK-WUXMJOGZSA-N 441.354 7.176 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)Nc1ccccc1 408816928 SPWYPSTUQPLKMK-CFRMEGHHSA-N 427.273 5.356 30 40 IKEB Cc1cccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)cc2Br)c1 408909222 FSNBOUDYCHRSDV-QRVIBDJDSA-N 440.297 5.691 30 40 IKEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1 408911880 KWOFNOLVIKOQFW-UINIZAEWSA-N 428.557 6.198 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1C 409121031 XTUONFOTUBHAKD-UHFFFAOYSA-N 425.164 6.005 30 40 IKEB CC1(C)OB(c2ccc3c(c2)oc2cccc(-c4ccc(-c5ccccc5)cc4)c23)OC1(C)C 2237365289 LBCRZVCYVSRLBU-UHFFFAOYSA-N 446.355 7.219 30 40 IKEB O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1ccccc1 707463 SXORILIGIJBYLH-FQEVSTJZSA-N 441.380 5.627 30 40 IKEB Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)c2c1C 1801776 QFUJEGWHMGYJGQ-UHFFFAOYSA-N 428.608 5.241 30 40 IKEB COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1CSc1nc2ccccc2[nH]1 2214476 MXKPRWUUTPBDAL-ZVHZXABRSA-N 447.589 5.184 30 40 IKEB CCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 4061504 PNOZYXWTWMGNKG-DEOSSOPVSA-N 437.580 5.565 30 40 IKEB CC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccc(C(C)C)c(C)c1 4105625 YUYVEBDCNKQKET-UHFFFAOYSA-N 430.548 5.248 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)cc1 8820777 DUHIOZJXMXDCSK-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)c1C 8820786 AEXWVEXTWOGXNL-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB O=[S@@](c1ccc(Cl)cc1)c1ccc(/C=N/OCc2ccc(Cl)cc2Cl)cn1 12958198 SDWYPPGZQZCWFS-NOMMVBCKSA-N 439.751 5.759 30 40 IKEB CC[C@H](C)n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc21 15906032 HOIJNJMZFIVZDO-NSHDSACASA-N 438.285 5.035 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1ccccc1F 21722745 XYKHUYOPELAIKK-RUZDIDTESA-N 447.535 5.506 30 40 IKEB Cc1cc(Br)ccc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccccc2)S1 59247884 NUCPJAZKIVQUHB-UYRXBGFRSA-N 438.350 5.440 30 40 IKEB Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)NC3=O)o2)c(Br)c1 59417891 GPDAGVZDRUDMRF-XDHOZWIPSA-N 439.334 5.909 30 40 IKEB CCCCCCCCCCCCCCNc1ccc(P(=O)(OCC)OCC)cc1 100041204 XQVBVGHNDNUNSQ-UHFFFAOYSA-N 425.594 7.691 30 40 IKEB N#Cc1c(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)sc2c1CCCC2 102315880 SBXMBYJHTUPQBE-RKOMNEFPSA-N 433.415 5.561 30 40 IKEB O=C1C2=C(N=C3C[C@H](c4ccccc4)CC(O)=C3[C@@H]2c2ccc(Cl)cc2)c2ccccc21 104155746 JZRVPEZFYKMXSK-UUOWRZLLSA-N 437.926 6.876 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)S/C1=N/c1ccccc1 223470916 MYYFTYMFARSJOJ-YUBLGUFESA-N 447.604 5.569 30 40 IKEB C=CCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1C(F)(F)F 225955973 RJAOHYLOCFMMSZ-UHFFFAOYSA-N 425.450 6.215 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 408591141 ISMNSEWSBPPJCQ-OPEKNORGSA-N 449.265 6.170 30 40 IKEB Cc1cc(/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc([N+](=O)[O-])c1C 408773047 PBDXJENWJZEDQR-FMCGGJTJSA-N 426.314 6.132 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C2CCCCC2)cc1 408908707 BBFBDURHSKUAII-UINIZAEWSA-N 434.605 6.719 30 40 IKEB CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(N2CCOCC2)cc1 408930044 RHYNRYRWPXWANB-RXBBGTROSA-N 448.375 5.064 30 40 IKEB Cc1ccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)c(Br)c1 409036762 BGMIEEAVWKJOTK-HCBMXOAHSA-N 447.148 5.731 30 40 IKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409199295 CCWNEVHBGKEKDB-RUMWWMSVSA-N 443.546 8.270 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc12 409213838 VJCJMOFCIWDOHY-WGOQTCKBSA-N 435.932 6.320 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(C(C)C)cc1 1531319235 HVVHSLWENNEPJY-MMTYYTLLSA-N 426.358 5.678 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1O 3144753 WAPBJWOKTHGWLF-LGJNPRDNSA-N 443.846 6.666 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 3666440 ZQGOIHPVFKKDCR-LFVJCYFKSA-N 444.556 5.864 30 40 IKEB CC(C)(C)C1CCC(=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1 6298142 FXRFGKINKBGCOS-UHFFFAOYSA-N 429.572 6.363 30 40 IKEB CCCCCCCCCCCCCCCCCC/N=C/c1ccc(N(CC)CC)cc1 8426883 WRLQXUXCZLGIEK-KDJFERLWSA-N 428.749 9.213 30 40 IKEB N#Cc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1 8432363 DDYZKPVBNJSCGY-AFUMVMLFSA-N 428.293 5.377 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC/N=C/c1cc(Br)ccc1O 9721048 RHYWPDNDTWTBMW-LSHDLFTRSA-N 446.223 5.003 30 40 IKEB C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1C1CCCCC1 12759299 KTNTZXFHYGTLAT-QGZVFWFLSA-N 440.613 5.614 30 40 IKEB Cc1ccsc1/C=C1\C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@@H]1c1ccccc1 12955562 HKTBNOQEZATRBJ-YVVITCHPSA-N 442.967 7.914 30 40 IKEB Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(C)C)cc1C 13098531 CMXAGOVCKWZHEI-XMVGPFMNSA-N 427.545 5.059 30 40 IKEB COCc1cc(C)nc(N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1C#N 15018699 UPYPNHOWHLAXOU-RAWMCFOBSA-N 442.350 5.568 30 40 IKEB O=C(CO/N=C\c1c(OCc2ccccc2F)ccc2ccccc12)Nc1ccccc1 33392670 NSRYUBXOQJERMC-NTFVMDSBSA-N 428.463 5.547 30 40 IKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59303516 FULWGKOVUBZVJH-FOKLQQMPSA-N 441.281 5.004 30 40 IKEB CC[C@](C#N)(CCC[C@H](N)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 60249007 FXLNXOBHZFCAMR-HFZDXXHNSA-N 440.584 5.023 30 40 IKEB CCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100165408 JNMMIYWYYKPWFO-FPLPWBNLSA-N 430.248 7.252 30 40 IKEB N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C/Nc1cc(Cl)cc(Cl)c1 100394996 ACOZVZSUNBNUCP-SNAWJCMRSA-N 425.102 6.910 30 40 IKEB CC(C)(C)c1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccn2)cc1 104224670 LTLUXBLODOXHJH-MOBKVPTQSA-N 446.934 5.659 30 40 IKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224930620 OVDLOHXPIWSTMJ-UHFFFAOYSA-N 434.344 6.167 30 40 IKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 408560666 NAKSEYYJCNMSPT-UHFFFAOYSA-N 441.428 6.015 30 40 IKEB Cc1oc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c(C#N)c1C 408591410 SVKKMDWZKYYOSY-FOKLQQMPSA-N 443.288 5.531 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408673552 SVTCDHGMMJKDGZ-ZRZAMGCNSA-N 426.601 6.226 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2C)cc1 408765825 QNVNGHUBUULKAS-HMAPJEAMSA-N 435.980 6.202 30 40 IKEB COc1ccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 408848451 ZBNYKRXTUQHCNM-KOEQRZSOSA-N 429.501 6.296 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1O 408859240 RGNFSMATMMBLFT-RRQWBNHBSA-N 436.577 5.974 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 408874911 FFTHBMBNJREPIN-ZDLGFXPLSA-N 433.291 6.284 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br 408966628 PRUUJBTWDJEUFR-ONDHQXCVSA-N 445.382 5.826 30 40 IKEB C=CCn1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)c2ccccc21 1531289625 RCGUIYPMBKWMLI-AFUMVMLFSA-N 449.352 5.134 30 40 IKEB N#CCOc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384427 GZCDWZRPIMLMEX-RDRPBHBLSA-N 430.467 5.001 30 40 IKEB N#CC(CCCC(C#N)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1564885 YVWJRNWXEJCHGT-UHFFFAOYSA-N 426.563 7.176 30 40 IKEB OC(C#CC[N+]1(Cc2ccccc2Cl)CCCCC1)(c1ccccc1)c1ccccc1 1830187 XQOUENBGROMEEW-UHFFFAOYSA-N 430.999 5.780 30 40 IKEB CCCCCCCC12CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2 2049160 JYTHJSOYGHZZCH-UHFFFAOYSA-N 429.604 7.832 30 40 IKEB CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 2062869 KNZQDTUEZJGQOH-UHFFFAOYSA-N 434.319 5.921 30 40 IKEB Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(C#N)c1-c1ccc(Cl)cc1Cl 2769884 LABFJWDUONOHER-CHWSQXEVSA-N 435.332 5.508 30 40 IKEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 8451414 OFIKLJVQMWKART-HYARGMPZSA-N 440.572 5.712 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCC=C)cc2)cc1 9215743 SIXRAWDDQDJTPY-XCZPVHLTSA-N 438.527 6.059 30 40 IKEB CCCc1cc(SCc2ccc(Cl)cc2Cl)n2c(nc3ccccc32)c1C#N 9307170 GELZSBPLSVWPHG-UHFFFAOYSA-N 426.372 6.911 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NC1CCCCC1 21721998 UNHZBGQFDSEKHE-RUZDIDTESA-N 435.593 5.177 30 40 IKEB N/C(=N/OC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 35622977 GEPIMYBBSQXAGP-UHFFFAOYSA-N 435.789 5.023 30 40 IKEB C(=N/n1c(-c2ccccc2)cs/c1=N/C[C@H]1CCCO1)\c1ccc(-c2ccccc2)cc1 103371066 IXAWCLZQZXUWLP-IVYYAHHGSA-N 439.584 5.846 30 40 IKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C)(C)N1C(=O)CCC1=O 104260096 XIWRQRBDFCEUTH-VAWYXSNFSA-N 435.649 6.495 30 40 IKEB C(=N\CC/N=C/c1cc2c(c3ccccc13)CCCC2)\c1cc2c(c3ccccc13)CCCC2 104319696 VWIPOQXEVCQEGP-NRYMNODQSA-N 444.622 7.289 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 123393208 BKOGUJNRCSWUNA-JIGJNNBISA-N 446.653 5.473 30 40 IKEB CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1 408783678 OIOIYQUBPOBGBC-UCQKPKSFSA-N 444.316 5.848 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 408863354 NMOCFWVDRNWPQF-NDENLUEZSA-N 435.461 5.063 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1ccccc1 408928950 MNHVSYNLIMASFO-VWTGEQJNSA-N 431.355 5.090 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)N(C)C2=O)c1C 408968820 ZPAZNHRDXFEIIA-YOIRLTMBSA-N 433.552 6.029 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 408998878 SMGOUASVNUAODQ-JWGURIENSA-N 444.556 5.638 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCC(=O)N4CCCC4)cc3)c2C#N)C1 409162136 CWGANACQJVUWGK-DVQSINOTSA-N 449.620 5.523 30 40 IKEB C=CCOc1c(I)cc(CNc2ccccc2Cl)cc1OCC 409183519 UWTQGSHYYKBFHX-UHFFFAOYSA-N 443.712 5.520 30 40 IKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1C 409213449 VJLCSNYUZNNMGV-WKULSOCRSA-N 434.366 8.093 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1OC 409235176 YUJKEPLMTVSANN-LICLKQGHSA-N 437.348 5.601 30 40 IKEB CCN(CC)c1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409296545 TZGUBMQVBZGHLF-UHFFFAOYSA-N 436.515 5.538 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cc(C)c(C)cc1C 3299521 MQKJAFXEVOQAKW-UHFFFAOYSA-N 441.984 5.597 30 40 IKEB CC1(C)CS/C(=N\c2cccc(C(F)(F)F)c2)N1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 3300619 UCIRUMCKFSROQL-JQIXIWITSA-N 449.454 5.669 30 40 IKEB COc1ccc(N2C(=O)C(=O)/C(=C(O)/C=C/c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 8818144 VHZOHYRWKVKIDZ-UPIFZZQJSA-N 445.902 5.531 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)c2C#N)C1 9158195 UFFLWBZRTUICHD-HNNXBMFYSA-N 440.524 5.770 30 40 IKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 9272871 IRYULHGESAUXQR-NRFANRHFSA-N 448.316 5.540 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(Cl)c1 9496694 XJRYPIRZSRCIFO-UHFFFAOYSA-N 426.973 5.441 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c(OC)c1 13567939 XRAVNYPMFLHXIM-SFHVURJKSA-N 425.912 5.193 30 40 IKEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)ccc1OC(=O)c1ccccc1 13602869 RYESILVHBIXAHY-JWGURIENSA-N 444.512 5.196 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)c1O 16545085 KIQRXJZBYBFUDX-LGJNPRDNSA-N 443.846 6.666 30 40 IKEB C=CCn1c(COc2ccc(F)cc2)nnc1SCc1csc(-c2ccccc2)n1 23968802 NAHCEMCCRAUVKG-UHFFFAOYSA-N 438.553 5.598 30 40 IKEB FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)OC1(F)F 100477524 QRAOUEBOJOCMCE-ZCFIWIBFSA-N 432.510 5.283 30 40 IKEB Cc1ccc(C(=O)/C=C2\Nc3cc([N+](=O)[O-])ccc3N\C2=C\C(=O)c2ccc(C)cc2)cc1 102896297 ORXNONNFHLAHLN-KZSQTELISA-N 439.471 5.583 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)O[C@@H](Cc1ccccc1)C(=O)O 104255555 LMWLCVFSYZGFDM-VWLOTQADSA-N 432.645 7.487 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408529087 GZYNSQSUHOWMOS-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)c1C 408777446 ZPPQOXODHKVIOO-NDENLUEZSA-N 446.488 5.291 30 40 IKEB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1CCc1ccccc1 408911783 OIKHXKSOTZVSHY-FTJNEJEMSA-N 445.500 5.147 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 408967643 WJBGHKCWPDUWNR-FYJGNVAPSA-N 449.463 5.205 30 40 IKEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)C1=O 409139459 NTFWAPVBNKIWGZ-FYJGNVAPSA-N 448.906 5.160 30 40 IKEB C#CCOc1c(Cl)cc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409145873 SFGHYBQMULGHBH-MRXNPFEDSA-N 440.735 5.470 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3cc(Cl)ccc3C)c2)cc1Cl 409213931 WHYACBWENONHDB-ZMFRSBBQSA-N 427.331 6.378 30 40 IKEB Cc1cccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc23)c1C 409219489 RBEYHKITUKDFFO-JVWAILMASA-N 449.959 6.628 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)SC1=Nc1ccccc1 409239790 QLRNDAXIYHBHCW-MMKHHPBPSA-N 444.625 7.160 30 40 IKEB O=C(CO/N=C\c1ccc(OCc2ccccc2)c(Cl)c1)Nc1ccc(Cl)cc1 409375765 OYUGAESGMJBLSR-MXAYSNPKSA-N 429.303 5.562 30 40 IKEB CCOc1ccc(OCC)c(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1 1354398 KYBGEKCVXPNQQW-UHFFFAOYSA-N 435.549 5.252 30 40 IKEB N#C[C@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@](O)(c2ccccc2)C1 1675869 APFZSRPPJUQXLR-BJKOFHAPSA-N 431.333 5.498 30 40 IKEB C=C(Br)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 1815304 DQEQOPIWUNQERE-UHFFFAOYSA-N 434.428 6.242 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(CCOC)C1=O 2141561 BGOFCPTWTLESKZ-PFMNSIPKSA-N 432.545 5.489 30 40 IKEB CCCCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)c1C#N 2311191 QMSXPBZBFHMBGL-UHFFFAOYSA-N 435.980 6.727 30 40 IKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(O)c(-c2nc3ccccc3o2)c1 3066622 QWYPQLRMUCCWOF-YSURURNPSA-N 437.839 5.835 30 40 IKEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1O 4067182 XRASRYOFCAQIFR-JFLMPSFJSA-N 443.890 6.380 30 40 IKEB CCOc1ccc(NC(=O)CSc2nc(C3CC3)cc(-c3cccs3)c2C#N)cc1 6173978 JTFRSLUAPHZAPA-UHFFFAOYSA-N 435.574 5.689 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 8430516 PNGNWPJWZXHUKW-ZAMGYDSWSA-N 441.383 7.034 30 40 IKEB Clc1ccc(OCc2cccc3ccccc23)c(/C=N/NCc2ccccc2Cl)c1 8811788 YAEOXTZWBGJBPX-MUFRIFMGSA-N 435.354 6.849 30 40 IKEB Cc1ccsc1/C=C1\Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O 8990379 JRINUCJPJLYVPP-WQRHYEAKSA-N 432.906 5.094 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4F)ccc3C1=O)cn2C 8991545 PSEBQWOVGNVVAW-OPEKNORGSA-N 429.447 5.521 30 40 IKEB Cc1c(OC(=O)c2ccccc2F)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9422695 RZDOLDJTKJQRIO-YDZHTSKRSA-N 427.431 5.461 30 40 IKEB CCCn1c(/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 9679858 DUMHKXNXSGAPIM-KOEQRZSOSA-N 432.549 5.306 30 40 IKEB Cc1ccc2c(c1)s/c(=N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)n2Cc1ccccc1 9891849 SKSXLTPGUGZARV-SPKSAGFJSA-N 436.924 5.556 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)c1 13568641 YLNXEHYCYXBHDD-QUGAMOGWSA-N 427.504 5.078 30 40 IKEB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 40049309 YFHUGTGNTPUARE-IAGOWNOFSA-N 444.560 5.034 30 40 IKEB CCCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 97956238 AOIJPFSDOOPYTG-QFIPXVFZSA-N 447.623 6.706 30 40 IKEB Cc1ccc2oc(-c3cccc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc45)c3C)nc2c1 100502250 UWTOZTJZJWDZBR-MZJWZYIUSA-N 437.455 6.629 30 40 IKEB O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 101075852 CUZHAURJCHYASZ-NHFXJNLRSA-N 434.289 5.075 30 40 IKEB Cc1cc2c(cc1/C=N\c1sc3c(c1C(=O)NCc1ccccc1)CCCC3)OCO2 102789253 FFCURMFIGBFHIR-VYYCAZPPSA-N 432.545 5.345 30 40 IKEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 102865455 OQGFORKXTOCTTI-MRJHHRETSA-N 444.487 5.370 30 40 IKEB Clc1ccc(/C(=N/c2ccccc2)[C@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 104046568 UWSHCXPHJCVWGB-CGLBJELFSA-N 431.366 7.968 30 40 IKEB C=CCOc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 144212313 CPOXMRAZGMLMQK-KQWNVCNZSA-N 430.529 5.900 30 40 IKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 225767308 FKJDESCNPMQRNQ-MRXNPFEDSA-N 445.390 6.883 30 40 IKEB C=C(C)[C@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 253501194 MHAVMNJPXLZEIG-RROPCSHZSA-N 438.696 7.412 30 40 IKEB biogenic,in-vitro C=CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC 408777532 BKUNHBMMZIOLHA-CBIIRDDDSA-N 444.984 5.466 30 40 IKEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)o2)cc1 408791538 ZWANSFDLVREXRO-YZSQISJMSA-N 446.528 5.609 30 40 IKEB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1 408888571 XHKJMQNCURTSOC-MTJSOVHGSA-N 442.456 5.150 30 40 IKEB CC(C)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 408914387 USCWJMRUXKJLLE-UINIZAEWSA-N 428.557 6.530 30 40 IKEB CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(Cl)c1OCC 408920107 HEIWMTIXLFJTHS-UHFFFAOYSA-N 443.971 5.571 30 40 IKEB Cc1cc(/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)ccc1I 408960975 KQXIRVJEOLTNQR-JJFYIABZSA-N 445.256 5.617 30 40 IKEB C=CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1Br 409118085 OTQJQCGETPLNFQ-UHFFFAOYSA-N 425.164 6.005 30 40 IKEB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)ccc1Cl 409200647 JETSRLBZQXNPNU-YDZHTSKRSA-N 427.913 5.097 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OCC)c1OC 409339341 HOKOBEOKKXDQRL-ZHZULCJRSA-N 425.575 5.224 30 40 IKEB CCCC(CCC)=N/N=C1/N=C(O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 634342 XXBBKRHBISCKSK-OAHLLOKOSA-N 429.373 5.706 30 40 IKEB CCOC(=O)c1c(CSc2nc(C)c(C)c(C)c2C#N)oc2ccc(OC(C)=O)cc12 1436777 FFKQUBIIFNXLMG-UHFFFAOYSA-N 438.505 5.019 30 40 IKEB C=CCOc1ccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CCC)cc1 2113896 VNQNZAZPMBQKNI-HSZRJFAPSA-N 448.548 5.050 30 40 IKEB Clc1cc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2cc1Cl 2386333 FNXCATDORZAEFA-UHFFFAOYSA-N 447.364 8.099 30 40 IKEB COc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1Cl 3202215 RBDLVIZIVMFNBD-BRJLIKDPSA-N 434.706 6.625 30 40 IKEB Cc1ccc(N(CCC#N)C(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 3398418 PEIJSPBQJHRPPT-INIZCTEOSA-N 436.606 5.164 30 40 IKEB COc1ccc(N2C(SC)=N/C(=N\c3ccc(Cl)cc3)C23CCC(C)CC3)cc1 8445543 JZCBHVKCCIGOQQ-DAFNUICNSA-N 428.001 6.567 30 40 IKEB N#Cc1c(OCc2ccccc2Cl)nc2c(c1-c1cccs1)CCc1ccccc1-2 8450697 JZYFEWRIGIIKBR-UHFFFAOYSA-N 428.944 6.680 30 40 IKEB Cc1ccc([S@@](=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C#N)cc1 8781510 FPUBFIBFUHAENF-NDEPHWFRSA-N 429.328 5.593 30 40 IKEB C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 9301377 LYFJQNSFHABRNL-AZGAKELHSA-N 430.935 6.456 30 40 IKEB CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@H]2CN=N[C@]2(C(C)(C)C)C1=O 9357875 AVACOHUQWPOENZ-YBAFNYOBSA-N 440.591 6.302 30 40 IKEB C(=N/c1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1)\c1ccccc1 12375800 NFKDYJICOHIJDQ-STKMKYKTSA-N 434.542 8.473 30 40 IKEB COc1cccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c1 12630128 QMVYJJUAUVALBU-INCSMEFSSA-N 444.512 5.198 30 40 IKEB COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)ccc1OC(C)C 13568612 LEZOUGGFQGMRHJ-HKUYNNGSSA-N 439.939 5.140 30 40 IKEB C#CCOc1ccc([C@H]2SC(C)=Nc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 14000954 SDQFDWUUARRMHY-HSZRJFAPSA-N 433.533 5.096 30 40 IKEB N#Cc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1Cl 14686146 MWJDAMXVLVJFKO-UHFFFAOYSA-N 443.256 5.134 30 40 IKEB Cc1ccc(-n2nc(C)c3c2N[C@H](c2ccc(N(C)C)cc2)C2=C3CC(C)(C)CC2=O)cc1 16311722 QHKFPKKWMKWFKA-AREMUKBSSA-N 440.591 5.865 30 40 IKEB C(=N/c1ccccc1)\C1=C(N(c2ccccc2)c2ccccc2)/C(=C/Nc2ccccc2)CC1 16488102 GXBQJYINGLJJDR-SGBSCXRBSA-N 441.578 8.271 30 40 IKEB CC1=Nc2cc(Cl)c(Cl)cc2N(C)/C1=C/C1=C(Cl)C(=O)c2ccccc2C1=O 31759898 XKFQSLPTTUGNBQ-REZTVBANSA-N 431.706 5.992 30 40 IKEB O=C(Nc1cccc(OC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 40059528 KAGBTJREXDNDND-UHFFFAOYSA-N 433.283 5.181 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(OCC)c1OCC 59106116 UUVGVJXRMZIXQL-XSFVSMFZSA-N 426.513 5.243 30 40 IKEB FC(F)(F)CNc1ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103598042 ZHZSXVFMUMWDSD-UHFFFAOYSA-N 437.224 5.898 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S/C1=N/c1ccccc1 223524986 VGJLOFOGXZMALQ-LPJLAFHTSA-N 433.621 6.423 30 40 IKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1Cl 408771913 JBABMAKSGWYMLQ-PXNMLYILSA-N 427.740 5.937 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O 408911561 KCCJDMYITLACQY-YCJCGMCGSA-N 430.573 6.559 30 40 IKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Br 408945941 XSLBOQDZPZXFRQ-JDTUQCDQSA-N 445.360 6.732 30 40 IKEB CCOc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 408968962 DRYKXFLWYKYKLN-OVVQPSECSA-N 432.589 6.809 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S1 409070916 MJJQQNATKGEXDM-STZFKDTASA-N 436.989 6.691 30 40 IKEB Cc1ccc(C)c(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)c1 409213411 UNVHNMNOZDIEKK-CVKSISIWSA-N 441.443 6.816 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2OCC)SC1=S 409345919 MSXGNTWKOJHWLI-UUYOSTAYSA-N 439.646 5.940 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@H](C)CCC3 2298462 KRDBRXHSUNQNGH-QGZVFWFLSA-N 426.651 6.950 30 40 IKEB COc1ccc(Cn2cc(-c3ccccc3)c(C#N)c2/N=C/c2ccc(Cl)cc2)cc1 3469596 UGEMRESURWAQPG-MUFRIFMGSA-N 425.919 6.488 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccs1 3639482 AISMWPYDQOWCRL-UPCLLVRISA-N 437.561 5.072 30 40 IKEB CCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OCc1ccccc1Cl 8781248 IOASDCBKAQAADV-MFKUBSTISA-N 439.968 5.638 30 40 IKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 9046297 QQLVHETVPXWTBX-OAQYLSRUSA-N 444.487 5.527 30 40 IKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cccc(Cl)c1Cl 9196466 SMKAQJQULUDTAH-KIBLKLHPSA-N 441.189 6.831 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc(I)cc3)c2C)cc1 9311802 RTQVYIYYVIEATR-LPYMAVHISA-N 429.305 5.453 30 40 IKEB CCOc1cccc(/C=N/c2ccc(Br)cc2)c1OCc1ccc(F)cc1 16693328 UUUWYXQCPIEICA-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)C)cc1 20170960 OCWVAGXFLJQITH-QHCPKHFHSA-N 438.568 5.022 30 40 IKEB N#CC1(C#N)[C@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21 20814322 QZNUVBSFMIMCKU-AKFKNWHVSA-N 425.488 5.297 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1 32916756 ZEAPQUSEFZZJJT-CIAFOILYSA-N 433.489 5.672 30 40 IKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])cc1 33661686 JHHUILZDTOABFS-SWGQDTFXSA-N 441.386 5.893 30 40 IKEB Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2cccc(Cl)c2)c1 44858674 GYQYCXPGEUMNCU-QFIPXVFZSA-N 432.911 5.119 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccc(C)c(C)c1 96609974 LTLKXHYORSIHQV-JMCHZZBBSA-N 442.584 6.506 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1C1CCCC1 100116134 NCUONQITRHPRGZ-ZEHKLFRWSA-N 447.648 7.157 30 40 IKEB C#CCOC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccc(Br)cc12 226360618 RIWZVCIVVMFEBW-UHFFFAOYSA-N 442.312 5.706 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N2C(C)C)cc1 408909799 FBEZEUMNWUKRCY-QMSJJHEMSA-N 447.516 6.176 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc1)N2 408935108 GTFIQLBGUIBNKM-OIUYQCDRSA-N 425.488 6.186 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 409214813 YINRLDKWYQKBQR-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409215222 YYBTUSSSTLGUQW-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Br)o2)C2=C1CC(C)(C)CC2=O 409217162 STTLJQBEZIKGLO-UHFFFAOYSA-N 432.358 5.358 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409384937 GTNATSOZLANBQR-WYMPLXKRSA-N 437.521 5.700 30 40 IKEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Br 947378 MAHBDAMBCSTTSA-ZCRIDZFUSA-N 431.355 5.168 30 40 IKEB CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1103541 LZEHYRKJLJNDJP-QHCPKHFHSA-N 444.506 5.297 30 40 IKEB CN(C)c1cccc2c1C(=O)C=C[C@@]21CCc2ccc(N(C)C)c3c(N(C)C)ccc1c23 1856438 BUCXQKQWSZDMOG-NDEPHWFRSA-N 425.576 5.023 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(C[C@@H]2CCCO2)C1=O 2057535 SYSLHZGKUNLUIS-OTZCALNNSA-N 442.968 5.522 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@@H]2c1ccc(-c2ccccc2)cc1 2063819 OCINQIBDNMBAJJ-GDLZYMKVSA-N 430.551 7.211 30 40 IKEB C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O 2618969 CWUQHJVMHLIYPO-GFCCVEGCSA-N 434.348 5.009 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2 3269795 BMGMIDQXEMBECV-UHFFFAOYSA-O 436.885 5.275 30 40 IKEB CCN1/C(=C/C(=O)C2(c3ccc(F)cc3)CCCC2)C(C)(C)c2c1ccc1ccccc21 6147155 FJHWGUCSIFJGGC-NCELDCMTSA-N 427.563 7.061 30 40 IKEB COc1cccc(-c2csc(N3CCN(/C(S)=N/c4ccccc4Cl)CC3)n2)c1 8686001 ODTAEOWKFQKONH-UHFFFAOYSA-N 445.013 5.212 30 40 IKEB aggregator N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1 8809655 TVZGYDFNXIIQQR-UHFFFAOYSA-N 430.935 7.372 30 40 IKEB Cc1ccc(C(=O)Nc2sc(C(=O)Nc3cccc(C)c3C)c(C)c2C#N)cc1[N+](=O)[O-] 8926595 QNYRIOWMXNIOBC-UHFFFAOYSA-N 448.504 5.266 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c2ccccc21 8991147 FPSKOHSZTNPLJA-LPYMAVHISA-N 433.504 5.306 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 9020044 CAIOWLYTAFINAI-HSZRJFAPSA-N 447.462 5.016 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccs1)n1c(nc3ccccc31)N2 9546495 BZZXKWMOGQKOBW-NPMXOYFQSA-N 431.948 6.167 30 40 IKEB O=C(NC(Nc1ccccc1F)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl 12375653 LNHHFTOLPBHHPI-UHFFFAOYSA-N 449.153 5.795 30 40 IKEB O=C1CS/C(=N\N=C\c2ccc(Br)cc2)N1Cc1cccc2ccccc12 13564400 HUBUMFQFTVPSRZ-VCASSKIBSA-N 438.350 5.068 30 40 IKEB Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)n1 13579597 RNYNJDQAANMJIG-UHFFFAOYSA-N 430.529 5.145 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C#N)C1 13940700 HIJKFEJSXILTTE-AWEZNQCLSA-N 431.399 6.176 30 40 IKEB Cc1cc2c(cc1C)N[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 18107743 QZJRQBFNIKGYNQ-JOCHJYFZSA-N 425.370 6.288 30 40 IKEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)s1 18200820 DWXRYRSWBFAUSL-OYHNWAKOSA-N 443.528 5.087 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CO 72399494 CTHUQQFNFRTUSM-DWVLVAQTSA-N 439.681 6.977 30 40 IKEB in-vitro Fc1c(F)c(F)c(Nc2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c(F)c1F 104148465 WDUOSSHHRIWPRO-UHFFFAOYSA-N 435.167 6.253 30 40 IKEB CCN1c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C 208322734 BRPFAJXIVMIAOT-LJGKHRNASA-N 425.489 5.370 30 40 IKEB Cc1nnc(S)n1/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408877997 ZUISXZYYAQHXGX-AUEPDCJTSA-N 430.364 5.376 30 40 IKEB O=C1C(=Cc2cc(Br)ccc2OCc2ccccc2F)C(=O)c2ccccc21 408913836 OCVQORZBFKHVKR-UHFFFAOYSA-N 437.264 5.630 30 40 IKEB COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 408934448 ATOABYCADJWBHR-WNPYWFSYSA-N 428.963 7.234 30 40 IKEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccc(OCc2ccccc2Cl)cc1 409053650 NWFAGBWVTUGORQ-OGLMXYFKSA-N 447.991 7.187 30 40 IKEB C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1Cl 409083586 SYUJCDLZTSNTSC-SOMGSRHFSA-N 445.371 6.019 30 40 IKEB C#CCOc1c(Br)cc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1OCC 409125679 AMEGZJMSVUAOAU-AQTBWJFISA-N 440.337 5.157 30 40 IKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(=O)N3CCCC[C@H]3C)c12 409136973 SSAWXKWEYSSHLA-GOSISDBHSA-N 440.543 5.067 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2cc(C)ccc2C)cc1 409213037 SAOSCDZBJYEZOD-WPWMEQJKSA-N 429.541 6.283 30 40 IKEB Cc1ccc(-n2c(C)cc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2C)nc1 409402375 DZQCAYKKTXMHSD-UHFFFAOYSA-N 433.515 5.057 30 40 IKEB Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c(C)c1 1068396 POLQYPVNZHMTEU-SKWYYERQSA-N 443.572 5.464 30 40 IKEB C=C(Br)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 2316340 KCGARPAXCBIISG-UHFFFAOYSA-N 433.396 5.245 30 40 IKEB N#Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1S(=O)(=O)Cc1ccccc1 3616846 KRLGAXWPQGNKFX-UHFFFAOYSA-N 441.508 6.117 30 40 IKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 9374028 OHYCVEFUXLAKRX-OAQYLSRUSA-N 437.854 5.271 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)c2ccccc21 9422684 UREXVPYNLFKIIK-ZMOGYAJESA-N 427.431 5.636 30 40 IKEB CCn1nccc1C(=O)/C=C/c1ccc(OC)c(COc2ccc(Br)cc2)c1 19633250 PLIDPALTLPQGIO-ONNFQVAWSA-N 441.325 5.149 30 40 IKEB CC(C)c1ccc([C@@H]2N/C(=N\c3nc4ccccc4o3)Nc3c2c(=O)[nH]c2ccccc32)cc1 22528210 CJUFBYXCGWKYRU-QHCPKHFHSA-N 449.514 5.585 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)c1 32916779 BPRGRPBFRSPLDW-WSDLNYQXSA-N 446.532 5.511 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 39921291 GSQAAKAOMJBFDI-XMMPIXPASA-N 446.528 6.757 30 40 IKEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 59484853 IZVJAXDYUKJUCR-YWROOUKNSA-N 429.501 5.268 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2cccc(Cl)c2)sc1C 102927255 WXJIVONQSKYAPY-UYTDBDHRSA-N 430.938 5.101 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)CC(=O)C[C@H]43)C2)cc1 245239372 IFADLLNZMJESQF-KJIPHPNJSA-N 444.637 5.681 30 40 IKEB CCOc1c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC 408911244 JOMOAGWLIIOXIE-QQXSKIMKSA-N 434.561 6.037 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3c(OC)ccc4ccc(OC)cc34)S2)cc1 408952630 LZOMCUKLQREPAR-HYARGMPZSA-N 434.517 5.147 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)S2)cc1C 408961820 OEIZBSLTPJRODJ-MTJSOVHGSA-N 432.501 5.462 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409199942 FXTCPGPRAWNDQY-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(Oc4ccccc4Cl)cc3)cc2)cc1 409243687 XPGMZYDIPRALJJ-MTDXEUNCSA-N 429.972 8.343 30 40 IKEB CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 1413010 MJCMKTPAJJWGSN-QYBDOPJKSA-N 428.601 7.025 30 40 IKEB COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 2401311 VGOSIADERZWOQI-UUYOSTAYSA-N 436.847 5.193 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(C)cc3C)c2-c2ccccc2)cc1 3665943 QRFXJRPXECQHFE-STKMKYKTSA-N 440.590 8.487 30 40 IKEB COc1cc(/C=N/c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c(O)c([N+](=O)[O-])c1 4280957 DMDMUZSVRNFSGM-VULFUBBASA-N 446.459 6.043 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)cc1 6283058 VFYROTRSQQWLQJ-NRFANRHFSA-N 437.854 5.271 30 40 IKEB Cc1ccc(/N=C(\c2ccccc2Cl)N(C(=O)c2ccccc2)c2ccc(C)cc2)cc1 101556885 RMOCSCKITFQMLQ-KDJFERLWSA-N 438.958 7.382 30 40 IKEB C/N=c1/scc(-c2ccc(C3CCCCC3)cc2)n1/N=C/c1ccc(C(=O)OC)cc1 103460464 RVCZBTZARUJJMM-OAYPTABJSA-N 433.577 5.464 30 40 IKEB CCOc1cc(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)cc(Br)c1O 103583906 GPRTVQKJQYWQKK-YVNNLAQVSA-N 445.338 5.340 30 40 IKEB C#CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OCC 408606598 IWQBIJYKVFTVIS-UHFFFAOYSA-N 429.141 5.779 30 40 IKEB Fc1ccc(COc2ccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1 408737067 HEGKNJXPFFPFAK-AJBULDERSA-N 447.513 7.008 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 408759242 ALEWHBDTBUHNJM-FYJGNVAPSA-N 433.489 5.617 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)S2)c1 408808219 FBBDYWXMDICVCI-QFEZKATASA-N 448.551 5.761 30 40 IKEB CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 408907039 GBWQJJRGSXPZAY-NYHUGOSPSA-N 426.585 7.175 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(OCC)c1OCC 409211959 KZXMBHWJXAOTJS-OQKWZONESA-N 437.561 5.492 30 40 IKEB CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)c1OCC 1531382623 BZSLTERIPOOXOE-JVWAILMASA-N 447.922 5.397 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 861254 SSPBPHSKZQHDGD-CBZJRKILSA-N 439.946 6.801 30 40 IKEB COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1434754 XEOFLJWHOWJEGJ-KDYSTLNUSA-N 438.527 5.761 30 40 IKEB N#Cc1ccc(-c2ccc(OCc3nnc(-c4ccccc4Br)o3)cc2)cc1 2624383 AMDPQJLHLTYOAX-UHFFFAOYSA-N 432.277 5.617 30 40 IKEB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 3171739 CKFCGVWAOXBROO-AWEZNQCLSA-N 429.263 5.412 30 40 IKEB CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 4018586 HJYQHNZJOCPURW-AREMUKBSSA-N 441.531 6.124 30 40 IKEB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1 8441038 MTAMJZBMKMUXKA-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB Cc1c(Cc2ccc(Cl)cc2)c(NC2CCCCC2)n2c(nc3ccccc32)c1C#N 9210917 ZXFKVGRLXJWXGU-UHFFFAOYSA-N 428.967 6.656 30 40 IKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccco1)N(C(=O)c1ccco1)c1ccccc1N2 9264372 IZHRCDYDYOIOKV-LMKMVOKYSA-N 440.455 5.680 30 40 IKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 9311759 JSFOSVVHBVNLMZ-CPNJWEJPSA-N 442.928 5.130 30 40 IKEB CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 9374793 PYQIFMUZXFIOCF-XMMPIXPASA-N 442.515 5.039 30 40 IKEB N#Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccc2)c1 9446156 FTZSOAVOERYIOT-VYIQYICTSA-N 444.288 5.552 30 40 IKEB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 9608802 ZRZQVYAFRNBQQO-KRWDZBQOSA-N 427.545 5.002 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1OC 11869969 IOKJFPSQDPZDEG-DDIODMMUSA-N 428.440 5.095 30 40 IKEB biogenic C=CCn1c(S)nnc1-c1sc(NC(=O)CCc2ccc(C(C)(C)C)cc2)nc1C 12946912 KERBVGYGYYZZCF-UHFFFAOYSA-N 441.626 5.054 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c(OC)c1 13567940 XRAVNYPMFLHXIM-GOSISDBHSA-N 425.912 5.193 30 40 IKEB Cc1ccccc1N/N=C1\C(=O)N(c2nc(-c3ccccc3)cs2)N=C1c1ccccc1 13573843 KLYQHVASGGCTIR-NFFVHWSESA-N 437.528 5.338 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccccc1Cl 14117813 JOMMBXYYLFDJNF-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB N#Cc1c(SCc2nc3ccccc3[nH]c2=O)nc(-c2cccs2)c2c1CCCC2 16525022 HCDBZRTWKOJDBJ-UHFFFAOYSA-N 430.558 5.089 30 40 IKEB Cc1cc(C)cc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 20345347 VAJSXTWRMFMWNY-HHHXNRCGSA-N 441.531 5.515 30 40 IKEB O=C(Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1cccc(Cl)c1 38179849 MKNSLOIUFPKONX-FSJBWODESA-N 429.701 5.811 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/c1ccc(C)cc1 100499528 BWOPZPQDMSIARW-VHPLVOQASA-N 437.590 5.554 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 408914645 VMSXQFMMJNTZGS-KWPJTZOTSA-N 432.589 6.497 30 40 IKEB Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)c1 409216632 MTZDDDUKQGAVJS-CEUNXORHSA-N 436.511 6.555 30 40 IKEB COC(=O)c1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2436284 LZINUTKQGSDHOE-FMCGGJTJSA-N 448.858 5.005 30 40 IKEB N#Cc1c(NC(=O)CC(c2ccccc2)c2ccccc2)oc(-c2ccco2)c1-c1ccco1 3310278 CNLBCNQINPDRIQ-UHFFFAOYSA-N 448.478 6.832 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(-c2ccccc2)n1 4913555 JHWCRFGEAATSOO-FTIQDDARSA-N 431.645 7.426 30 40 IKEB COc1ccccc1[C@H](CNc1oc(Cc2cccc3ccccc23)nc1C#N)N(C)C 8915849 WWBOCEUHUVGZLM-QHCPKHFHSA-N 426.520 5.014 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl 9370730 WLSWQWVNLFYOOH-NRFANRHFSA-N 438.310 6.085 30 40 IKEB C=CCn1c2ccccc2n2c(C(=S)Nc3ccccc3)c(-c3ccc(Cl)cc3)nc12 9554104 BWYSGPBOSPPESR-UHFFFAOYSA-N 442.975 6.583 30 40 IKEB C=CCn1c(SCC(=O)N[C@@H](C)CCC)nc2sc(-c3ccccc3)c(C)c2c1=O 12801964 PIKANEIOZXDDNR-HNNXBMFYSA-N 441.622 5.016 30 40 IKEB COc1cc(C#N)ccc1OCc1csc(-c2cc(Br)ccc2OC)n1 12804216 GOYMDCOTXGOCHO-UHFFFAOYSA-N 431.311 5.040 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)o1 14132647 LFJAAWJOTLZHAE-ZVHZXABRSA-N 436.492 6.208 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 14163664 PMCSJVLUTVSTSD-SGANQWHYSA-N 429.520 5.144 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 16384590 VDLYBHHNMHNKHX-WYMPLXKRSA-N 427.264 5.914 30 40 IKEB CC(C)(C)/N=C/C=C(\Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 17101657 NKHFUGFAONPQQI-RWGDXKNYSA-N 437.612 7.746 30 40 IKEB C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C1 20647088 ASMRQDHESBTGRW-KJJUKEMKSA-N 432.347 5.793 30 40 IKEB O=C(/C=C/Nc1ccc(OC(F)(F)F)cc1)c1ccccc1OCc1ccc(Cl)cc1 100409230 QBPTZZLYUQPGPC-BUHFOSPRSA-N 447.840 6.626 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccccc1 104496473 FHMCEGDVPFLQAX-UHFFFAOYSA-O 445.756 7.641 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 118916320 UELTYJDTQILMTO-IRKZJABGSA-N 446.553 6.671 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 408531124 OILKPSKNBUOHDI-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1 408601990 MSPDEDQCSIWDIT-YBFXNURJSA-N 439.880 5.708 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 408742696 SDTGPTXONMFAAE-IWIPYMOSSA-N 445.588 6.001 30 40 IKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(I)cc1 408785451 ZAOHCSWJZBBZNI-WSDLNYQXSA-N 434.708 6.103 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)S2)cc1 408891955 WHFBAXLNAGCRMB-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)cc1 409019410 IYIKOIILUFQUFF-STZFKDTASA-N 437.952 5.729 30 40 IKEB CC(C)(C)[C@@H]1C[C@@H](C(C)(C)C)[C@@]2(C(=O)OC3=C(C2=O)[C@H](C(C)(C)C)C[C@@H]3C(C)(C)C)C1=O 409066028 VMDSRARXVSWQPD-BMUNIIBWSA-N 444.656 6.379 30 40 IKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC 883396 RVKAPMSAJHNMDA-CPJLOUKISA-N 432.545 5.745 30 40 IKEB O=C1/C(=C\c2cccc(Br)c2)CCC/C1=C\c1cccc(Br)c1 2549087 AHJCUJSTWXHHHI-VRNBXGKJSA-N 432.155 6.432 30 40 IKEB COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OC 6075248 FFQWKIASRBTZQZ-CQSZACIVSA-N 428.554 5.049 30 40 IKEB CCN1C(=O)/C(=C\c2cn(CCC#N)nc2-c2ccc(-c3ccccc3)cc2)SC1=S 9090525 ZJSPWCKAOBIAGW-RCCKNPSSSA-N 444.585 5.352 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(OC)c(OC)c4)Oc4ccccc4[C@H]3C2)cc1 12194255 FJEKASOJDJPVBY-KCWPFWIISA-N 442.515 5.511 30 40 IKEB CC(C)c1c(C#N)c(N)nc(SC(C)(C)C(=O)Nc2cccc(Cl)c2Cl)c1C#N 13578788 WWMRHOKPUNYNJB-UHFFFAOYSA-N 448.379 5.347 30 40 IKEB Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 15946467 ZJIQKEVCHBYUGA-MQRLXVCBSA-N 448.607 7.350 30 40 IKEB O=C1N=C(c2cc3ccccc3oc2=O)S[C@@H]1C/C(O)=N/c1ccc2ccccc2c1 18992312 VJEYHHKVQMWIPM-HXUWFJFHSA-N 428.469 5.013 30 40 IKEB COc1ccc([C@@H](CNc2oc(Cc3cccc4ccccc34)nc2C#N)N(C)C)cc1 27793550 AUZFPBOLFIOQJP-XMMPIXPASA-N 426.520 5.014 30 40 IKEB N#Cc1ccc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)nc1 58614892 XSTCAASOUYBHHC-UHFFFAOYSA-N 425.304 5.054 30 40 IKEB CCCCCCCCOC(=O)C(=Cc1ccc(O)cc1)C(=O)OCCCCCCCC 59664100 IIEJQXNCSVDZNG-UHFFFAOYSA-N 432.601 6.583 30 40 IKEB CCCCCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O 100022037 LQESNAREESPTNY-UHFFFAOYSA-N 430.717 9.070 30 40 IKEB in-vitro Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 408874894 DWGIKEDSCZWYOI-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB FC(F)(F)c1cccc(-n2cccc2/C=N\c2ccc(I)cc2)c1 408932741 DUASHDPNQIYNBV-FMCGGJTJSA-N 440.206 5.851 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S1 409016135 COGMKARIARJIPJ-PDGQHHTCSA-N 443.018 6.753 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccccc4C(=O)O)o3)c2C#N)C1 409080461 DLMOULYCJSAQDE-FYDYWCEBSA-N 432.545 6.480 30 40 IKEB CCCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)S/C1=N/c1ccc(Cl)cc1 409086704 APAIUTGIFFMYCU-QPGSGLTOSA-N 430.913 5.091 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409200853 JQQIXFXZXXXNSX-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)c(Cl)c1 409209051 FKQVFANGUVJUMN-WYMPLXKRSA-N 435.148 7.086 30 40 IKEB CCc1nn(-c2cc(Oc3cc(C)c(Cl)c(C)c3)nc(-c3ccccc3)n2)c(N)c1C#N 632480 DJYHEFRLZBDEPN-UHFFFAOYSA-N 444.926 5.408 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Br)Nc1ccccc1N2 709509 ASSBIDWZDQGTAA-NSYGIPOTSA-N 445.360 6.429 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 2164852 XFGBGNKWVWVKLQ-YVLHZVERSA-N 436.316 5.808 30 40 IKEB O=C(Nc1ccc(F)c(Cl)c1)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 2277167 UZVXKFBDLYJWFB-UHFFFAOYSA-N 448.697 5.640 30 40 IKEB C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 8869471 SLFKMUZAMXAILW-QHCPKHFHSA-N 427.456 5.005 30 40 IKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3C)c3cc(Cl)c(O)cc3O2)N1 12715365 DWZPVAPVXDLQKE-MHECFPHRSA-N 443.012 6.012 30 40 IKEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 13014241 MWNONHQLNVGGRZ-KRWDZBQOSA-N 443.503 5.953 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 13653640 QSRNKIXPKSZBPP-MTJSOVHGSA-N 426.877 5.032 30 40 IKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 15913962 MFVRBAIWHRXZMZ-CCVNUDIWSA-N 440.856 6.658 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)c2C#N)C1 17098367 SQNXLBNMMMSKFA-KVEVGEHQSA-N 433.404 6.729 30 40 IKEB CCCCCCCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 97998506 RHHLRXFSHMZSGW-UHFFFAOYSA-N 448.542 5.871 30 40 IKEB CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1/C(=N/O)c1ccccc1 103005680 BMSHMTIZGLXLTA-OCEACIFDSA-N 444.641 6.576 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)S/C1=N/c1ccccc1 223579726 YIYPGRHCNAEFFC-BYZOWGHSSA-N 447.648 6.731 30 40 IKEB O=C1/C(=N\Nc2cccc(Cl)c2Cl)c2cc(C(F)(F)F)ccc2N1C1CSC1 223745045 KOHAMENSXRWMBW-XYGWBWBKSA-N 446.281 5.290 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 245241811 PXDOMWMSMCFAEF-WTYUPJAWSA-N 444.562 6.254 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1Cl 408587752 HAVSJWITPNICIR-SSDVNMTOSA-N 427.848 5.318 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 408670086 HZFVVOWGXKLKDR-DHIUTWEWSA-N 426.601 6.226 30 40 IKEB Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1cccc([N+](=O)[O-])c1 408774475 LPDUJGGIKDOKFE-MTJSOVHGSA-N 445.260 5.358 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CC 408913736 RKBMHJGMHOJPTH-LBMUFILHSA-N 447.516 6.041 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)S2)cc1 408965210 HIIVFHGAOBTDNA-IWIPYMOSSA-N 438.556 5.842 30 40 IKEB C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OC)c1OCC 409074940 ORBPDOLOCJIAQE-UHFFFAOYSA-N 435.564 5.256 30 40 IKEB CCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409208066 AOLBVLZFLLULQV-HJHSVFMCSA-N 430.617 7.463 30 40 IKEB N#CCn1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c2ccccc21 409378225 NSZVCDDBESQNRM-NVMNQCDNSA-N 427.316 5.363 30 40 IKEB CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1O[C@H](C)CC 409405357 UDXPAMQGZKEKEL-LJQANCHMSA-N 441.531 5.522 30 40 IKEB CCCc1cc(N2CCN(c3ccc(Cl)cc3)CC2)n2c(nc3ccccc32)c1C#N 1245190 CHGDGCDVHTUJOP-UHFFFAOYSA-N 429.955 5.292 30 40 IKEB CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 2027953 LNBPNFPHPLKJNI-UHFFFAOYSA-N 444.325 5.377 30 40 IKEB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccccc1C 2406797 BNVXKJJPSNQWLM-LQKURTRISA-N 438.535 5.065 30 40 IKEB COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 2420836 ILKXCWVEDGJAFZ-YUMLRZHGSA-N 436.866 6.239 30 40 IKEB Cc1ccc(/N=C/c2cc(Cc3ccc(O)c(/C=N/c4ccc(C)cc4)c3)ccc2O)cc1 3168153 FZTXWDRDBSAVQW-GFTXTJKWSA-N 434.539 6.807 30 40 IKEB Cc1nc(C/C=N/OCc2ccc([N+](=O)[O-])cc2)c(C#N)c(-c2ccc(Cl)cc2)c1C#N 8763267 AMAFMYFHPRTUGT-LUOAPIJWSA-N 445.866 5.107 30 40 IKEB O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8856339 LOMWMVFDEDHQBR-UHFFFAOYSA-N 434.461 5.068 30 40 IKEB N#Cc1c(-c2cccc(F)c2)cc(-c2cccs2)nc1SCCCOc1ccccc1 8857470 VNCNSSLTIXGCAH-UHFFFAOYSA-N 446.572 7.049 30 40 IKEB N#Cc1ccccc1/C=N/c1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 9239770 OCZSBAXWOFPOEE-BIZUNTBRSA-N 443.937 7.844 30 40 IKEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccc(Cl)c4)nn32)c1 9731821 VVWNYNGQYQHAER-NRFANRHFSA-N 434.927 5.265 30 40 IKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 12612045 XUCXOTNIKLAVIN-QHCPKHFHSA-N 431.511 5.529 30 40 IKEB CCCCCCNc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n12 12680704 IDPXIUUXHCXSNZ-UHFFFAOYSA-N 430.983 6.904 30 40 IKEB Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2Cc2ccccc2)c1 13080562 JKAFXXMAVDDEAU-SLJQUXCSSA-N 443.597 6.169 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1c[nH]c3ccccc13)n1nc(C(F)(F)F)nc1N2 13813669 CKVDPHQYKOMKDF-QKKBWIMNSA-N 449.436 5.194 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ncnc4sc(C)c(C)c34)c2C)cc1 14356750 SSQQJYRKTRSGJY-KKMKTNMSSA-N 447.564 5.338 30 40 IKEB O=C1/C(=C\c2ccc(N3CCCCC3)cc2)S/C(=N/c2ccccc2)N1Cc1ccco1 18121051 GVSWZUGWKHMTRH-CFEZCKOSSA-N 443.572 6.074 30 40 IKEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3cccc(Cl)c3)S2(=O)=O)cc1 20558774 MKKAOHKLYVIWRW-HYARGMPZSA-N 438.936 5.135 30 40 IKEB Cc1ccc(SCC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 30823024 SXGNEADKCWLFAE-SANMLTNESA-N 444.556 5.887 30 40 IKEB Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 44858896 IYEXEVVZDYNOHH-HSZRJFAPSA-N 426.520 5.102 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 101361400 XPYTWGUIIIEORN-RQZHXJHFSA-N 425.557 6.196 30 40 IKEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 102732775 COKJKTOCEYAQRT-AYWGPLOBSA-N 446.503 5.131 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 102866509 SBBXHXHFEBWASW-NHFXJNLRSA-N 430.460 5.062 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118936500 MQYXUWHLBZFQQO-IAWIYWMPSA-N 426.729 8.025 30 40 IKEB CCCCCCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccc(Cl)cc2)NC1=O 408540368 QVLXXWUNGGAENJ-XSFVSMFZSA-N 449.403 6.844 30 40 IKEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC#N 408761329 IOIWOBRPSCIJNR-JWGURIENSA-N 447.560 5.170 30 40 IKEB Cc1cc(C)c(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1C 408974592 BRGPIWYTWIDRAT-HSIVCTKQSA-N 426.585 7.037 30 40 IKEB CCOc1cc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3ccccn23)cc(Cl)c1O 408975581 NLEYZTUVMFKEGY-DHRITJCHSA-N 437.883 5.224 30 40 IKEB C=CCn1c(C)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c2ccccc21 409301596 BKKFKVIEXZPUHE-UHFFFAOYSA-N 449.352 5.053 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C#N)C1 2163513 MWZUIROGVOFBTI-GFCCVEGCSA-N 437.392 6.095 30 40 IKEB Cc1cccc2oc(-c3ccc(/N=C/c4cccc(I)c4)cc3)nc12 3115296 HGWQVWUQVRYCAG-YDZHTSKRSA-N 438.268 6.158 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 6446074 AKIZFOBIXPHFNG-UBFVSLLYSA-N 435.914 5.624 30 40 IKEB CCCCOc1ccc(C(=O)/C(=C/c2ccccc2Cl)c2nc3ccccc3o2)cc1 8437032 GRRBNEFLAINRPX-FXBPSFAMSA-N 431.919 7.084 30 40 IKEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1cccc(Br)c1 8821154 HMYBBNURYPQFFN-ZROIWOOFSA-N 438.144 5.103 30 40 IKEB COC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)c1 9196543 IZBOEYHUGVTIFZ-BRJLIKDPSA-N 430.335 5.311 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccc(Cl)c(Cl)c1 9306619 GKLSAKOFKGUXHN-UHFFFAOYSA-N 445.318 7.300 30 40 IKEB CCCC/N=C(\C=C1/SN(CC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 9353422 OPWCBPGPXAQPKY-VCIOACDOSA-N 430.042 6.546 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@H]3c2ccc(Cl)cc2)cc1 10035299 XUAGXEOBLFQHEV-DWXRJYCRSA-N 447.987 7.008 30 40 IKEB COc1ccc(-c2c[n+](CC(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)c3n2CCCCC3)cc1 12656559 QPNKEIUKHMGPED-XRODADMRSA-N 439.620 5.182 30 40 IKEB biogenic C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1cccc(Cl)c1 13805720 LIROWGCGBPQLRG-MRXNPFEDSA-N 441.000 6.029 30 40 IKEB COCc1cc(C)nc(N/N=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1C#N 16267792 MRJYEMLNNMJFNB-YPXUMCKCSA-N 448.832 5.786 30 40 IKEB CCOc1ccc(CCNc2c(CC)c(C)c(C#N)c3nc4ccccc4n23)cc1OCC 32099704 JOEATSBOLPDWPM-UHFFFAOYSA-N 442.563 5.682 30 40 IKEB O=[N+]([O-])c1ccc(/C=N\Nc2cc(-c3ccccc3)c3cc(Br)ccc3n2)o1 33770006 PVDHHCYITVVQQC-UUYOSTAYSA-N 437.253 5.612 30 40 IKEB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 33831795 UKAIYBGRLWQHDQ-VLZFSBLWSA-N 440.712 7.348 30 40 IKEB biogenic,in-vitro CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(Oc2ccccc2)cc1 35111942 LVUSMLFVFAEDMA-VPUSJEBWSA-N 447.534 6.521 30 40 IKEB COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1OC 100870602 KJCBMTPITIADGL-XMCCLMIESA-N 432.564 5.741 30 40 IKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)cc1 101494693 GMYSLPDDFGUHLI-GOTSBPSXSA-N 429.545 5.156 30 40 IKEB O=C1c2ccccc2/C(=N\N=C\c2ccncc2)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 101908512 YJCVZBBPFJNCMB-OPGYFNSSSA-N 443.506 5.119 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118914945 WKXDFOKWTASGPK-NHWBLNHMSA-N 432.604 5.664 30 40 IKEB CCCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1CC 408637226 HVHDQKILHCHVIL-AWEZNQCLSA-N 445.658 5.065 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)S2)cc1 408956073 ZWMMOANKYITCRE-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409211461 NSRONVIKLDBNFG-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=C/C=C/c2ccccc2)cc1C(C)C 409277379 AWWAINGPWQMOBR-WLGRXAEDSA-N 437.543 6.051 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cc(Cl)cc2c1OCOC2 718334 ABUMMQZPAAXTEC-XMMPIXPASA-N 445.946 6.560 30 40 IKEB COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1 2096983 KNBMYWVAPSSGIJ-UUYOSTAYSA-N 436.847 5.193 30 40 IKEB biogenic N#Cc1c(NC(=O)CSc2ncnc3sccc23)oc(-c2ccco2)c1-c1ccco1 3305958 ORWHTYLDPAUTTC-UHFFFAOYSA-N 448.485 5.407 30 40 IKEB aggregator N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2 4650771 CPTZNPORQSWBKT-ALGWMNEGSA-N 428.598 5.525 30 40 IKEB N#CC1(C#N)[C@H](c2cccc(F)c2)[C@@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@@H]21 8448576 YBPJLLRZEYXKSF-SDHSZQHLSA-N 437.449 5.249 30 40 IKEB COCc1cc(C)nc(N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1C#N 8809807 MRYGXWYWVUFJPB-XODNFHPESA-N 443.938 5.511 30 40 IKEB Clc1cccc(-c2nc(-c3cccc(C#Cc4ccccc4)c3)[nH]c2-c2ccccc2)c1 12323305 DFMMYWZPHBMLMV-UHFFFAOYSA-N 430.938 7.464 30 40 IKEB CCc1ccc(OCc2nnc(Sc3ncccc3C#N)n2[C@@H](C)c2ccccc2)cc1 12749584 ZLBDBWDRDPLGIC-SFHVURJKSA-N 441.560 5.447 30 40 IKEB OC1(CC#CCN(Cc2ccccc2)Cc2ccccc2)c2ccccc2-c2ccccc21 13809838 MYKFOZGWZSCYOS-UHFFFAOYSA-N 429.563 5.999 30 40 IKEB CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 17094589 VAEBNLXOLHJRLA-MRXNPFEDSA-N 425.623 5.460 30 40 IKEB N#Cc1c(Cl)nc(Cl)c(Cl)c1N(Cc1ccccc1)Cc1ccccc1Cl 19831053 WQAQALIZGBRQGF-UHFFFAOYSA-N 437.157 6.774 30 40 IKEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 20507154 KHTWMFGHUATBSM-ZDXQCDESSA-N 425.488 5.297 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1cccc(Cl)c1Cl 27015891 NLZKYLLDXPJXAY-DAFNUICNSA-N 432.376 6.209 30 40 IKEB Cc1ccc(/N=C(\c2ccccc2)[C@H]2SC(=N)N(c3ccccc3)[C@H]2c2ccccc2)cc1 34868429 BJWFNANIWVLDLW-XEBRLWDQSA-N 447.607 7.414 30 40 IKEB C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)c1ccccc1 35132567 WALTWSNQERMSHD-UHFFFAOYSA-N 429.545 5.480 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1cccc(C)c1 59104089 XDXBQOFZMINSAR-INCSMEFSSA-N 436.577 5.233 30 40 IKEB N#Cc1c(/N=C/c2ccc(Br)cc2)oc(-c2ccccc2)c1-c1ccccc1 59503476 OHXNAQFPSSXJRY-JVWAILMASA-N 427.301 6.998 30 40 IKEB O=C1/C(=N\Nc2ccc(F)cc2)C(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 101932090 KMEYMSQDMVWWCJ-SLMZUGIISA-N 441.491 5.168 30 40 IKEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937081 NWNOBPOOVHXJPR-UHFFFAOYSA-N 435.170 5.446 30 40 IKEB CC/N=C1\S/C(=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)C(=O)N1CC 408856708 LEOJAPDLEXLUJG-KHHYFDFNSA-N 434.536 5.870 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408873825 XEHFUEMNQQYANE-JADYIYTDSA-N 437.521 5.483 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1ccccc1 408907417 NJAYDHDPCPUUKW-AKZSFNAJSA-N 439.540 5.954 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1OC 408910236 JBBNSPAKXJXAPI-OQNHBUHUSA-N 438.593 6.115 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)C1=O 409070443 XPHLCAMJRFPXBF-DEDYPNTBSA-N 443.952 5.848 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c2C#N)C1 409084808 QODRBJVCZVIEKG-HDFIIFABSA-N 432.545 6.480 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 409096052 FHUOTDJRWWFLLE-XQNSMLJCSA-N 449.572 5.924 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409100158 QGGVYOOXNGMSBN-WOJGMQOQSA-N 433.888 5.289 30 40 IKEB Cc1cc(OCc2ccccc2)ccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242701 HDSSZOVTZZSWCL-UHFFFAOYSA-N 444.293 6.225 30 40 IKEB C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(=O)c1ccc(F)cc1 1452065 MNCSPLBOERUDLK-UHFFFAOYSA-N 448.523 5.014 30 40 IKEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1 6474991 SPICJYJHSFWNHN-VABKMULXSA-N 441.943 5.686 30 40 IKEB COc1ccc(-c2cc(C3CC3)nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C#N)cc1 8767086 HFTMMGFZYCKVFI-UHFFFAOYSA-N 448.460 5.474 30 40 IKEB COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S1 8821221 KSNPOQCJJPGWHL-WOJGMQOQSA-N 445.327 6.154 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O 9379899 XUIROGDAGSHYTR-MNWLEOAJSA-N 439.581 5.037 30 40 IKEB Cc1csc([C@@H](C#N)C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)n1 9595462 HPFKLZPGAIXPGU-LBPRGKRZSA-N 439.012 5.050 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccccc3OCc3ccccc3Cl)n2)cc1 11992262 KEXCLGNPAOORSH-VULFUBBASA-N 433.964 6.797 30 40 IKEB O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 13551152 DMZXBOSPPFZBPO-KACMKLLYSA-N 438.888 5.280 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1 19799461 WJGIWTPPFQCWIF-VWLOTQADSA-N 431.532 5.185 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 20647816 BVRMDAIBQYJEHH-XKZIYDEJSA-N 448.390 6.717 30 40 IKEB CCCCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 53319294 LPMSBAODQYLMBV-UHFFFAOYSA-N 433.646 7.458 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@H]2CC[C@@]2(C)[C@@H](OCc4ccccc4)CC[C@H]32)C1 253617525 TUEREPUZRGDETH-LTWCPPSOSA-N 436.592 5.645 30 40 IKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408853726 XANBYLILRNBMMA-KSEXSDGBSA-N 431.717 5.959 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCC#N 409273743 SBEJJDZBHWNSSQ-AUEPDCJTSA-N 433.320 5.474 30 40 IKEB COc1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)cc(OC)c1OC 2424433 QJBLREXFHTZXMP-FBHDLOMBSA-N 436.435 5.047 30 40 IKEB C(=N/N(CCCCN(/N=C/c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1 4946217 LAFVXUWSZCDPIQ-YESHOFFLSA-N 446.598 6.848 30 40 IKEB CN(C)c1ccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1 9129367 QXJIZEDAZFEIDY-OAQYLSRUSA-N 442.559 5.121 30 40 IKEB biogenic COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3/C=C/c2ccccc2)cc1 10035376 LFSSYFWGTHSGLA-YBVOJRRTSA-N 447.538 6.126 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18199725 VLYFPWGBPONZCI-MHECFPHRSA-N 438.556 5.595 30 40 IKEB CCOc1cc(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc(Cl)c1O 35189689 ZSUHLNNMMGSEKE-FISMNSNESA-N 430.707 5.466 30 40 IKEB O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)s1 57434719 XFRMKSHAOIFRSJ-ZDLGFXPLSA-N 447.368 6.319 30 40 IKEB CCCCCCCCSCCSCCSCCSCCCCCCCC 100925693 ZRCWMRCELMQJMO-UHFFFAOYSA-N 438.878 8.640 30 40 IKEB Cc1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)c(Br)c1 101736536 SKBCPUQGFCYFRK-IWIPYMOSSA-N 425.326 5.605 30 40 IKEB CCCCCCCCNCc1cc(Br)ccc1OCc1ccccc1Cl 102561968 OOUWOGDYPCSCKW-UHFFFAOYSA-N 438.837 7.132 30 40 IKEB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](c2ccccc2)C3)C1 102642284 BDGUZVIBYQBJJB-YSIASYRMSA-N 434.561 5.278 30 40 IKEB COc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1Br 408737625 FDAXRMIBPCTSTC-PXNMLYILSA-N 437.746 5.311 30 40 IKEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccc(Br)cc1 408741228 KSEZIDVSOIKMIK-ZSOIEALJSA-N 438.144 5.103 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)Nc1ccc(F)cc1 408803850 UAZDIXMTIFDNIV-MIXAMLLLSA-N 440.474 6.386 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409212250 OZLDTXMSODDMMM-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2F)S/C1=N/c1ccc(OC)cc1 409235200 ARSKBIRBYJQJML-LRXZINBSSA-N 425.529 5.058 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OC(C)C 1531277927 HFHZZHNTDPUIMY-GMJSKMFWSA-N 442.357 5.342 30 40 IKEB COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 709525 GCVGKBWXCHEOJV-DNOBIOAJSA-N 426.516 5.683 30 40 IKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 1921023 CDWPOWHDLIHUGE-YSURURNPSA-N 442.258 6.474 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(-c2ccccc2)cc1 2255636 DWOIAUIMPXLSLC-SSEXGKCCSA-N 429.563 7.816 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3c(F)cccc3Cl)c2C#N)C1 2736818 PDUHGYQQRGTWGW-PLSXKVAHSA-N 430.976 6.605 30 40 IKEB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)c(N)c12 2791568 IBQPVUIIWFQMDK-UHFFFAOYSA-N 441.303 5.154 30 40 IKEB N#C[C@@H]1CC(c2ccc(Br)cc2)=NN1c1c(F)c(F)c(Cl)c(F)c1F 8436871 YAKPJLAZXNJRPL-VIFPVBQESA-N 432.602 5.165 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nnc1-c1ccncc1 9192504 IPYARAGDSRHVSO-UHFFFAOYSA-N 447.539 5.048 30 40 IKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc2ccccc12 9307444 BHEXROACNNWJNJ-UHFFFAOYSA-N 444.560 5.236 30 40 IKEB C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1ccc(F)cc1 14395435 MGWIJIHMDOPRSD-UHFFFAOYSA-N 434.334 5.237 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1 20149625 NNBDHSAJFZCAHM-XMMPIXPASA-N 446.547 5.086 30 40 IKEB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 33970417 IWNCBADONFSAAW-NFVQQQKOSA-N 428.701 7.204 30 40 IKEB endogenous,in-man N#Cc1cccc(Oc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)c1C#N 35140544 JWWOETDAQBXUNH-UHFFFAOYSA-N 430.463 6.169 30 40 IKEB CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 36611487 HIOQHIZYNSATGO-WSDLNYQXSA-N 428.901 5.358 30 40 IKEB Cc1ccc2c(c1)/C(=N\c1ccc(Cl)cc1)C(=O)N2Cc1c(Cl)cccc1Cl 100144038 LMCYOHSWEIALPE-YYADALCUSA-N 429.734 6.623 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(C)cc1 408561966 MDLIGCGSNRAULA-UHFFFAOYSA-N 428.561 5.247 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 408844926 JCUALCWFQCFLGI-ZVMHVJJHSA-N 445.415 7.176 30 40 IKEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408937339 IVNVCLSILDDIQC-LHHJGKSTSA-N 426.683 5.551 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)S2)cc1 408968118 ZNKJXSQAFAPWND-PCLIKHOPSA-N 437.568 6.447 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1ccc(F)cc1 408980897 UBTBRSXQKOYCOY-UHFFFAOYSA-N 439.490 5.905 30 40 IKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2OC)OC1=O 409006178 YKHRFPXGMZQLNJ-HKWRFOASSA-N 427.928 6.042 30 40 IKEB CCCCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)SC1=Nc1ccccc1 409010732 DHTKBSNFHDQQQG-VIBWIADVSA-N 443.012 6.921 30 40 IKEB C=C(C)[C@H]1C[C@H](c2cccc(C)c2)[C@H](C)O[C@@H]1c1c(OCC(=O)O)cc(C)c(Cl)c1C 2037874845 DBKIHLSGNAFAKH-PTNLABRWSA-N 442.983 6.555 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 974029 CAUZOPUGFBYSMU-WOJGMQOQSA-N 425.853 5.400 30 40 IKEB CCOc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2cccc(Cl)c2)cc1 2280080 OVPWZDQFPBJOOV-JCMHNJIXSA-N 435.932 6.216 30 40 IKEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@@H]21 3176817 VMZONVWPTOGZEA-SDHSZQHLSA-N 435.914 5.624 30 40 IKEB Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)c1 4083703 MNLZCVCLBDWVQU-SLJQUXCSSA-N 443.597 6.482 30 40 IKEB CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)cc1 9562915 KFHCYBSBVMZNGB-UHFFFAOYSA-O 439.604 6.476 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 13129538 RLLWBRBNESUGLF-ZRDIBKRKSA-N 448.478 5.953 30 40 IKEB Cc1cc(/N=C\[C@@H](C#N)c2ccc(/C(C#N)=N\c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O 18210009 ICDYXACODOPILD-VRPNZLASSA-N 448.530 6.421 30 40 IKEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccc(Cl)cc3)S2(=O)=O)cc1 20558776 LYIWTAALJKVTCE-HYARGMPZSA-N 438.936 5.135 30 40 IKEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(Cl)cc1Cl 35647458 BWLRQBLVNIUWAW-VGOFMYFVSA-N 428.138 5.648 30 40 IKEB CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 36611402 NODUABXAUIRUAN-FSJBWODESA-N 442.928 5.666 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc2c1 38180004 NXJAAWPUFVZTBA-NXYZXBHKSA-N 449.348 7.227 30 40 IKEB CCCCCOc1ccccc1CN1C(=O)/C(=N\Nc2ccc(Cl)cc2)c2ccccc21 46085125 MRBLSZCDOKDXPU-GNVQSUKOSA-N 447.966 6.272 30 40 IKEB COc1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C 100286490 BAQGGTWHWFIMHJ-YCJCGMCGSA-N 428.557 5.676 30 40 IKEB N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2 100926210 CPTZNPORQSWBKT-AFMUBRCDSA-N 428.598 5.525 30 40 IKEB CCCCCCCCCOC(=O)c1c(N)n(CCCOCC)c2nc3ccccc3nc12 102818024 KNQUGLFZBOQCHP-UHFFFAOYSA-N 440.588 5.501 30 40 IKEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224945877 PPINPKGYQRMOIX-UHFFFAOYSA-N 426.365 5.696 30 40 IKEB Cn1c(N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)nc2ccccc21 408662394 RLMLVMWVGVEBNB-DHRITJCHSA-N 425.319 5.905 30 40 IKEB C=CCOc1c(CC=C)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC 408757601 ATGWMWRRNOLZFJ-JWGURIENSA-N 434.561 5.443 30 40 IKEB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2OCC#N)C1=O 408805497 KTPHKVGPVFQCBO-BCLRBPHWSA-N 432.569 5.643 30 40 IKEB CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OC(C)C 408900681 ZPLUROPWGULFMR-UHFFFAOYSA-N 430.928 5.654 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 408951318 IRHLKKUNJVMUHA-BUVRLJJBSA-N 445.588 6.001 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409203927 ZCYBAHJCTWBHPB-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 409217097 RNHTXEOSXKMHEP-LGJNPRDNSA-N 444.314 6.420 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OC(C)C 409314781 HFHZZHNTDPUIMY-OAHLLOKOSA-N 442.357 5.342 30 40 IKEB C=CCn1c(SCC(=O)c2cc3ccccc3o2)nnc1-c1ccc(C(C)(C)C)cc1 3284668 QXIYNKUKQCWMMJ-UHFFFAOYSA-N 431.561 6.150 30 40 IKEB CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4349873 BCHULALFBLLPAM-RUZDIDTESA-N 428.576 5.800 30 40 IKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N[C@H](C)c2ccccc2)cc1 9308085 VDOMZKUFTRTACE-OAQYLSRUSA-N 430.555 6.740 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc(F)c2)cc1 9357959 CTGSYTYMMWJPPE-OAQYLSRUSA-N 444.487 5.527 30 40 IKEB N#C/C(=N/Nc1ccc(Br)cc1)c1nc(-c2ccc3ccccc3c2)cs1 9428198 XZPYWJWCOKJINJ-XHPQRKPJSA-N 433.334 6.066 30 40 IKEB O=c1[nH]c2ccccc2cc1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 11617458 BXODHCGWTZBGSM-VULFUBBASA-N 425.879 5.238 30 40 IKEB c1ccc([C@@H]2C/C(=N/N=C3\C[C@@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 13424708 YRRHIUDRTJZIPK-CJZYEQPJSA-N 444.534 6.928 30 40 IKEB COc1cccc([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c1OC 13567793 KLYMENMPORLGTF-INIZCTEOSA-N 439.939 5.521 30 40 IKEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCC(Cc3ccccc3)CC2)n1 19820566 WGOITVQOKPYANV-UHFFFAOYSA-N 434.996 5.850 30 40 IKEB C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1Cl 22109434 SFFRKNZZMKEFCL-BZZOAKBMSA-N 435.936 6.134 30 40 IKEB Cc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1NC(=O)c1cc2ccccc2o1 32114685 MGCITRQBIBVIPF-RPPGKUMJSA-N 439.298 6.757 30 40 IKEB Cc1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c(Br)c1 35288725 OXIDFWCYCRERDP-UHFFFAOYSA-N 440.366 5.525 30 40 IKEB CC(C)(C)c1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCCC2)cc1 35672482 KJYSNBRBXWHGOF-HSZRJFAPSA-N 429.568 5.545 30 40 IKEB COc1cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)ccc1OCc1ccccc1 95108952 CKQVCJRJNJCLRG-JVWAILMASA-N 443.572 6.516 30 40 IKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1C(=O)O 96860836 DOAYMSNAJIYSMX-GATIEOLUSA-N 446.385 5.165 30 40 IKEB CCCCCCCCOc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 97980751 BQHOXFYKSAMEHS-RAHOFXTKSA-N 440.587 7.132 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)S/C1=N\c1ccccc1 223498986 MZGRQHQDTHPBJA-KKOPTWAASA-N 445.632 6.641 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OCC 408533209 XPYHMFKCFUZETC-PDGQHHTCSA-N 449.359 5.849 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(C)c1 408563687 WPLPLUMPSPOJCA-UHFFFAOYSA-N 428.561 5.247 30 40 IKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c(C)c1 408780556 DNWFFFAVROZONP-CFRMEGHHSA-N 442.344 6.375 30 40 IKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccc(N(C)C)cc1 408953022 NYIOZXNDSZHHPD-CMEWOCMCSA-N 446.576 5.176 30 40 IKEB CCOC(=O)c1c(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)sc2c1CCCC2 409063174 IAXIDGNJSLTLNL-WGARJPEWSA-N 440.996 6.615 30 40 IKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409104686 HKJVSQGFFXNBEL-NDZAJKAJSA-N 444.619 6.522 30 40 IKEB C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(F)cc3)c2c1=O 706780 RIDKIQWFYZUIMD-UHFFFAOYSA-N 427.526 5.347 30 40 IKEB CN(C(=O)CSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N)c1ccccc1 999249 RVURBWHWYDWEJL-UHFFFAOYSA-N 425.513 5.635 30 40 IKEB CCCCn1c(/N=C/c2ccc(C(=O)O)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 2575409 OPWLVZXVQZNLKG-AJBULDERSA-N 447.538 6.943 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1 4065379 ONKPPTZEDGZSFY-QDJRPKQISA-N 435.618 6.302 30 40 IKEB COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)c(OC)c3)[C@H](c3ccccc3)C2)cc1 8431174 KYNOUCMSUPMWLO-ZEQRLZLVSA-N 427.504 5.128 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 8857938 HBLGLZQWEYAKKR-QFIPXVFZSA-N 448.906 5.307 30 40 IKEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 12570100 FFSJYUNNNCMVSR-VULFUBBASA-N 432.782 7.119 30 40 IKEB CCOc1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2CC)cc1 13306324 BEYKCGNJBYZSGH-BEIQUOEZSA-N 441.578 5.088 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1cc(Cl)cc(Cl)c1 13567951 RWBSQZRGECRCOK-INIZCTEOSA-N 430.287 5.250 30 40 IKEB CCn1c(C)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 14134486 PQUIWBZOAHSVNP-ZCTHSVRISA-N 429.523 7.519 30 40 IKEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Oc3ccccc3)cc2)cc1 15979651 DIZBDXWPJIBTTP-XDHOZWIPSA-N 435.545 5.406 30 40 IKEB COc1ccc(OC(=O)N2C/C(=C/c3ccccc3)C(=O)/C(=C\c3ccccc3)C2)cc1 16953469 RTUXBVLRCHGASV-IDUDEYGOSA-N 425.484 5.246 30 40 IKEB Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c(C)c1 20357021 GVRGFCVKOQVXOF-HHHXNRCGSA-N 441.531 5.515 30 40 IKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33918884 XBAIZKHLPRQVJL-WQRHYEAKSA-N 425.853 5.400 30 40 IKEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)Nc3ccccc3C(F)(F)F)nc2c1 35291512 JLUDUMUYAHVAMX-UHFFFAOYSA-N 441.457 5.366 30 40 IKEB C=CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 100060906 GCSOGIKNJZEHLY-ZEHKLFRWSA-N 441.600 6.764 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn23)c(Cl)cc1Cl 103756939 GNMIPJKISWRCRN-GZIVZEMBSA-N 435.654 6.213 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)nc2ccccc21 408692865 XFNJMWJEBNRRDV-DHRITJCHSA-N 426.351 6.217 30 40 IKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1F 408707495 NOLLJLVEEUMSFZ-UHFFFAOYSA-N 429.374 5.564 30 40 IKEB Oc1nc(N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2ccccc12 408733482 YEMPDCWEZPGATN-BRJLIKDPSA-N 439.302 5.667 30 40 IKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1cccc2ccccc12 408735238 MRXLZDBCUCWKAD-PKAZHMFMSA-N 438.548 7.147 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC 408764936 UIFICAFMQIZKMN-ZHZULCJRSA-N 442.968 5.758 30 40 IKEB C=CCOc1cc(Br)c(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OCC 409092421 XXYPZLKZJZEDHN-YSURURNPSA-N 444.251 5.272 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 409215744 DYDDOXJXBVGMEL-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCN(CC)c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(OC)c1 409237935 KJSXFUYGQQQXIM-UDWIEESQSA-N 429.973 5.395 30 40 IKEB CCOc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 409298897 QAMAZZHZLWOVRV-UHFFFAOYSA-N 437.421 5.363 30 40 IKEB CCN(CC)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409376759 CUEIRWQWWBPTKP-MTDXEUNCSA-N 429.564 5.918 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1C 1062543 ZIHYHGNKBOMRCV-QGMBQPNBSA-N 430.083 5.127 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1cccc(Br)c1 1441358 SNPWNIQIXNDINI-NRFANRHFSA-N 433.349 6.198 30 40 IKEB COc1cc(/C=N/n2cnnc2SCc2ccc(C)cc2)ccc1OCc1ccccc1 1914468 DAHBYLZGIOAQND-JFLMPSFJSA-N 444.560 5.349 30 40 IKEB CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 2801645 HELZYYZRTNHBFB-JTQLQIEISA-N 436.027 5.247 30 40 IKEB CCc1ccc2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3O)nc2c1 3032394 HTOIHDNUQHVOHQ-FOKLQQMPSA-N 448.391 5.035 30 40 IKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc([C@@H](C)CC)cc2)CC1=O 4910496 JFCBJJQXBQGVQF-RBBKRZOGSA-N 431.580 5.521 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1O 8782687 ILJZTQJFNMSQKP-PSYZWBJOSA-N 432.501 5.218 30 40 IKEB biogenic,in-vitro CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 9234353 ZCMMOHVFOJDQGY-YDZHTSKRSA-N 428.513 5.735 30 40 IKEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O 9311705 KCZZJOSFEXUPKS-JLPGSUDCSA-N 443.524 5.487 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N/Nc3nc4ccccc4s3)c2)cc1C 15018611 NHCPPJWOIKBRJX-AFUMVMLFSA-N 430.533 5.377 30 40 IKEB CC1=CC(=O)[C@H](C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)[C@@H]1C(=O)Nc1ccccc1 15081088 OJPIWRXLXMPYGY-CYXNTTPDSA-N 438.527 5.117 30 40 IKEB C=CCn1s/c(=N\C(=N\c2ccccc2)c2ccccc2)n(Cc2ccccc2)c1=S 16890326 FOVOXINAXRBTJL-YZYVWJRPSA-N 442.613 5.994 30 40 IKEB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1Cl 17100989 KQPHNWHORPJHBX-DNGMOHDESA-N 436.964 6.618 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccs1)c1c([nH]n(-c3ccccc3)c1=O)N2 18196871 SQACQJKZINATSO-QKKBWIMNSA-N 445.569 5.247 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cccc(Br)c1 19804929 NTAHEAFMDPYKQC-CTNGQTDRSA-N 434.333 5.491 30 40 IKEB CC(C)CN(CC(C)C)S(=O)(=O)c1cc(/N=C/c2ccco2)ccc1N1CCCCC1 59489815 BKDBNSAWNLHHRX-PCLIKHOPSA-N 445.629 5.323 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 102535858 LHBNCNIDBBNVIY-MRJHHRETSA-N 448.862 5.183 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 102859688 UWMZZDQZVQILKT-MRJHHRETSA-N 448.862 5.183 30 40 IKEB CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12 104396194 WHLBCNRCXJZXMF-MLBCHFTJSA-N 428.610 5.320 30 40 IKEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 408530330 KFZMMUARXLCUKX-JCMHNJIXSA-N 444.512 5.080 30 40 IKEB COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCC(C)C 408739577 XZFQJUDCOIFCIM-JAIQZWGSSA-N 430.957 5.583 30 40 IKEB Cc1cccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)cc2Br)c1 408748885 CNNRAYIPHWFXGN-KSEXSDGBSA-N 441.285 5.086 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C\c2ccc(N3CCCCC3)o2)sc2c1CCCC2 408847711 OETZHMQLXUZJPQ-QQXSKIMKSA-N 437.565 5.484 30 40 IKEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 408871051 VPCAMRHKUJRRML-HYARGMPZSA-N 447.918 6.094 30 40 IKEB CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC 408920951 MCCSIIQZHBIRSA-UHFFFAOYSA-N 429.944 5.181 30 40 IKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl 408934343 AGKOMRFSYHGEMD-BACCJKGJSA-N 440.974 7.482 30 40 IKEB Cc1cc(C)cc(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2C)c1 408959799 GBRWBJOIFKJPQZ-ZYITZIQLSA-N 430.577 5.394 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c1C 408962693 ZZXYBFFWLIJPPJ-IWIPYMOSSA-N 443.616 6.473 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccccc1F 409115277 LJNAQNWJYKZFHB-UHFFFAOYSA-N 425.931 6.716 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 409210456 ITUDQRZHAZTROC-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386804 SBMLPMPWEZKUDH-DICXZTSXSA-N 428.557 6.636 30 40 IKEB Cc1ccc2oc(-c3cccc(/N=C/c4ccc(I)cc4)c3)nc2c1 3099329 BOQHSGCDXSGPDT-YDZHTSKRSA-N 438.268 6.158 30 40 IKEB CC[C@H](/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC)cc1)C1CCCCC1 4265976 LTJAWEGODMRXLB-XUKXGFMLSA-N 440.500 5.934 30 40 IKEB COc1ccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)c2C#N)CCCC3)cc1 9422874 PSQSOJLGCKRUFN-UHFFFAOYSA-N 449.498 5.370 30 40 IKEB O=C(/C=C/c1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)o1)c1ccc(Cl)cc1 16158883 BZQNNUYVMDNVBR-FNORWQNLSA-N 445.651 7.822 30 40 IKEB O=C(/C=C/c1ccc2nccnc2c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 32912323 OXGYPQSHKDDGJO-YRNVUSSQSA-N 437.886 5.688 30 40 IKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3O)nc2-c2ccc(Cl)cc2)cc1 59463737 WJLKLGMXNAGEFQ-ZMOGYAJESA-N 435.892 6.495 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OC)S/C1=N/c1ccc(OC)cc1 97466890 UJUOMSBOBXQIEM-HLTANSAUSA-N 439.581 5.174 30 40 IKEB CCOc1cc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc(Cl)c1O 101512731 ZSUHLNNMMGSEKE-VVAXDPKNSA-N 430.707 5.466 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OC(=O)c2ccccc2Br)cc1 103583305 OIGMGGFEPVJKJE-XMHGGMMESA-N 448.272 5.013 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1OCC 104348827 DAKUWECMAUHDSK-WEMUOSSPSA-N 447.733 7.365 30 40 IKEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1OC 106721690 MGVREIHQRGCUET-ODLFYWEKSA-N 448.327 5.251 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 214045054 WKSKXOPNPVVYNV-LDADJPATSA-N 430.323 5.250 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3F)N(C3CCCCC3)C1=O)OCO2 408862765 IWQOJMFGAZSGOJ-WYSGOQDYSA-N 438.524 5.800 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c(C)c1 408974355 YFPADCGDWHIOHZ-WPWMEQJKSA-N 432.589 6.727 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c2C#N)C1 409084527 MGGRXIDZBMSUFE-WBILBPDKSA-N 432.549 6.220 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409218038 SGXDZEPAPFTUJS-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c2ccccc2cc2ccccc12 409293410 ICMBJUWHFOOFTJ-UHFFFAOYSA-N 431.539 6.633 30 40 IKEB CC(=O)Oc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405339 UBGJJODYHBVONJ-UHFFFAOYSA-N 433.467 5.024 30 40 IKEB CCCO[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)c1ccccc1)C(F)(F)F 670420944 DBUAPPJYRIGNCY-NWDGAFQWSA-N 430.238 5.362 30 40 IKEB COc1cccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1OC 2431557 XZSUCGBZQMNCIV-YVNNLAQVSA-N 440.854 5.692 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 2446887 PVAZXYCXSBZOCE-UHFFFAOYSA-N 426.973 5.441 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O 3035847 DJNZEVGQICJWKW-DHRITJCHSA-N 431.448 5.875 30 40 IKEB O=C(C1=CN[C@H](c2nc(-c3cccnc3)cs2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 8694235 ZUCDXCDTCAMUQB-GOTSBHOMSA-N 443.959 6.053 30 40 IKEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc(OC)c1OC 13564296 YSPGOAKYORYANZ-HSZRJFAPSA-N 444.531 5.461 30 40 IKEB CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C#N)nc3ccccc32)cc1 14360758 AGUMOCRCRHFJFB-UHFFFAOYSA-N 428.517 5.027 30 40 IKEB Cc1ccc(-c2nc3ccccc3s2)cc1/N=C/c1cc(Cc2ccccc2)ccc1O 16311762 ZNZUAZAAFRZZOD-RDRPBHBLSA-N 434.564 7.319 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@H]2c1ccc(F)cc1 16578009 KVMFIBFCXDEJNW-IBGZPJMESA-N 446.547 5.901 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3cccc(OCc4ccccc4Cl)c3)n2)cc1 16663037 FWKQHTOFPOTDMC-VULFUBBASA-N 433.964 6.797 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccc(Cl)cc1 20503273 SPHWAESSUMLAPL-RUZDIDTESA-N 447.922 5.552 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)c2ccccc21 20648521 FKXGRIWUNAQTNC-CVKSISIWSA-N 438.527 5.615 30 40 IKEB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N(CCC#N)c1ccccc1 21683166 OAIWNGQUWHMHFK-OAHLLOKOSA-N 426.592 5.091 30 40 IKEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 36611452 UWQGHWNIPWWCEW-FOKLQQMPSA-N 442.928 5.584 30 40 IKEB C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)cs/c1=N\c1cc(OC)cc(OC)c1 102939518 KEZGQDCUUJJHON-RQZHXJHFSA-N 445.588 6.060 30 40 IKEB CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 118917794 AHBKIEXBQNRDNL-DREJVZHVSA-N 448.603 5.744 30 40 IKEB CCCOc1c(Br)cc(/C=N\Nc2nc3ccccc3s2)cc1OCC 169890412 CQHCWECBVOKLFE-MTJSOVHGSA-N 434.359 5.692 30 40 IKEB C=CCOc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408562655 DVWGLZZNJAHDHH-SANMLTNESA-N 444.556 5.278 30 40 IKEB N#Cc1ccccc1CO/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408595766 NUZQNRSYMDWFBC-LQKURTRISA-N 437.455 5.749 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 408779034 PJDDKCPEYFHWLP-YVLHZVERSA-N 433.291 6.284 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)o2)cc1Cl 409002377 UECNZWNRUMYMAK-UNOMPAQXSA-N 438.892 5.278 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1Cl 409014836 QHJOSGYRMLNGQX-XTBHVRTMSA-N 435.376 6.371 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 409049614 XHBANNQHQTWDNQ-LICLKQGHSA-N 436.291 5.381 30 40 IKEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409095549 IHIYICYXIMGJMC-KOEQRZSOSA-N 433.533 5.642 30 40 IKEB FC(F)(F)c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 1453186 MKTZMRFGFVBMNQ-MZJWZYIUSA-N 434.845 6.206 30 40 IKEB CCCCCCCC(=O)NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1738075 JWFURPRJMADYPO-QINSGFPZSA-N 441.416 5.042 30 40 IKEB COc1ccc(/C=C/C(=O)C[C@@H](Nc2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)cc1 2344539 OOPCCSFNEKSCOU-OQSUYSBVSA-N 435.907 5.873 30 40 IKEB CCCCCCC(=O)/C=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 5706539 UGWXMECXTYMGSS-ZPHPHTNESA-N 428.572 7.397 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c(C)c1 8781002 IWXOANAZMTURTK-CIAFOILYSA-N 433.489 5.672 30 40 IKEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8820941 SVXXMWGEVKSHSY-HYARGMPZSA-N 430.916 6.645 30 40 IKEB COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 8888192 PVCQIYANENDXBU-NOBPMBFOSA-N 436.895 5.981 30 40 IKEB C[C@@H](Sc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N)c1ccccc1 9161335 WVUHYZSQFIYXGI-CQSZACIVSA-N 442.462 6.264 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccs2)cc1 9271189 FUJHIFBXSHDIEA-GOSISDBHSA-N 440.546 5.003 30 40 IKEB Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21 9422407 IFOHJDWFDSSZBI-FSJBWODESA-N 429.859 5.667 30 40 IKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1 9907678 CXFLXFSHLTVOFN-AFUMVMLFSA-N 436.533 5.266 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(C(=O)Cc1cccs1)c1ccccc1N2 12652129 WRUZWXKDTPBPFF-VWLOTQADSA-N 448.975 6.151 30 40 IKEB CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 16729262 PIVKPAZPWLJPCA-UHFFFAOYSA-N 432.442 6.469 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)c1c(O)n[nH]c1N2 18196406 QEYTXOORWHXMGP-QFYYESIMSA-N 432.332 5.442 30 40 IKEB CN(CCC#N)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 19418584 FPQKXCOKXWWYBU-UHFFFAOYSA-N 431.580 5.010 30 40 IKEB Cc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c(C(=O)Nc3ccccc3)cnn21 44858687 VBWCYYYQVWBYBQ-HSZRJFAPSA-N 426.520 5.102 30 40 IKEB C=CCc1cc(/C=N/c2ccc(Br)c(Cl)c2)cc(OC)c1OCC(=O)O 59679525 TUXNHMDTDZVWLA-LSHDLFTRSA-N 438.705 5.054 30 40 IKEB O=C1/C(=N/c2ccc(C(F)(F)F)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl 100406247 LKLFBKJCUBRIMA-VFCFBJKWSA-N 449.259 6.680 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 102804633 BIBJWBBIWYIXEY-YDJIHCHBSA-N 447.560 5.079 30 40 IKEB CCOc1cc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)ccc1O 408722060 CTAKWAPHHOMWHP-WGOQTCKBSA-N 430.529 6.341 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1cccc(Cl)c1 408758981 VXVIHVBAWOMJDT-JMIUGGIZSA-N 442.371 6.293 30 40 IKEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 408780534 CZAXQHFDEWYYGC-QRVIBDJDSA-N 444.316 5.766 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408884381 UHHVJWXDZIKZMG-GTVFRFDVSA-N 432.589 6.434 30 40 IKEB Cc1ccc(Cn2cc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)c3ccccc32)cc1 408900648 ZIVZWLYAPTVQCV-UHFFFAOYSA-N 437.539 6.126 30 40 IKEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)N1CC 408930567 YVROIEQWLKJDBR-YJECAWTJSA-N 444.984 5.630 30 40 IKEB CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br 408961280 MEXHFLOLAXZZAW-CPNJWEJPSA-N 444.398 5.495 30 40 IKEB Cc1ccc(-c2nc(N/N=C/C=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408975960 NZZHKYBJMWURSH-HKHMTEBVSA-N 440.528 6.805 30 40 IKEB CC(C)COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 409047380 OMDMOFJEPJQECQ-UHFFFAOYSA-N 448.390 6.071 30 40 IKEB C#CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br 409136162 TWWLZPLHZHMZFK-LDADJPATSA-N 434.355 5.078 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2c[nH]c3c(CC)cccc23)C1=O 409136830 VUVSZZBMUDNFOG-MOSHPQCFSA-N 448.544 5.283 30 40 IKEB N#CCc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cc1 409167465 MABJTHTVJFJWHY-GOZGONJHSA-N 433.555 6.301 30 40 IKEB C=CCOc1c(Br)cc(-c2nc(O)c3ccccc3n2)cc1Br 409263082 KDQOBPXHNBHGPO-UHFFFAOYSA-N 436.103 5.092 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC 409338133 DPKMHSDRONXQCJ-UNOMPAQXSA-N 431.966 5.709 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C2\CC(C)(C)CC3=C2[C@]2(O)CC(C)(C)C[C@](C)(C3)C2)cc1 707817 QAQUQGOMHJOOAE-AXHLRHTKSA-N 444.641 5.097 30 40 IKEB CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc(Br)cc32)=C(O)C1 1097787 KKGFFQSFDZJSEK-LJQANCHMSA-N 445.353 5.770 30 40 IKEB CC(C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1 3419632 MWBYKHRHSIVOPB-SFHVURJKSA-N 442.997 5.734 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1O 4150499 WMGOUFGXFSAWME-ZMOGYAJESA-N 439.855 5.355 30 40 IKEB N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2 4650770 CPTZNPORQSWBKT-XTCWOQMQSA-N 428.598 5.525 30 40 IKEB COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 8831587 BNINFUDQKOGOSA-AWEZNQCLSA-N 441.622 5.215 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 8854690 WJQZBUOPUBDDJG-NRFANRHFSA-N 437.417 5.797 30 40 IKEB N#Cc1ccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)cc1 9197750 LUDINXOJGLCDST-XODNFHPESA-N 433.342 5.992 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1 9254050 HXCRLDWOASRWCN-UHFFFAOYSA-N 431.908 5.196 30 40 IKEB N#Cc1cc2c(nc1SC/C=C/CSc1nc3c(cc1C#N)CCCC3)CCCC2 9371090 DLBYDFDYRBXKHX-AATRIKPKSA-N 432.618 5.418 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1O 9679141 CMOIZDCWKXZRLI-BHGWPJFGSA-N 433.420 5.190 30 40 IKEB C=CCSc1nc(Sc2ccc(Cl)cc2)c2sc3nc(C)cc(C)c3c2n1 12954153 FVIACXOQDVDYEP-UHFFFAOYSA-N 430.023 6.939 30 40 IKEB CCc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN32)cc1 13511070 RZTRFLOLDMIBQM-REUBFRLUSA-N 429.523 5.659 30 40 IKEB CCOc1ccc2c(c1)O[C@](c1ccc(C)cc1)(C(F)(F)F)N/C2=N\c1ccc(C)cc1 15906387 GMEVLFVWDPZVRC-XMMPIXPASA-N 440.465 6.178 30 40 IKEB CCN(CC)c1ccc(/N=C2/C(C)=Nn3c2nnc3-c2ccc(Cl)c(Cl)c2)cc1 16678494 REXHISMOPMUHDV-CLCOLTQESA-N 427.339 5.457 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)c2cc(OC)ccc21 28182792 MMZUPYWJHZJXHG-GWGZVGKXSA-N 446.547 5.366 30 40 IKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O 34112423 GAKVNINHIOJQFK-SCCOBJAPSA-N 442.477 6.410 30 40 IKEB N#Cc1ccc(CN(CC(=O)Nc2ccc(F)cc2Cl)Cc2cccc(F)c2)cc1 40158293 LHJHMHUWYODGKK-UHFFFAOYSA-N 425.866 5.131 30 40 IKEB O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1cc2ccccc2o1 102947578 JFXQORZHSVIAOP-DAFNUICNSA-N 432.277 5.040 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 408595169 VTLDMMCQQWSRFH-JFLMPSFJSA-N 446.890 6.531 30 40 IKEB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccnc3)c2-c2ccccc2)cc1 408743291 RXMGWHBURDEQRG-RUMWWMSVSA-N 443.550 7.356 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1 408758705 PNNMDHCCXOXICY-XKZIYDEJSA-N 435.980 6.202 30 40 IKEB Clc1ccc(Cn2cc(/C=N/N(c3ccccc3)c3ccccc3)c3ccccc32)cc1 408821463 HUOLWORMRHEODD-NDZAJKAJSA-N 435.958 7.515 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S/C1=N\c1ccccc1 408942353 XKVMQIDPMAQNMI-SIDNSYPESA-N 428.557 5.994 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)c2ccccc12 409059411 XDRRNVRQXYCBLK-MDIFQPDJSA-N 432.501 5.171 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccc(OCc2ccccc2F)c1 409094495 FHXOSOVXNCZMDC-RPPGKUMJSA-N 433.361 5.778 30 40 IKEB COC(=O)c1ccccc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 409099934 RXASNCQWYZKKKA-BHGWPJFGSA-N 433.342 5.106 30 40 IKEB C=CCOc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 409281071 LSKIPFZAYMKSLJ-UHFFFAOYSA-N 449.432 5.529 30 40 IKEB O=c1c2c3c(sc2ncn1/N=C/c1sc(Nc2ccccc2)nc1Cl)CCCC3 2660161 QVYIZGMLJAAMRS-AUEPDCJTSA-N 441.969 5.073 30 40 IKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(Cl)c1 3113733 ALFAYFQVVIAURL-KIBLKLHPSA-N 436.125 7.859 30 40 IKEB CCCC[C@@H](CC)Cn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc21 3169270 USCHVSWARHJZMV-QGZVFWFLSA-N 443.526 6.064 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)c1O 3662508 IPHLYMKBWLBDLN-NUGSKGIGSA-N 444.230 5.872 30 40 IKEB CCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 8448979 JSDGSNTXSVIKPM-UHFFFAOYSA-N 435.564 6.565 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 9008482 YURCHJWWJHELMJ-FQEVSTJZSA-N 448.475 5.428 30 40 IKEB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 12274891 BOODQQCFEODCTO-LICLKQGHSA-N 433.291 6.284 30 40 IKEB N#Cc1ccccc1CSCCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1 12784560 GNOXKSIUPGUOGS-UHFFFAOYSA-N 435.618 5.320 30 40 IKEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2 17180848 OWJNNMGFSZEVIL-CKUXNOBLSA-N 444.039 5.826 30 40 IKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccccc3Br)C2=C(O)C1 18118804 OWEFIUSTMCYYBI-LJQANCHMSA-N 434.333 6.227 30 40 IKEB C=CCNC(=S)c1c(-c2ccccc2)c2c3n(c(COc4ccccc4)nn13)CCCC2 26442080 YTBBPGBVUZIDMV-UHFFFAOYSA-N 442.588 5.169 30 40 IKEB CCCCOc1ccc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1 31854479 PTBDRGLQUZKDTB-XKZIYDEJSA-N 430.371 6.198 30 40 IKEB CCCCCCCCCCCC(=O)OC(C[N+]1(C)CCCCC1)C[N+]1(C)CCCCC1 100791796 GYDXTBOJTRKZCG-UHFFFAOYSA-N 438.741 6.080 30 40 IKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 225752785 GMOBLELBXUOXAQ-OAHLLOKOSA-N 431.363 6.493 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Br 408534569 VOHZIZDFFNPEIL-PDGQHHTCSA-N 429.339 5.214 30 40 IKEB C#CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OCC 408558712 SGBXCEOSAKDENL-UHFFFAOYSA-N 429.141 5.779 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408672499 NIEAWFKIXQABRJ-OTLGMJNYSA-N 438.612 6.082 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2C2CCCCC2)cc1 408912109 LSSZPSVRBYALEK-RVOSABIYSA-N 428.960 6.724 30 40 IKEB CN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccc2ccccc2c1 409019486 STNFPZCSGRHZJF-HOOGSHDOSA-N 435.508 6.205 30 40 IKEB CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)S/C1=N/c1ccccc1 409158188 NVOWQYOPFRMDOE-DBPHPPTCSA-N 438.892 5.532 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c1 409213743 QPEUDAORXWGLSK-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB Clc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c(Cl)c1 409214889 YIDDYZBUVNZHPO-WYMPLXKRSA-N 435.148 7.086 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(F)cc2)[C@H](C)O[C@@H]1c1cc(Cl)cc(OC)c1OCC(=O)O 2037875654 ZSOGZUFYFHUQEB-ASLVLFSISA-N 448.918 5.777 30 40 IKEB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 5925644 ICFXJOAKQGDRCT-ZIHMWMKCSA-N 428.701 7.204 30 40 IKEB biogenic,in-man N#Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 9635608 RBGSJPPYPYKLIH-UHFFFAOYSA-N 437.450 5.512 30 40 IKEB Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 9638240 IAUZUAMSUXQGME-RELWKKBWSA-N 425.556 5.107 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1F 12419568 MTGYFMCWKDFMQK-HYARGMPZSA-N 434.492 5.305 30 40 IKEB O=C(Nc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1)c1ccccc1 13477159 PVELPIYAELTEIF-WSDLNYQXSA-N 440.253 5.066 30 40 IKEB Clc1ccc(-c2nc(N/N=C/c3ccc(Br)cc3)c3ccccc3n2)cc1 13757033 KFLRDOVYKKZXMY-ZMOGYAJESA-N 437.728 6.159 30 40 IKEB Cc1cc(C)c(C2(C)CC(/C(=N\O)c3cc4cc(Br)ccc4o3)C2)c(C)c1 15230129 XDIXYDGTNAQYNS-YYDJUVGSSA-N 426.354 6.667 30 40 IKEB COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)c1 15945639 MWDKQSAFCGSWIO-DHRITJCHSA-N 440.952 5.910 30 40 IKEB CCCCOc1ccc(/N=C2\C(=O)N(CN3CCc4ccccc4C3)c3ccccc32)cc1 16639169 PZHSHECGOCXJSU-OHYPFYFLSA-N 439.559 5.349 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2ccc(I)cc2Cl)c1O 16688212 DVPJYDRACSTHCD-UFWORHAWSA-N 436.076 5.453 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3)sc2NC(=O)Cc2ccccc2)cc1 16753103 JBTXPTNPQQMLMY-YZSQISJMSA-N 426.545 5.746 30 40 IKEB COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O 106714362 LDCPFOAQXFUYRA-ACWMPWAISA-N 448.975 6.195 30 40 IKEB CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)OC1(C)C 203616758 CXISBLYYLDZQEL-UHFFFAOYSA-N 432.372 6.987 30 40 IKEB CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408739679 ZFWGLOXKVWTQQK-ZVHZXABRSA-N 425.326 5.784 30 40 IKEB Cc1c(/C=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c2ccccc2n1C 408815120 IJHRKCPPOUTLAB-UINIZAEWSA-N 435.637 6.424 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)cc(Cl)c1OC 408847324 UZGZZQFPGWFVOD-SFHVURJKSA-N 444.314 5.134 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Cl 408938614 LEVWEVSHASTCOE-DVHQXOFNSA-N 442.990 7.624 30 40 IKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409136976 VWGYOKCAMXNWBA-UHFFFAOYSA-N 446.547 6.476 30 40 IKEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1cccc2ccccc12 409146019 RLGLLLIWBZFXRT-TUXOLSEKSA-N 428.491 5.066 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1Br 409197365 CVPVQUZRFYIJCX-YBFXNURJSA-N 431.289 5.392 30 40 IKEB O=C(c1ccc(Br)cc1OC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575362668 VIVGWFKREGPISG-UHFFFAOYSA-N 437.027 5.363 30 40 IKEB C#CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2 2299615 LZBUZSQHBIYYIF-UHFFFAOYSA-N 442.584 5.391 30 40 IKEB biogenic S=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)NC12CC3CC(CC(C3)C1)C2 5048255 UREXYVWUIZJQRI-MUFRIFMGSA-N 437.612 6.351 30 40 IKEB COc1cc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3o2)cc(OC)c1OC 8437022 YFCXOURGOFDMKA-PDGQHHTCSA-N 433.435 5.416 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 9259665 KRPIAXGVVQOJKF-LDADJPATSA-N 432.530 5.507 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2ncnc3sccc23)n(C2CCCCC2)c1C 9866593 OTHBLQLWCRSKAI-UHFFFAOYSA-N 425.583 5.217 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)c([N+](=O)[O-])c1 12344389 KZGNBXVUOMMFGE-ZMOGYAJESA-N 431.408 5.009 30 40 IKEB COc1cc(OC)c([C@@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC 13567785 XNHMKGLIGXMGOB-SFHVURJKSA-N 449.547 5.185 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1Cl 14088295 FSEOEGCLSYZKMC-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB C=CC[C@H](c1cccc(Cl)c1)N(CCCN1CCOCC1)C(=O)Nc1ccccc1 19851490 HDXYEAZGUNXZCQ-HSZRJFAPSA-N 427.976 5.214 30 40 IKEB O=C1/C(=C/Nc2ccc(Cl)cc2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 20575849 OHZVITPVEMTJFD-WQRHYEAKSA-N 448.928 5.027 30 40 IKEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2ccccc2N1CCOc1ccccc1Cl 46084836 CFUQOMCUDIBCFA-QLYXXIJNSA-N 426.303 5.235 30 40 IKEB CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118918699 YSSYRCSUIQKJPD-DAOOESDTSA-N 444.700 7.651 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)S/C1=N\c1ccccc1 208444182 TXELPTIDTKVTDG-WOARFCOISA-N 431.605 6.332 30 40 IKEB CCn1c(N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)nc2ccccc21 408692028 BSKIBSWTZXUFKR-CVKSISIWSA-N 434.927 5.743 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)S2)cc1 408758844 SHCMNSKWKZLWHL-JLPGSUDCSA-N 429.589 6.111 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 408761168 BYJMYMKVEDURFR-XKZIYDEJSA-N 446.532 5.456 30 40 IKEB CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 408848577 RCHGOPPYJBSCDM-YUMHPJSZSA-N 435.593 5.747 30 40 IKEB C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1ccccc1C#N 408914619 RJSCPFXITTUSFK-UHFFFAOYSA-N 435.479 5.337 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N/c1ccc(Cl)cc1 409088170 FCJVDGQBTBBKSQ-BLAKXTKQSA-N 449.801 6.363 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 409199053 AWOABRPPUUNBQS-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB O=C(O)COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br 409199906 FOHUUHZFVWIXOY-YDZHTSKRSA-N 426.266 5.455 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br 409210909 LOYBUFTYSGUUHE-SRZZPIQSSA-N 425.164 6.368 30 40 IKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)n2c(nc3ccccc32)N1 1069482 TYTYIQVENKAGRT-QFIPXVFZSA-N 444.332 5.971 30 40 IKEB Cc1cc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)ccc1Cl 1792339 MYWPFKPWQPPEQP-UHFFFAOYSA-N 432.998 5.988 30 40 IKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCCC1 1822785 NRXSHTMQYCWAJB-VUTHXJGOSA-N 441.656 6.540 30 40 IKEB biogenic CCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccccc1Cl 8798216 CINJYHIQHFAGBX-MFKUBSTISA-N 439.968 5.638 30 40 IKEB Clc1ccc(/C=N\Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c(Cl)c1 8926460 MQQOXEFHDGIRMT-ZMFRSBBQSA-N 447.329 5.781 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O 8935080 MSVZVFYBFZUNLH-DHRITJCHSA-N 431.448 5.875 30 40 IKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cc2cccc(C)c2nc1O 9292715 AGCQTMJQYRCWGT-CCVNUDIWSA-N 434.503 5.238 30 40 IKEB CC(=O)Nc1ccc(/N=c2\c(CCC(C)C)c(C)c(C#N)c3[nH]c4ccccc4n23)cc1 102594432 GNXUCUUHPLMRJD-XLVZBRSZSA-N 425.536 5.380 30 40 IKEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 102860768 AMFJTEDWTWCDRX-NHFXJNLRSA-N 446.553 5.601 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Oc2ccccc2)cc1 104686629 LVUSMLFVFAEDMA-XNMGPUDCSA-N 447.534 6.521 30 40 IKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 225780374 AZEQAGOEMKHAJD-UHFFFAOYSA-N 447.362 5.587 30 40 IKEB CCOc1cc(/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)cc(Br)c1O 408563232 JXHREZPASMWLIC-UXBLZVDNSA-N 449.244 5.013 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CC 408908982 BGJXLACVGVVLAZ-LBMUFILHSA-N 447.516 6.041 30 40 IKEB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1Cc1ccco1 408917063 LSXORVRQPWTSDR-RINAVELBSA-N 439.880 5.645 30 40 IKEB COc1cc(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1O 408966039 MNAQATPBWFUMHG-AWNIVKPZSA-N 429.712 5.253 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(Br)cc1OC 408967613 WDRLTDJNYYSNAE-VCHYOVAHSA-N 447.354 5.056 30 40 IKEB CCOc1cc(/C=N/c2cc(C)nn2-c2ccccc2)ccc1OC(=O)c1ccccc1 409025714 ZLFKMCVQEURRHE-OVVQPSECSA-N 425.488 5.549 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1Br 409113563 HGWZVJDJEUJQIF-UHFFFAOYSA-N 425.164 6.005 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc2ccccc2c1/C=N/c1ccccc1 409199253 AQYLVYDUBYYJEY-RWPZCVJISA-N 436.389 7.310 30 40 IKEB CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1C(=O)O 409217269 OLHTWMPQFWOQDL-UHFFFAOYSA-N 438.520 5.184 30 40 IKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(I)cc3)cc2)cc1 409233134 QTNVYIIAUDJUSM-HMAPJEAMSA-N 429.326 6.501 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(C[C@@H]1CCCO1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O 902512 JBDPQRRMJBNPBM-KRWDZBQOSA-N 449.591 5.257 30 40 IKEB Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 1882778 FLTACQQLRBRVJI-VULFUBBASA-N 443.300 6.867 30 40 IKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C(F)(F)F)c1 2348173 DNYKXEIGTZGLEE-HFTWOUSFSA-N 445.554 7.294 30 40 IKEB N#Cc1cc2c(nc1SCC(=O)N(c1ccccc1)c1ccccc1)CCCCCC2 8414571 SUEZPXHGYMHXAZ-UHFFFAOYSA-N 427.573 6.069 30 40 IKEB CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1OC 13568494 APWHKHLFUGVKQB-LEWJYISDSA-N 433.548 5.222 30 40 IKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 16451070 QOZRVZAIUBCNLW-WOJGMQOQSA-N 425.853 5.400 30 40 IKEB COc1ccccc1-n1c(=S)ss/c1=N\C(=N\c1ccccc1)c1ccccc1 101973154 WZPNTZCQCFDFLM-PQBHCXAESA-N 435.599 6.018 30 40 IKEB COCC/N=c1/scc(-c2ccc(Cl)s2)n1/N=C/c1c(O)ccc2ccccc12 103458888 IOMSIJCDWJCHMS-ZZZRMYSXSA-N 443.981 5.220 30 40 IKEB CCCCCCCCCCCCCCOc1ccc(C(=S)N2CCOCC2)cc1OC 104140653 JLTPKERYUVTMEI-UHFFFAOYSA-N 449.701 6.783 30 40 IKEB C=CCOc1ccc(NC(=O)C(CC=C)(c2ccccc2)c2ccccc2)c2ccccc12 225935835 DJGXITRCPLFMDG-UHFFFAOYSA-N 433.551 6.906 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408906220 BBFGPCBQEYFCLJ-KEHMSQLFSA-N 429.501 5.960 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@H](C)CC)C1=O 408912530 NKORXHPDVSCOJW-USOSDDPLSA-N 428.985 6.450 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Br)c(O[C@H](C)CC)c(OCC)c2)C1=O 409070020 KJBRSGNPUDACGO-PILJQMSFSA-N 440.359 5.247 30 40 IKEB COc1cc(N2CCCC2)ccc1/C=C1/SC(=Nc2cccc(Cl)c2C)NC1=O 409242260 QFBHPHTVTRTFDC-UDWIEESQSA-N 427.957 5.149 30 40 IKEB CC1CCN(c2ccc(/C=C3/S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)o2)CC1 409275242 ZRZCLTDDCKLELO-OVEFUCHESA-N 449.620 6.453 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1cccs1)C2 717697 UZUXXFJQRCTHNQ-QMHKHESXSA-N 437.561 5.070 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 974030 CAUZOPUGFBYSMU-WQRHYEAKSA-N 425.853 5.400 30 40 IKEB O=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 1087124 NKXLXDMUXLHWPW-FOKLQQMPSA-N 439.295 5.390 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9070517 WOTSSRIGUXFNKR-ILBGXUMGSA-N 427.460 5.402 30 40 IKEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 9261470 AFXVEHLHXHVVBO-YOEHRIQHSA-N 444.988 5.318 30 40 IKEB C=CCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1C1CCCCC1 9492073 ZKCFLTBIRMLMFS-AWEZNQCLSA-N 429.615 5.280 30 40 IKEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC 12564546 NVVFSBTXPUHOMW-XMMPIXPASA-N 447.510 5.292 30 40 IKEB Oc1ccccc1/C=N/Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 13304448 ZCAMFPAAPBLIEH-MFKUBSTISA-N 445.320 5.725 30 40 IKEB C/C(=N\OCC(=O)N(Cc1ccccc1Cl)c1ccccc1C(=O)O)c1cccs1 13305445 ZPLYJBGPZKLEPY-BUVRLJJBSA-N 442.924 5.074 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc(/N=N/c3ccccc3)ccc2O)sc(C(C)=O)c1C 15930630 MZTNGDZVIGBGPT-ZXSYOUNQSA-N 435.505 6.307 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@@H]2c1ccc(F)cc1 16578006 KVMFIBFCXDEJNW-LJQANCHMSA-N 446.547 5.901 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccc([N+](=O)[O-])cc3)nn1[C@@H]2c1ccc(Cl)cc1 21658655 OFBJWBOXZRGQKN-HSZRJFAPSA-N 448.910 5.770 30 40 IKEB CCOc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCc1ccccc1 35352135 DVFRERMNILFVNZ-MUNQKHPHSA-N 436.558 5.539 30 40 IKEB COc1ccc2c(c1)c(C(=O)C1=Cc3cc(OC)c(OC)cc3CC(C)(C)N1C)c(C)n2C 62001464 KPWBDFHXNWVGMT-UHFFFAOYSA-N 448.563 5.003 30 40 IKEB biogenic CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)c1 89573828 ARHNADHKODIXKB-KRWDZBQOSA-N 444.512 5.096 30 40 IKEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)cnc1Cl 89589202 UAFPFQAAMAEANS-UHFFFAOYSA-N 443.688 5.117 30 40 IKEB CCN1c2cc(C)c(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2[C@H](C)CC1(C)C 260568090 NHNNEHIDLKDWHV-CFWUSGDISA-N 433.621 6.341 30 40 IKEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(/N=N\c4ccccc4)cc3)C2=O)cc1 408528413 BDSCSDSCOXLEBH-SSRKWXPQSA-N 425.448 5.012 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 408759804 MBESUVDMTQZYDI-JLPGSUDCSA-N 428.557 6.028 30 40 IKEB CCOc1ccc(Cl)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 408807434 CIOXJXMWHLDAEN-SANMLTNESA-N 431.963 7.201 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409212354 PFJUHDXKCHBYGN-AFUMVMLFSA-N 440.883 5.985 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409217515 WLUQKCKBMGXHSF-MFKUBSTISA-N 443.952 5.874 30 40 IKEB COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)c1 662176 MTCRJHFQANNJRZ-UHFFFAOYSA-N 444.343 5.666 30 40 IKEB CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC 709538 JQNXMVSIJFLSCI-MMTVBGGISA-N 440.543 6.073 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)c1ccc(Cl)cc1 712185 BCXFBXQODHZFSH-UHFFFAOYSA-N 438.883 6.329 30 40 IKEB N#Cc1c(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)sc2c1CCCC2 1329669 KTSSVKKEAYGSOI-UHFFFAOYSA-N 445.573 5.168 30 40 IKEB O=C(O)CSC1=N/C(=N/c2cccc(Cl)c2)C2(CCCCC2)N1c1ccccc1 2182026 HQVFQXPJCCONTP-HIXSDJFHSA-N 427.957 5.767 30 40 IKEB COc1ccccc1/C=C1\Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O 2426600 OQVRYBNZGNDUOL-JJFYIABZSA-N 427.283 6.197 30 40 IKEB COc1ccc(-c2nc(-c3ccccc3)nc(SCc3ccc(Cl)cc3)c2C#N)cc1 3041137 KPOIXYDYPZPZLO-UHFFFAOYSA-N 443.959 6.637 30 40 IKEB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)cc1 8448425 KNOAAJJUJOCXKS-UHFFFAOYSA-N 438.527 6.710 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1cccc([N+](=O)[O-])c1 8821197 FAKYWRJRXXXMGX-AUWJEWJLSA-N 427.791 5.159 30 40 IKEB N#CCCn1cc(C2=NN=C(Nc3ccc(Cl)cc3Cl)SC2)c2ccccc21 8824973 QBGCCKOZTJQMGK-UHFFFAOYSA-N 428.348 5.781 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1 8913921 PXAXTOAIXMWOIW-IBGZPJMESA-N 438.936 5.703 30 40 IKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C(C)C)cc1 9380537 STGLCLJCVUQQJK-FQEVSTJZSA-N 440.337 5.337 30 40 IKEB C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc(C)c(C)c2)S1(=O)=O 20063590 MTYVTLYFRKLSPL-UHFFFAOYSA-N 444.556 5.037 30 40 IKEB CC1(C)CCCN(c2nc(N3CCCCC3)c(C#N)c3c2CN(Cc2ccccc2)CC3)C1 20790018 GSKMJHBCJUZZCO-UHFFFAOYSA-N 443.639 5.128 30 40 IKEB CC(=O)Nc1ccccc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 32124932 OLBKTIFBAKVWOS-HNNXBMFYSA-N 441.622 5.460 30 40 IKEB O=C1N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H](N2CCCC2)C12CCCCC2 33435809 WOMTWXKWWUQOJQ-ISNHSLPUSA-N 445.651 5.815 30 40 IKEB COC(=O)c1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 59503594 BHJPBNHUFXYUNK-VULFUBBASA-N 449.915 6.311 30 40 IKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O 59566842 RYFUTQRQGGMDHC-XGICHPGQSA-N 444.683 5.152 30 40 IKEB CCCCCCCc1ccc(C(=O)OCC(=O)c2ccc(OCCCCCC)cc2)cc1 100520128 XFDQCDUCJAXNLB-UHFFFAOYSA-N 438.608 7.198 30 40 IKEB CCCCCCCCCCCc1nc(-c2ccc(-c3ccc(CCCCC)cc3)cc2)no1 100612012 COEYLZFTCOHIMN-UHFFFAOYSA-N 446.679 9.210 30 40 IKEB Clc1ccc(Sc2oc(/C=N\c3ccc4ccccc4c3)cc2Br)cc1 408806728 BCXQLEISXAMEIJ-CFRMEGHHSA-N 442.765 7.751 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 408911608 KJNOZFZSTXPSEC-FUQOYWQNSA-N 442.584 6.586 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)S/C1=N\c1ccccc1 408933990 KQKIOSCFVJIGTF-YVADOFBFSA-N 444.984 5.768 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 409293689 JEASHGITCWFRAW-UHFFFAOYSA-N 431.923 6.240 30 40 IKEB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)cc1 900642 BMVDLWCTPIDDEM-ZDUSSCGKSA-N 428.439 5.153 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c(OC)c1 2447386 QEQRJXQJVVELOU-APSNUPSMSA-N 442.846 5.268 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 3982476 FVWJYYTZTCVBKE-HFYSJIAGSA-N 442.728 6.997 30 40 IKEB CCOc1ccc2nc(NC(=O)CSc3nc4ccc(C)cc4cc3C#N)sc2c1 6134282 CYKPQNAMXSBAEE-UHFFFAOYSA-N 434.546 5.154 30 40 IKEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(Oc2ccccc2)cc1 8424834 ZHUTWQVIPWXUAC-DIQLGICBSA-N 445.569 6.083 30 40 IKEB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 8706373 WQIDKWJKTUGALS-NRFANRHFSA-N 445.321 5.739 30 40 IKEB N#CCSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1NC1CCCCC1 9223481 DIEBXXAYCIOMJN-UHFFFAOYSA-N 433.499 6.318 30 40 IKEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O 9476698 OFJJUNUHELSILW-LUTOAVKISA-N 444.483 5.421 30 40 IKEB COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 13476215 RJMBIMNAZZNGPD-WYMPLXKRSA-N 433.420 5.185 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(Cl)cc2)cc1 44859253 NOCIDEHBIOFWPP-JOCHJYFZSA-N 432.911 5.119 30 40 IKEB N#Cc1cccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1 46005337 GYGKPAFUNPZZTB-UHFFFAOYSA-N 435.512 5.152 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)cc1 97968993 UTUOAPGFLFOGNJ-JWGURIENSA-N 443.012 6.971 30 40 IKEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 102734622 IJKRRXXQVUBBKI-ZHHPLPSFSA-N 446.503 5.050 30 40 IKEB c1ccc(/N=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)\C2=N/c2ccccc2)cc1 102983278 TXPDBMSODBCQAQ-IUPFWZBJSA-N 444.648 7.517 30 40 IKEB N#Cc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 103594342 PSNPDLVLSPQRAJ-UHFFFAOYSA-N 433.192 5.379 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)SC1=Nc1ccccc1 260569337 POPFFTGKMYRTFP-AIMMPNMZSA-N 445.632 6.722 30 40 IKEB COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OC(=O)c1ccccc1 408889709 FZSVDFXPEZMZPW-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB Cn1cc(C2C3=C(CCCC3=O)N(Cc3ccccc3)C3=C2C(=O)CCC3)c2ccccc21 408899943 WPHDUVPDBLVUPG-UHFFFAOYSA-N 436.555 5.792 30 40 IKEB CC(C)(C)c1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(C(C)(C)C)c1O 408983817 CWNXEWFOYHDKJF-UYRXBGFRSA-N 443.012 6.532 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 409041653 AYAHXNYFBGJTBT-BHGWPJFGSA-N 435.694 6.885 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1cc(C)ccc1C 409120492 WHOYAADDQYRDKU-UHFFFAOYSA-N 425.164 6.005 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 409360149 LRGVCIVXGAIBAY-UHFFFAOYSA-N 445.013 5.282 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OC 1531254843 LOZVSGNCMWRTSL-LITAXMHPSA-N 448.748 5.217 30 40 IKEB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/N=C/c3ccc([N+](=O)[O-])s3)CC[C@@H]12 1889136301 BKFIBDWKIPCPQA-WSJLEDTPSA-N 441.597 5.755 30 40 IKEB Clc1ccc(/C=N\N2CCN(/N=C\c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 4990723 LDSOWJJTHNMJLW-CBSQCECLSA-N 430.166 5.286 30 40 IKEB C=CC/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C1CCCCCCC1 8385924 YFSUMVLXPNFICS-RSTPCFTMSA-N 434.005 5.268 30 40 IKEB COc1cccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)c1 8437054 XVPZVSNYEKASNZ-UYRXBGFRSA-N 445.471 5.286 30 40 IKEB C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1 8869654 XMADWHRVMGSSLZ-RUZDIDTESA-N 437.495 5.724 30 40 IKEB O=[N+]([O-])c1ccc2nc(-c3ccc(/N=C4\NCCCS4)cc3)cc(-c3ccccc3)c2c1 9130836 RQCKMMBUXRDLBK-UHFFFAOYSA-N 440.528 6.191 30 40 IKEB Cn1cc(/C=C2/Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 9422640 LCLAOJOKGFXBDV-BHGWPJFGSA-N 433.866 6.166 30 40 IKEB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 9913264 AOFWDFGORXNBEP-UHFFFAOYSA-N 444.969 5.152 30 40 IKEB CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(CCCC)cc3)cc2)cc1 16638408 PISITWOMBHPRRW-UQRQXUALSA-N 441.615 8.122 30 40 IKEB N#C[C@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C(=O)O)c1ccccc1 36656485 VMPUKTYEEWVQHV-NRFANRHFSA-N 428.538 6.532 30 40 IKEB CC(C)(C)c1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc(C(C)(C)C)c1O 59105990 BBPAJMVZCWXJKP-UYRXBGFRSA-N 426.557 6.018 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 223510877 UWUQGAZVPHEQAX-IIZUOHISSA-N 445.632 6.639 30 40 IKEB C#CCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OCC 409208412 BMAYCTMCTYZBMD-LPYMAVHISA-N 433.289 5.069 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Br)o2)C2=C1CC(C)(C)CC2=O 409215603 CDDNGNZESZLMSM-UHFFFAOYSA-N 446.385 5.748 30 40 IKEB CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N/c1ccc(OC)cc1 409243878 VTWUZZGAUBWTAP-RWBSCQHUSA-N 444.556 5.898 30 40 IKEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(C(C)C)c2ccccc12 409276293 PHMZYMOPHLGWCP-UHFFFAOYSA-N 437.341 5.194 30 40 IKEB CC[C@@H](C)Oc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1 409304753 KUNHNNASIZISIK-OAHLLOKOSA-N 442.357 5.342 30 40 IKEB C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2244521 MVXKXIHANMCASH-QFIPXVFZSA-N 444.874 5.156 30 40 IKEB CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 8809748 KSBOFSXCICFQQR-KKMLCIJBSA-N 427.504 7.014 30 40 IKEB C=CCn1c(SCC(=O)NCc2ccc(Cl)cc2Cl)nnc1C1CCCCC1 9507799 ULUJQQUOZIGKQF-UHFFFAOYSA-N 439.412 5.227 30 40 IKEB COc1cccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)c1 12482487 WJGLCCXUCUFBBS-CYYJNZCTSA-N 425.557 6.347 30 40 IKEB Cc1cc(/N=C\[C@@H](C#N)c2ccc(/C(C#N)=N/c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O 13404269 ICDYXACODOPILD-HWKDPCBGSA-N 448.530 6.421 30 40 IKEB CCn1c(/N=C/c2cc(C)ccc2O)nc2cc(Br)c(Br)cc21 16162787 CXFKUAKDYNBXPU-AWQFTUOYSA-N 437.135 5.346 30 40 IKEB Oc1c(Cl)cc(Cc2ccccc2Cl)cc1/C=N/c1ccc2c3c(cccc13)CC2 16450154 VAFSFHKPRNLMOI-WKULSOCRSA-N 432.350 7.292 30 40 IKEB Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 32913164 INQCBEZQVQCKTB-UHFFFAOYSA-N 434.304 5.162 30 40 IKEB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3sc4c(c3C#N)CCCC4)o2)cc1C 33445324 NMNKBNDEQCSOSG-UHFFFAOYSA-N 435.574 5.502 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)nc1 35131554 SRKMMBAFNGJPOB-OPVMPGTRSA-N 435.242 5.461 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3)nc2c1 38180013 XPBCTOXLTFSPNU-JUCPORTRSA-N 449.894 7.026 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 97953038 FTYRNCAFQRHGCW-UHFFFAOYSA-N 429.568 5.473 30 40 IKEB C=C1S/C(=N/c2c(C)cccc2C)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 100145384 ADSWCQFUPZGLJU-FCDQGJHFSA-N 434.396 6.253 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 101095254 BMJZRDCNJYOZLV-PYCFMQQDSA-N 431.667 6.960 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3CC[C@]23O[C@H]13 123231245 HXKDHGZOPCTTAY-NJWNJVFVSA-N 444.700 7.171 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)SC1=Nc1ccccc1 260562709 BISLFMSSQZMLDY-ODNHYCIJSA-N 447.648 6.813 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2cccc3ccccc23)cc1)N1CCc2ccccc2C1 408730606 RUHYNLWFTKBOJK-OVVQPSECSA-N 426.541 5.337 30 40 IKEB CC(C)(C)c1ccc(/N=C\c2cc(Br)c(I)o2)cc1 408949602 BNHZCYRKIHQKJM-NVMNQCDNSA-N 432.099 5.695 30 40 IKEB COc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl 409058861 UGMOSMQAELROIK-UHFFFAOYSA-N 448.390 5.975 30 40 IKEB Cc1ccc(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OC(=O)c2ccco2)cc1 409132147 ZLZXHKBQYNKYTF-UHFFFAOYSA-N 449.466 5.066 30 40 IKEB CCOc1ccc(CC(Nc2ccccc2O)=C2C(=O)CC(C)(C)CC2=O)cc1OCC 1080647 FRNZQINSSZUTOC-UHFFFAOYSA-N 437.536 5.057 30 40 IKEB C(=N/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1)\c1ccco1 8399211 LDRPNWYYHFXLJS-KDZRPQIVSA-N 449.539 6.683 30 40 IKEB CCCCCCCCCCOC(=O)Nc1ccc(Br)cc1Br 8426879 RTVMDYSPCJKHFX-UHFFFAOYSA-N 435.200 6.901 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)S2)cc1 8781000 NCNHMXBZHWLDOX-YBFXNURJSA-N 438.892 5.498 30 40 IKEB CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 8809747 KSBOFSXCICFQQR-AYQSFACRSA-N 427.504 7.014 30 40 IKEB Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)c1 10059676 FTQRSPSNNSZBAA-QFIPXVFZSA-N 430.577 5.537 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 13080652 HWRVUKINBVTWFD-QFIPXVFZSA-N 441.358 5.908 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1C 13122084 WUFDHUTXBVGMFP-HSZRJFAPSA-N 446.478 5.101 30 40 IKEB C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccncc1 14069306 PQCFORSISUTZBS-OAQYLSRUSA-N 445.523 5.137 30 40 IKEB CCCCN1C(=O)/C(=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c2ccccc21 15016588 JJIBUHATVABDNO-XJFMHJCUSA-N 425.941 5.091 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(F)(F)F)cc2)cc1 15303965 LLNRKJFJWZESND-SIBVEZHUSA-N 448.488 6.993 30 40 IKEB N#CC1(C#N)[C@H](c2ccncc2)[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21 16034235 OXCIYJZVMDHYKH-VXNXHJTFSA-N 436.902 5.019 30 40 IKEB Cc1cc(O)c(/C=N/c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1Cl 16267666 VBRKPDMEBPLLHM-RWPZCVJISA-N 434.967 6.963 30 40 IKEB O=C1/C(=N\c2ccc(Br)cc2)C(n2nnc3ccccc32)=C(O)c2ccccc21 17179842 CFDIVWHVFIILTB-CLCOLTQESA-N 445.276 5.047 30 40 IKEB N#Cc1c(NC(=O)CCSc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 23153774 ABIXYRSBGKSYGC-UHFFFAOYSA-N 433.602 5.299 30 40 IKEB COc1cccc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)/c(=N/OC(C)=O)oc12 67350844 GPEMBOVLYMUNRS-GFMRDNFCSA-N 426.881 5.264 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)c1ccc(F)cc1 100411786 BMCYMWOCEOBOJV-BRJLIKDPSA-N 440.952 6.814 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408858932 ROJIXYJAUZQVRL-BNUIPMERSA-N 438.524 5.549 30 40 IKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 408868322 PPMUQPKLBJLFDY-ODLFYWEKSA-N 428.872 5.639 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 408905774 DQZAVVVHDZFJPW-OQNHBUHUSA-N 430.529 5.595 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3ccc(O)c(OC)c3)S/C2=N/c2ccccc2)cc1 408917016 KWMWZLOESGAGOS-GTZNUUOLSA-N 446.528 5.214 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=NC(=O)c4ccc(Cl)cc4)NC3=O)c2C)cc1 409148471 YYHXPXFTFKVRBC-BKUYFWCQSA-N 449.963 5.456 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3c(C)n(C)c4ccccc34)c(C#N)c2-c2ccc(C)cc2)cc1 409357199 PIBUGXOINNEPBC-KCSSXMTESA-N 443.550 7.653 30 40 IKEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2[nH]c3ccccc3c2C)n1 585295087 ZPNHYEPCIOGBQE-VWLOTQADSA-N 437.551 5.312 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1OC 709641 MTEXHNHGKQLPMQ-DNOBIOAJSA-N 442.515 5.389 30 40 IKEB O=C(Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1)c1ccccc1 903943 FWOOCBIEEROUCK-FSJBWODESA-N 429.701 5.811 30 40 IKEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 1031952 DBYDZGCAIPUUFW-PQHDRGKASA-N 443.572 5.198 30 40 IKEB CCC1=C(CC)[C@H](CC)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O 1108190 BQIGNKOHMRZTIZ-HOYKHHGWSA-N 425.594 5.744 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 1838200 DEGBJJIGYOULQQ-OQKWZONESA-N 426.557 6.457 30 40 IKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2428173 BSJTXDVLXCKAOO-UHFFFAOYSA-N 425.536 5.562 30 40 IKEB O=C(C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 2732266 VSJPGDCKSZNWBP-OAHLLOKOSA-N 439.224 5.299 30 40 IKEB Cc1ccc(NC2=C(C(=O)c3ccccc3)[C@H](c3ccccc3)N(c3ccccn3)C2=O)cc1 8407920 HPJZGHZBCROJNA-MHZLTWQESA-N 445.522 5.727 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/NCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1 8811314 MMILOUZVOWHWRV-WSDLNYQXSA-N 426.816 5.072 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 8821229 HJRPLBHIFZHDCS-LICLKQGHSA-N 449.746 6.798 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 9461650 NMMJOEFPUHGEBF-MLKPGFSBSA-N 445.588 5.873 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccccc1)[C@H]2c1ccco1 9482721 SJQMLGSBLWFRMB-SANMLTNESA-N 442.515 5.502 30 40 IKEB CCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3cccc(Cl)c3)nn21 9731835 KVOXDXHSFITRLK-QFIPXVFZSA-N 448.954 5.655 30 40 IKEB C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nc2ccccc21 11650697 QIRLOZDGVOFQTL-IBGZPJMESA-N 448.573 5.347 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)cc1 12565787 BXHSEJWQNJEJHL-VGOFMYFVSA-N 445.462 5.711 30 40 IKEB C=CCn1c(Sc2nnc(C)c(C)c2C#N)nc2sc(-c3ccccc3)c(C)c2c1=O 12904213 DPPILZCSACQIER-UHFFFAOYSA-N 445.573 5.049 30 40 IKEB COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c(OC)c1 16215411 MNVOHPONTJNCIK-UKTHLTGXSA-N 445.902 5.762 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1 16923191 VMZNBUPNEJEWDT-NSKAYECMSA-N 440.393 5.242 30 40 IKEB CS/C(=N/C(=O)c1ccccc1)SCCS/C(=N/C(=O)c1ccccc1)SC 17196054 JIGNBDBBGJSZTO-OLAQIDGISA-N 448.660 5.572 30 40 IKEB Cc1nc(-c2ccc(/N=C/c3ccc(N4CCC5(CCCCC5)CC4)cc3)cc2)cs1 18178255 YPJQRFCSDXOVNI-TURZUDJPSA-N 429.633 7.420 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccccc1F 20503315 NTHACJRDXJMIET-RUZDIDTESA-N 431.467 5.038 30 40 IKEB CCCC/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CCCC 35041988 BCGQXDKQJOBXQM-BLFRMDKKSA-N 427.526 5.727 30 40 IKEB CC(C)Oc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 38534884 YAGABWFIBDLYFJ-MUFRIFMGSA-N 436.467 7.362 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C 102401904 MXMUOWKXALQQEG-MRJHHRETSA-N 432.545 5.510 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccncc1 104387817 ORSYGWXOXOGXLP-NFFVHWSESA-N 432.722 7.141 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 408766350 UPBYQKSKEPQOCE-UZWMFBFFSA-N 436.643 7.875 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 408858735 OYQHCLJXGGFOEW-NLNLCADSSA-N 432.633 7.167 30 40 IKEB FC(F)(F)CCCCOC(OCCCCC(F)(F)F)OCCCCC(F)(F)F 1772820768 XMPHISYBIDGYCX-UHFFFAOYSA-N 436.355 6.518 30 40 IKEB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)o1 997105 ZEAUUTQQMKSDAH-CQSZACIVSA-N 427.529 6.114 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2401935 YZLXITGWVUGZTN-UHFFFAOYSA-N 445.954 5.907 30 40 IKEB CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 8440874 QMJRWRUJGMKUMR-HSZRJFAPSA-N 431.488 5.155 30 40 IKEB O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1Cc1ccccc1)CCCC3 8934338 VEMMUFPKBXYMHM-VULFUBBASA-N 448.979 5.485 30 40 IKEB CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N\c1ccc2c(c1)Cc1ccccc1-2 9065095 LBSYYJRAQHJKTH-CCFHIKDMSA-N 430.507 6.287 30 40 IKEB Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H]([C@@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2 12589297 GIVACYCDGIYMJO-OPAMFIHVSA-N 444.604 6.299 30 40 IKEB Clc1ccccc1CO/N=C1/CCCc2c1cc(-c1ccccc1)n2-c1ccccc1 12960567 CQGWLYUMAVBQAA-GNVQSUKOSA-N 426.947 7.055 30 40 IKEB COc1cc(C(=O)/C=C/c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1OC 13523682 LSWQYZBNXYWGQI-ACCUITESSA-N 448.475 5.285 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1 19418910 JCAWEFSPUMOZHL-UHFFFAOYSA-N 428.370 5.422 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)cc3)nc2c1 19643260 DEXZBHXZJUAWPP-IXORVSQSSA-N 445.475 6.381 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cc(C)ccc4C)ccc3C1=O)cn2C 28182474 MZNFHAVAKVNQEW-PPDIBHTLSA-N 439.511 5.999 30 40 IKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 38253914 ZGLHBRQAEXKACO-UCVPIVEQSA-N 428.657 5.727 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 59459530 PGBFSGQQHSERNN-FXZATJRASA-N 438.358 5.761 30 40 IKEB Cc1cccc(C)c1/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CC(C)C 102961268 SMWHTHHULFQKPC-HGFVNXKRSA-N 427.545 5.059 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)S2)cc1C 260567349 KRYNWFHDKUVDMM-VLZFXTDASA-N 433.621 6.225 30 40 IKEB Cc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(-c2ccccc2)cc1 408591706 KAMNUXWJZNIYEU-PKAZHMFMSA-N 425.488 6.220 30 40 IKEB COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O 408860890 HISIXBGNOODVMD-RQBVCSNNSA-N 444.959 6.424 30 40 IKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Cl)cc1Cl 408935794 NSZVBOUWOAJQKY-RAWMCFOBSA-N 426.269 6.866 30 40 IKEB FC(F)(F)c1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1 409050919 DHTJIPAHPVLTDS-LSFURLLWSA-N 426.261 6.037 30 40 IKEB Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c(C)n1C 409078467 IGUBBEWZRCOJMB-URWSDTSISA-N 447.648 6.857 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1\SC(=NC(=O)c2ccc(Cl)cc2)NC1=O 409128426 IIBPWTSDTQWWGG-MOSHPQCFSA-N 436.920 5.292 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OCC 409208185 BSXJHWSWWXGWSD-LPYMAVHISA-N 435.305 5.622 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c2C#N)C1 409212825 RFCLFEXVDBSXKM-ZCUUTASWSA-N 436.364 6.736 30 40 IKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409387929 YQDVJUFCRSTKSL-DHRITJCHSA-N 436.533 5.270 30 40 IKEB Cn1cc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)c2cc(F)ccc21 585294406 DZHXVAYLCUYSJD-JOCHJYFZSA-N 446.555 5.511 30 40 IKEB Cc1ccc(NCc2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c(C)c1 923601 YFAQVEFPABQTOQ-UHFFFAOYSA-N 429.549 5.312 30 40 IKEB Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c2c3c(sc2n1)CCCC3 1801810 ZUKCMCRFKBGROB-UHFFFAOYSA-N 440.619 5.031 30 40 IKEB N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1 3338145 HMEASNAJGVFVKA-UHFFFAOYSA-N 441.874 5.222 30 40 IKEB C(=N/N1CN(/N=C/c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1)\c1ccccc1 5518872 UCGXOCDSFKLAHV-FYXGDLPFSA-N 430.555 6.112 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C(/c2ccc(Cl)cc2)c2ccccc2Cl)c([N+](=O)[O-])c1 5699756 DULWYMBTCVYVBN-NMWGTECJSA-N 431.235 5.674 30 40 IKEB CCCCCCCCCCCc1nnc(NC(=O)c2cccc(Br)c2)s1 8407134 RXJPIDNNBARJLU-UHFFFAOYSA-N 438.435 6.626 30 40 IKEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1N1CCc2ccccc2C1 8844520 IZNFJDJRSMUONW-UHFFFAOYSA-N 431.879 5.601 30 40 IKEB Cc1cccc(C)c1/N=C1\S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CC1 12618541 ZKQOYYSKIQLWCJ-UGSMRDLSSA-N 443.572 5.579 30 40 IKEB O=C(C[C@@H]1S/C(=N/c2ccccc2C(F)(F)F)NC1=O)Nc1ccc2ccccc2c1 13069816 PIPPHFOSYQDFEE-SFHVURJKSA-N 443.450 5.107 30 40 IKEB O=C1[C@H](c2ccccc2)S/C(=N/N=C/c2ccco2)N1c1cccc(C(F)(F)F)c1 15931764 XRBJQNHZTSZWOT-ZUGVYDNOSA-N 429.423 5.510 30 40 IKEB C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccc(Sc2nc3ccccc3s2)o1 16525538 HWUKPMIPAFWQGJ-AFUMVMLFSA-N 426.522 7.691 30 40 IKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 20763564 ZHJKVSDSEOPWBM-JVWAILMASA-N 428.492 5.039 30 40 IKEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 27570836 HKZQCWWGDKSRHJ-HYARGMPZSA-N 447.918 6.094 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Cl)c(O)c(Br)c3)S2)cc1 34835058 RYZREASCUNZZFH-DHDCSXOGSA-N 437.746 5.262 30 40 IKEB C=CCOc1c(Br)cc(/C=C/c2ccc3cccc(O)c3n2)cc1OCC 36245346 WEJKNKHXSKYPOW-CSKARUKUSA-N 426.310 5.837 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCCC(C)C)nc(N)c32)cc1 44973565 DWMQXSRUQJLNSG-IBGZPJMESA-N 436.625 5.706 30 40 IKEB CCCCCCCCCOc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 50704700 CWBBGOHZQWTGPJ-UHFFFAOYSA-N 440.591 7.541 30 40 IKEB CC(=O)n1nc(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(Br)ccc3ncc21 95080134 RTUILLNUVFGQRW-UHFFFAOYSA-N 433.309 5.475 30 40 IKEB CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc23)CCCC1=O 100140305 GOJIBCJRFNYELA-UHFFFAOYSA-N 430.548 5.174 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)S/C1=N/c1ccccc1 223534212 ZOUPOVGIRFKBMS-LPJLAFHTSA-N 433.621 6.423 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 408667026 AWUAQIJPVXPPCU-UHFFFAOYSA-N 438.568 6.497 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3Br)c2C)cc1 408768821 JYBMOEXCLHWFAG-OYKKKHCWSA-N 425.326 5.784 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 408815299 JAFDGKKVYHYCLS-STBIYBPSSA-N 426.903 7.288 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N\c1ccccc1 408861419 ACHIYFXGYVAKER-RBAQKUGKSA-N 445.382 6.225 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c(C)c1 408915411 YCFDQGFBIJXBAT-AJGXWLHTSA-N 442.584 6.159 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(Br)c(Br)o2)S1 408954610 UARFBUZLVGDDAX-GHXNOFRVSA-N 442.132 5.005 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc(Br)ccc1O 408963249 BCHSCBRLDMMIAH-NTUHNPAUSA-N 444.137 5.353 30 40 IKEB COc1cc(C)c(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1C(C)C 409131993 OAJXZKXGVPRVKQ-ODLFYWEKSA-N 428.941 5.181 30 40 IKEB CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1C(C)C 409213481 VZJBFCNPRRVIHL-KQSCOELBSA-N 433.917 5.597 30 40 IKEB COc1cc(/C=N/c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)o1 409384852 FNSDNCPHNWFJKX-SSDVNMTOSA-N 430.254 5.079 30 40 IKEB N#Cc1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 1083811686 DGBIFFZIWXAZRT-UHFFFAOYSA-N 433.192 5.379 30 40 IKEB COc1ccccc1/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1OC 1235766 KPNMKLBBPBUSOP-YWROOUKNSA-N 432.501 5.218 30 40 IKEB C=C(C)CSc1nnc2n(CC(=C)C)c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 2247974 XEVMACPTXXFZAK-UHFFFAOYSA-N 432.593 5.170 30 40 IKEB Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(C#N)c1-c1ccc(Cl)cc1Cl 2769883 LABFJWDUONOHER-QWHCGFSZSA-N 435.332 5.508 30 40 IKEB CC[C@H](C)CCCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 3244152 KLEMNTVKTPEXQB-SFHVURJKSA-N 448.592 5.215 30 40 IKEB Cc1ccc(C(=O)C2=C3Sc4ccccc4N3C[C@@H](C(=O)c3ccc(C)cc3)C2)cc1 3648539 WNIMNXOYTCWXFQ-NRFANRHFSA-N 425.553 6.213 30 40 IKEB O=C(C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccccc1)c1ccccc1 5734225 BMQNKFJDTKGIOL-UHFFFAOYSA-N 429.457 5.214 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 8818183 UGRMMBSACGWDRF-FQEVSTJZSA-N 446.553 5.758 30 40 IKEB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1sccc1C#N 12907282 NXAJFVFVBFJKQZ-HNNXBMFYSA-N 443.557 5.258 30 40 IKEB Oc1ccc(/N=C/C=C/c2ccc(Br)cc2)cc1-c1nc2ccccc2s1 17747828 PVZCVHBQXAGIBJ-CGIFWJFOSA-N 435.346 6.847 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)c2ccccc21 28182586 VLDBJTIDQPKCOH-QFEZKATASA-N 427.475 6.304 30 40 IKEB CCc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3ccc(F)cc3S2(=O)=O)cc1 32950870 ZGBOZDMUWYNQEO-UHFFFAOYSA-N 441.911 5.691 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(F)ccc3S2(=O)=O)cc1 32984357 ODMMMSODBSQUSQ-UHFFFAOYSA-N 427.884 5.437 30 40 IKEB Fc1ccc(Oc2ccccc2/C=N/c2ccc(I)cc2)cc1F 100410975 OQPUNGDWAFCXSJ-FSJBWODESA-N 435.211 6.112 30 40 IKEB O=C(Nc1ccccc1Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 102057036 MICZWXFZPABAQO-UHFFFAOYSA-N 435.620 5.177 30 40 IKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102864502 CTHXWBFZDBUQQK-LFVOPCPISA-N 438.936 5.348 30 40 IKEB CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1ccc(Cl)cc1Cl 104321281 MXJISMJMVXUHIX-XMMPIXPASA-N 430.504 8.050 30 40 IKEB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OCC#N 106718410 NPHCAOJCDOCVFY-HAHDFKILSA-N 444.512 5.377 30 40 IKEB N#Cc1ccccc1COc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408574512 UZXAPUINOJFUJW-NRFANRHFSA-N 431.879 5.681 30 40 IKEB Cn1c(N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)nc2ccccc21 408658429 OCEGAFFFCDIJFR-ZVHZXABRSA-N 435.325 5.361 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408738203 JBRVUNGFHGOWAX-ZVHZXABRSA-N 425.326 5.784 30 40 IKEB Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCCC1 408743077 ZCYHFWCYLPNITC-YZSQISJMSA-N 433.577 7.420 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1ccc(F)cc1 408913943 WEOBTVJSHQKRBE-GATIEOLUSA-N 444.850 5.206 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408970520 ASYHHXSMPSIWID-STZFKDTASA-N 447.416 5.486 30 40 IKEB CC(C)COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(C)C1=O 409056197 NCJQBYJQNFFORC-MSBDOUPJSA-N 444.940 5.307 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1OC 409078035 HCROEQRHPFWTDJ-IAUUDGPGSA-N 444.984 6.007 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409208224 AVVBRLHYKXEYLX-MFKUBSTISA-N 443.952 5.874 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C 409213565 UUTPCDDGIHIQPP-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB Cn1cc(CN2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)c2cc(F)ccc21 585295251 RTYZZFOGSKURAB-UHFFFAOYSA-N 446.555 5.164 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C 2055451 AHEKUNMMNLALIW-DEOSSOPVSA-N 439.596 5.811 30 40 IKEB Cc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1/N=C/c1cccc(Cl)c1Cl 2842442 YZCVYJDAQDHUHU-LYXAAFRTSA-N 436.169 8.110 30 40 IKEB Clc1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1Cl 3043233 DXSHWFWUQZLXIZ-BHGWPJFGSA-N 446.131 7.315 30 40 IKEB Cc1ccccc1/N=C1\SCC(C)(C)N1C(=O)c1ccccc1OCc1ccccc1 3350802 DQZLRGAVJKENHY-RFBIWTDZSA-N 430.573 6.229 30 40 IKEB CCCCCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC2=C1C(=O)CC(C)(C)C2 5341790 WOAMSVFCZIFFFK-XMMPIXPASA-N 435.608 7.069 30 40 IKEB Cc1ccc(-c2c(C#N)c(SCC(=O)Nc3cccc(C)c3)nc3c2CCCC3)cc1 8406227 BMTFZXVPJMCUBL-UHFFFAOYSA-N 427.573 5.847 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9370685 XIZYHBSYRMMUKS-INIZCTEOSA-N 431.300 5.233 30 40 IKEB C=CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 14093187 TWJFKMXPIDEABY-AREMUKBSSA-N 428.532 5.266 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 19832299 MPKUGXXCDXKNSL-JWMLTMDESA-N 430.529 5.826 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 20233540 UEMYMTJDUIBMKM-YZSQISJMSA-N 430.529 5.040 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)[C@H]2c1ccco1 21722797 HGFWPISOQPDINR-DEOSSOPVSA-N 448.544 5.285 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)c2cc(OC)ccc21 28182810 RFWKINAAPLKRNK-QFEZKATASA-N 446.547 5.368 30 40 IKEB Cc1ccc(/N=C2\c3ccccc3C3=NC(=O)N[C@@](c4ccccc4)(C(F)(F)F)N32)c(C)c1 104715614 UUOIXSUFCIKXRN-ZFPFFWPSSA-N 448.448 5.582 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OCC(C)C)c4ccccc34)C2=O)s1 107658269 IMDSMROLARKMDM-PYXFXZIOSA-N 437.590 5.706 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)cc1 223554808 MGQKPPDTZBEDTL-XHFXOGKZSA-N 447.648 6.641 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)S2)cc1 408533354 QMXCIRPPIMRCRW-HMAPJEAMSA-N 445.500 5.374 30 40 IKEB CCCOc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 408533768 SCEJQTFECRTCTL-ZEHKLFRWSA-N 442.584 6.901 30 40 IKEB COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)S1 408721246 NKZKRIMTJNEMGQ-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB CCOc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 408923992 PNUUTMOSZDQXIJ-ZMFRSBBQSA-N 442.968 5.953 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)S2)c1 408960859 OWWCVGMMQFLCBI-HMAPJEAMSA-N 444.512 5.164 30 40 IKEB CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2N(CC)CC)sc2c1CCCC2 409067041 IYBKBPDBBUZYTI-OEAKJJBVSA-N 429.542 5.309 30 40 IKEB CN(C)c1oc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br 409084896 NHRJVGDMMPPTBB-LITAXMHPSA-N 434.403 5.943 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)c2C)cc1 409187725 UETNZKDVPAAVQZ-HAHDFKILSA-N 431.561 5.693 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409201618 NBRNLYWWEWJQNR-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409210548 KVJSIVADHSJPLO-JVWAILMASA-N 436.939 6.069 30 40 IKEB Fc1ccccc1COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 409215244 VZEQAXVKFSVBDV-STBIYBPSSA-N 431.894 7.601 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cc2ccccc2o1 409340312 UWRVHTRRLLRMOK-UHFFFAOYSA-N 440.528 5.761 30 40 IKEB CCCCc1ccc(CN2CCC(c3cc(Nc4ccc(C#N)nc4)nc(C)n3)CC2)s1 585295422 YXGINMCFQBEMEJ-UHFFFAOYSA-N 446.624 5.579 30 40 IKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8821086 XBAIZKHLPRQVJL-WOJGMQOQSA-N 425.853 5.400 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)c2ccccc21 8992127 VLDBJTIDQPKCOH-AFUMVMLFSA-N 427.475 6.304 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c2ccccc21 9422997 XEMGDIDTYNMEJB-DHRITJCHSA-N 429.903 6.510 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 12374180 UFJCBLHJHZPKRF-IWIPYMOSSA-N 428.484 5.828 30 40 IKEB biogenic C=CCSc1nnc(N2C(=O)C[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)s1 12402393 RMTQCMXQADRKFZ-LBPRGKRZSA-N 431.608 5.041 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)n1-c1ccccc1Cl 12524561 MLPOOMPPWRKZNA-OPEKNORGSA-N 436.821 6.121 30 40 IKEB COc1ccc(Cl)cc1/C=C1/S/C(=N/c2ccc(C)cc2)N(Cc2ccccc2)C1=O 19648397 LMIZVXDKVVALDG-VCICBFQVSA-N 448.975 6.461 30 40 IKEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3cc(C)cc(C)c3)S2(=O)=O)cc1 20558798 BMXKBYAZPFGLNT-BUVRLJJBSA-N 432.545 5.098 30 40 IKEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 20646951 WUEDDSYVZIQZJQ-FDRCZSESSA-N 425.528 6.050 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccc(-c2nnc3n2CCCCC3)cc1 22079554 ZNRYZNMWKDBUPO-CYYJNZCTSA-N 441.604 5.928 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1sc2ccccc2c1Cl 59500706 TWWCTUUCUQEMOU-DHRITJCHSA-N 426.324 7.178 30 40 IKEB Clc1ccccc1-c1nn(-c2ccccc2)cc1CN1CCS/C1=N\c1ccccc1 71195241 KSZBROZEZGEPPB-RFBIWTDZSA-N 444.991 6.429 30 40 IKEB Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 95471419 ZZRNSWCMOYMPER-OPEKNORGSA-N 439.422 5.481 30 40 IKEB Cc1cccc(/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1 105537995 YLQPGPADXHFBIF-QRVIBDJDSA-N 428.317 6.066 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(-c4ccccc4)cc3)c3ccccc32)c1 408544061 ULYKNWDTYQORDA-ZCTHSVRISA-N 444.534 6.894 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 408764021 HXHMXNHMOOPDMW-WQRHYEAKSA-N 429.328 6.453 30 40 IKEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408845101 FFVJOLBTPSXEQL-KSEXSDGBSA-N 427.844 5.113 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408913633 QYCDLOAZVOSULB-HUOZHCEOSA-N 438.593 6.052 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl 408940350 NVOMMVBBNMJINM-QNAAZPGRSA-N 438.958 6.929 30 40 IKEB CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408941177 OUAVVNZYWXPSCU-UUQTWXEZSA-N 442.990 7.706 30 40 IKEB CN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccc(Br)c(Cl)c1 409012705 LEKLZDVPJDKNCK-GQQYLGSISA-N 446.757 5.818 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c2C#N)C1 409084522 MGGRXIDZBMSUFE-KSXCTLEASA-N 432.549 6.220 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c(C)c1 409214654 ZEZWRRXDVIKCCY-RPPGKUMJSA-N 428.315 6.638 30 40 IKEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)c1 2160999 BWWIYKOHPQCDQA-OOHHOYHOSA-N 440.451 5.238 30 40 IKEB biogenic N#Cc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 3337178 MKKRIGYZHIHREC-UHFFFAOYSA-N 436.949 5.614 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 4080031 IENZLPCPVYGBNZ-CPJLOUKISA-N 435.354 6.973 30 40 IKEB O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 7017209 QZFGQBJWAPWRSN-YMERHICUSA-N 425.340 6.802 30 40 IKEB CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(C)c(C)c1 8385199 VWJDRYKVGRMRDT-COPMAWBXSA-N 429.973 5.245 30 40 IKEB N#Cc1c(NC(=S)Nc2sc3c(c2C#N)CCCCC3)sc2c1CCCCC2 9183489 GSGRQVQDPULTHN-UHFFFAOYSA-N 426.636 5.900 30 40 IKEB CC(C)Oc1ccc(-c2nc(N/N=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 9356833 MAFQAJZHUSHLMX-MFKUBSTISA-N 427.464 5.438 30 40 IKEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 9374699 DPXYSGGAJFIYSL-NRFANRHFSA-N 441.955 5.252 30 40 IKEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)s1 11024168 BDWARKGJTKUSIN-QGZVFWFLSA-N 429.611 5.233 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1 14152522 NUHFMIGIZHYMER-UHFFFAOYSA-N 438.727 5.034 30 40 IKEB Cc1ccc(Oc2ccc(NC(=O)C3CCN(/C=C/C(=O)C(F)(F)F)CC3)cc2)cc1 15980727 YDXBKJUYNZEAEG-NTCAYCPXSA-N 432.442 5.083 30 40 IKEB COc1cc(C(=O)Oc2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1OC 16943495 YMRGZDBWGCAUJU-LQKURTRISA-N 449.547 5.319 30 40 IKEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)O2 18196544 TUENUWCCBNPJGB-JOCHJYFZSA-N 439.342 6.078 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccc([N+](=O)[O-])cc3)nn1[C@H]2c1ccc(Cl)cc1 21658657 OFBJWBOXZRGQKN-QHCPKHFHSA-N 448.910 5.770 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)c1C 59104453 SURKVJOKZGNQOS-IWIPYMOSSA-N 443.616 6.473 30 40 IKEB O=C1C(=Cc2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)C(=O)c2ccccc21 59490094 KWWUQRWGAXAPET-UHFFFAOYSA-N 438.464 5.757 30 40 IKEB COc1cc(N/C=C/C(=O)c2ccc3noc(-c4cccc(OC)c4)c3c2)cc(OC)c1 100368708 WTMKUWNWHRAHJS-MDZDMXLPSA-N 430.460 5.329 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc2ccccc2c1 100505614 AFAIMFKUBBKBTB-QDJRPKQISA-N 431.586 6.224 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Cl)c2)cc1 102928314 AIPXHOOUQFXYBZ-LFVOPCPISA-N 438.936 5.348 30 40 IKEB CC(=N/N=C(c1ccccc1)c1ccccc1)/C(C)=N/N=C(c1ccccc1)c1ccccc1 104068746 SQNDMHBJDILOHJ-FNKNYVMZSA-N 442.566 6.813 30 40 IKEB CCC(C)(C)[C@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc34)c(C#N)cc2C1 215673469 IPAFZAPWNDPTMC-IBGZPJMESA-N 444.604 5.773 30 40 IKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 408591154 RQNMGHILYONCHS-SSDVNMTOSA-N 427.848 5.318 30 40 IKEB N#Cc1ccccc1CO/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 408593471 PRTYPTDWBXSNLW-UVHMKAGCSA-N 441.365 5.828 30 40 IKEB CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1ccc(C)cc1 408907614 OBJSEABZSYPFRC-UINIZAEWSA-N 428.557 6.198 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2CCc2ccccc2)cc1 408911433 JMMMTKFWCHHATD-ACWMPWAISA-N 432.976 6.495 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1C 409217085 NUWBXOONPUFTQP-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB S=C(NCc1ccccc1)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409218154 SUIDWBDDONNOFT-YKQZZPSBSA-N 448.595 5.841 30 40 IKEB CC[C@@H](C)Oc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cccc1OC 409279486 HUBRZJWPCAKVDK-GOSISDBHSA-N 433.552 5.512 30 40 IKEB CC[C@@H](C)n1c(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409297181 SGVJXOYQATZIGA-LJQANCHMSA-N 440.591 6.561 30 40 IKEB COc1ccccc1NC(=O)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OC 409319189 BTZQGPHQBDYWEW-OEAKJJBVSA-N 447.512 5.051 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1O 1014350 KDRHSIVWJBNKAY-AUERHCTOSA-N 430.529 5.248 30 40 IKEB Oc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)c(O)c4)cc3)cc2)cc1O 1045505 JVTGQUJALZMOKI-LPHFKDDMSA-N 438.483 5.601 30 40 IKEB CN1CCN(/C=N/c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)CC1 1459254 GSLMHCIDVZVFAJ-MWAVMZGNSA-N 449.558 5.242 30 40 IKEB COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1927690 MNXPXOIMGWLTSF-GXWOQWCDSA-N 431.355 5.168 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 2270797 PCLCVDPQLMETQG-QGZVFWFLSA-N 438.662 6.575 30 40 IKEB COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1cccc(Cl)c1 2791747 DWMQKAJHVBLBHB-AUEPDCJTSA-N 438.887 5.061 30 40 IKEB COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC 6075271 FFQWKIASRBTZQZ-AWEZNQCLSA-N 428.554 5.049 30 40 IKEB O=c1c(/C=N/Cc2ccc(F)cc2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 8450403 OGVRCBSKAMIRPR-CVKSISIWSA-N 428.492 5.201 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 8817529 BDFYXGMBRLNPGT-OAQYLSRUSA-N 444.512 5.597 30 40 IKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC 8854740 FNOYHEBTRUGYFK-HSZRJFAPSA-N 437.536 5.171 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9370684 XIZYHBSYRMMUKS-MRXNPFEDSA-N 431.300 5.233 30 40 IKEB C=CCn1c(SCC(=O)N[C@H](C)CCC)nc2sc(-c3ccccc3)c(C)c2c1=O 12801959 PIKANEIOZXDDNR-OAHLLOKOSA-N 441.622 5.016 30 40 IKEB CN(C)/C=N/C(=O)[C@@H](c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl 12861387 SMISJDSFXHUEBI-LNILKRBFSA-N 438.664 5.309 30 40 IKEB N#Cc1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 14269504 GCWAUSWQGHSQFB-UHFFFAOYSA-N 447.585 5.204 30 40 IKEB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Br)s1 15016307 HZQUTHQUCZTWHX-XFFZJAGNSA-N 433.274 5.421 30 40 IKEB CCOc1ccc(-c2cs/c(=N\N=C(/C)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 16805989 KDLOFESDRVHGBL-KKCSMFPCSA-N 447.991 6.583 30 40 IKEB C=CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 33400938 IHSFMIOECVPKDY-CQSZACIVSA-N 430.936 5.040 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(-c2ccccc2)cc1 59193691 ZNEMZDLPODAHNH-JFLMPSFJSA-N 438.383 7.620 30 40 IKEB COc1ccc(/N=C2/S/C(=C\c3ccc(Br)o3)C(=O)N2CC(C)C)cc1 96936319 HNSQPHVTLBICIO-PMDYYOJLSA-N 435.343 5.311 30 40 IKEB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc2c(c1)OCCO2 100117647 VHXBRGQYPOBSKD-FRHWEDRMSA-N 438.527 5.414 30 40 IKEB CC(C)(C)c1cc2oc3c(c2c(/C=N/c2sc4c(c2C#N)CCCC4)c1O)CCCC3 102939810 NAOZZANXCNOIPO-CCVNUDIWSA-N 432.589 6.877 30 40 IKEB Oc1ccccc1/C=N\c1ccc(OC(F)(F)C(F)F)c(/N=C/c2ccccc2O)c1 103651757 ZAAYHSHFYGQLBP-XIGAPKBBSA-N 432.373 5.836 30 40 IKEB Cc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(C)C1=O)[C@H](C)CC(C)(C)N2C(C)C 260572541 WTFKCCHNRILFFT-KUZKQORWSA-N 447.648 6.729 30 40 IKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1Br 408593102 PCNOZTYQNPVFQO-WSDLNYQXSA-N 428.286 5.316 30 40 IKEB COc1ccc(-c2nc(/N=C/c3cccc(OC)c3OC)sc2-c2ccccc2)cc1 408722032 CFADYGQYBGRRRA-WGOQTCKBSA-N 430.529 6.254 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 408801186 SAIVTSOVTMYJFZ-QDTIIGTASA-N 446.856 6.435 30 40 IKEB Cc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 408976719 SMEMEPYBXRQVHN-MFKUBSTISA-N 428.517 6.448 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1cccc(F)c1 409112170 BRXJJCCDZNIWRH-UHFFFAOYSA-N 439.958 7.106 30 40 IKEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 409146016 RLGLLLIWBZFXRT-DVKISJPDSA-N 428.491 5.066 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12 409210336 JOXHRNWCFYQJJE-RWPZCVJISA-N 429.903 6.829 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccccn1 409221334 OQHQUIHEYKYWQZ-ZDLGFXPLSA-N 443.359 5.688 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cn3)c2C)S/C1=N/c1ccc(F)cc1 409237485 UVIMJRQOJHIINA-OFSJXLMGSA-N 434.540 5.561 30 40 IKEB CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409292387 DWSUXHGIJKCSNV-QGZVFWFLSA-N 448.523 5.412 30 40 IKEB C=CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 1297723 GSAJOYCTDXCTOH-GOSISDBHSA-N 426.607 5.076 30 40 IKEB C=CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 3431179 QZXZHNAZUACNGW-UHFFFAOYSA-N 429.885 5.213 30 40 IKEB CC[C@@]1(C)C[C@@](CC/N=C/c2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 4951104 HXQQXLYXXSIJSC-RPJMPTQPSA-N 425.569 5.439 30 40 IKEB CCCCCC(=O)N1c2ccccc2CC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C 6635081 SVGLNJIGDXUCDK-SANMLTNESA-N 433.596 5.625 30 40 IKEB C[C@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N 8710563 WWYDROZIJODPRT-HNNXBMFYSA-N 436.309 5.552 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)ccc1O 8821188 NRKFAYFQZHBZBZ-PXNMLYILSA-N 442.846 5.355 30 40 IKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)cc1 8844506 NPFBRCUTPHTWIQ-UHFFFAOYSA-N 429.432 5.035 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 9359939 IXRMAEKRFREINH-HXUWFJFHSA-N 448.475 5.374 30 40 IKEB Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)cc1 9476906 XZMSGUMZNPEWPN-YVNNLAQVSA-N 448.858 5.350 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2ccc(Br)s2)cc1)N1CCc2ccccc21 12377452 MQTZRKUSQRKYDA-FYJGNVAPSA-N 447.379 5.013 30 40 IKEB C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1c(F)cccc1Cl 13843837 UUNRDWZPIRDXAT-UHFFFAOYSA-N 445.991 6.425 30 40 IKEB CCCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 15894147 NKJYZYWCGKSMSV-BDPSOKNUSA-N 442.640 6.360 30 40 IKEB biogenic,in-vitro Cc1c(Cl)cccc1N/C=C1/C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 20575619 LSPXRAHSWSJAFG-UNOMPAQXSA-N 444.965 5.196 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2cc(OC)ccc21 28182565 LQDBMUVTXLKXQX-WKIKZPBSSA-N 439.511 6.173 30 40 IKEB CCc1ccc(/N=C2/S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 100299340 SQKWGNBLDPPRJC-JMCHZZBBSA-N 443.616 6.677 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)cc1C 223553119 HOKRWHZDFMPPDB-QHSFOXILSA-N 447.648 6.696 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Br)cc2)NC1=O 408820074 UXDHULTZTLPIGU-YBEGLDIGSA-N 437.746 5.393 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2CC)cc1 408960809 OGOXLNZPALQBGD-YJMOJNCUSA-N 435.593 5.700 30 40 IKEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 408976749 RZCDJYBKVWMZEX-KOEQRZSOSA-N 439.511 5.973 30 40 IKEB N#Cc1c(/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 408982675 JMGIPPVSNWYBJH-UVHMKAGCSA-N 441.383 7.135 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c(C)c1 409008656 ZIOFAFRMRDJPJR-KGENOOAVSA-N 436.621 6.496 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409208615 DCZVNORRYHYTQL-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1 409212492 MSPGOHCSABKSAV-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c[nH]c4ccccc34)cc12 409286311 PSJQOYNGJJNZDP-UHFFFAOYSA-N 434.455 5.182 30 40 IKEB N#CCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409339990 OBZMFGXCFOJVHD-MUUNZHRXSA-N 445.522 5.955 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cc2ccccc2o1 409350817 SPUZLDHRYFSUPT-UHFFFAOYSA-N 438.940 5.570 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)cc(C)c1O 409373751 UDBFKKSTZCXZCF-QFQBBHSUSA-N 442.584 6.246 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1OC 409376990 DHSOZBBACIXPNZ-JIIAKRDZSA-N 430.957 5.760 30 40 IKEB Oc1ccccc1/C=N/[C@H]1c2ccccc2O[C@@]2(/N=C/c3ccccc3O)CCCC[C@@H]12 1055867 PPJFANUQDXSZTQ-MJIOCFKTSA-N 426.516 5.656 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O 3035785 VQXHLYXACXISBL-ZMOGYAJESA-N 433.489 6.035 30 40 IKEB COc1ccc(/C(C)=N/N=c2/scc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 8385602 RBDSDDFEIBTPGD-MEESDTILSA-N 429.545 5.548 30 40 IKEB Clc1ccc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn23)c(Cl)c1 8427524 RSYYKYVSEDRBCR-OPEKNORGSA-N 435.141 7.366 30 40 IKEB C=CCNc1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2)n1 8873831 OWJQTQAYKKOLID-UHFFFAOYSA-N 448.444 6.966 30 40 IKEB O=C(C[C@H]1S/C(=N/c2ccccc2C(F)(F)F)NC1=O)Nc1ccc2ccccc2c1 13069814 PIPPHFOSYQDFEE-GOSISDBHSA-N 443.450 5.107 30 40 IKEB Cc1cccc(NC(=O)[C@]2(C#N)[C@@H](c3ccccc3)[C@@]2(C)C(=O)c2ccc(Cl)cc2)c1 14944510 IPHQYXBFPOIGLR-HRNNMHKYSA-N 428.919 5.784 30 40 IKEB Cc1ccc(/N=C(\c2ccccc2)N(SC(Cl)(Cl)Cl)c2ccc(C)cc2)cc1 16291579 PULWFASZCSVMOK-YYADALCUSA-N 449.834 7.864 30 40 IKEB O=C(Nc1sc(N/N=C/c2cccs2)nc1-c1ccccc1)c1ccc(Cl)cc1 16750598 UWVGQMIWKGBHTB-YDZHTSKRSA-N 438.965 6.223 30 40 IKEB C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl 32754432 WEDXXOPOQYZCMT-LLVKDONJSA-N 438.384 5.972 30 40 IKEB O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 33751445 NFCGDKANQDHJRW-YVADOFBFSA-N 449.373 6.253 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3ccccc3Cl)C(=O)N2c2ccc(CC)cc2)cc1 59104884 AQBDILCMMRMSCZ-NMRWETQTSA-N 447.003 7.273 30 40 IKEB C=COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95676761 UCRSPYLHWASUKR-UHFFFAOYSA-N 440.102 5.047 30 40 IKEB in-vitro C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 96334677 XOWUWSRAQZUPJP-ASMOWKBLSA-N 444.656 5.204 30 40 IKEB CC(=O)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 102624464 BYABYNRGWUNXIM-MOBKVPTQSA-N 431.875 5.169 30 40 IKEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(Br)c3)nc2c1 226344278 JXNRWWSCIVBYPJ-UHFFFAOYSA-N 436.103 5.098 30 40 IKEB C=CCn1c(C)c(/C=C2\SC(=Nc3cc(C)c(C)c([N+](=O)[O-])c3)NC2=O)c2ccccc21 408818206 ZRIKWWKECVZOAA-XKZIYDEJSA-N 446.532 5.552 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1cc(C)ccc1C 408909671 HQTIPGRMCVCXMD-QMSJJHEMSA-N 447.516 6.096 30 40 IKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 408954292 SIGNLWCUSUUNTJ-UNOMPAQXSA-N 444.343 5.684 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(Br)c(OCCC)c(OCC)c2)SC1=S 409343484 HTBZLCWWMFJLBL-RVDMUPIBSA-N 442.400 5.024 30 40 IKEB Cc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2cccc3ccccc32)c1 2570529 XHBNZUAMINOLIS-UHFFFAOYSA-O 442.520 5.395 30 40 IKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 6782324 SRCXWQQPKIWNSF-RUZDIDTESA-N 425.528 5.631 30 40 IKEB biogenic CC(C)(C)c1ccc(-c2cc(-c3cccs3)c(C#N)c(SCc3cccs3)n2)cc1 8396470 ZZEREEDVESFFRD-UHFFFAOYSA-N 446.666 8.000 30 40 IKEB CN(CCN(C)/N=C/c1ccc(Cl)cc1Cl)/N=C/c1ccc(Cl)cc1Cl 9137066 AYPIVWJEHRSHKT-ASIDMNOUSA-N 432.182 5.532 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccccc1)N(C(=O)c1ccc(Cl)cc1)c1ccccc1N2 9264158 ODPHRYGXPPCFJO-RUZDIDTESA-N 428.919 6.161 30 40 IKEB Fc1cccc(COc2ccc(/C=N/n3c(-c4ccccc4)n[nH]c3=S)cc2Cl)c1 9296299 ARDNWIDXOGVJHG-DHRITJCHSA-N 438.915 5.861 30 40 IKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C(C)C)cc1 9380536 STGLCLJCVUQQJK-HXUWFJFHSA-N 440.337 5.337 30 40 IKEB O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 9539566 ASEVCKUUHATXDL-SOFGYWHQSA-N 429.404 5.034 30 40 IKEB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C 12445201 AITJTURKCCCOIZ-JTAQYXEDSA-N 441.402 7.134 30 40 IKEB Cc1noc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3cccc4ccccc34)cc2)c1C 13124017 IICIUEBGWCRBAH-PFONDFGASA-N 447.516 5.054 30 40 IKEB C=CCn1c(-c2ccc(SC)cc2)c(-c2ccccc2)s/c1=N\c1ccc(C)cc1 13764957 XJRXRAPMVHSRBZ-RQZHXJHFSA-N 428.626 7.332 30 40 IKEB O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 15979675 YGWPNMBKQYDKMF-QHHAFSJGSA-N 432.288 5.739 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c2C#N)C1 17097414 UTMFLUIGKRGURN-NSHDSACASA-N 431.344 6.564 30 40 IKEB Cc1nn(Cc2ccccc2)c2c1[C@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)O2 18197132 ZETNUWLLGHAJBB-HSZRJFAPSA-N 439.342 6.078 30 40 IKEB O=c1oc2ccccc2c(NC2CCCCC2)c1/N=C(\O)COc1ccc(Cl)cc1 21147888 SXBMPWFGWPJANV-UHFFFAOYSA-N 426.900 5.858 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(F)cc1 59137101 VSJGNGMNXPNKFE-NDENLUEZSA-N 425.916 5.778 30 40 IKEB CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCC 100167311 YEVRRNZSZWIYCX-BIXSNLIQSA-N 448.776 10.264 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N\c3cc(C(=O)O)ccc3C)c3ccccc32)c1 408544403 VWSXMJXYYZHLMX-VYYCAZPPSA-N 426.472 5.233 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1O 408885338 ZNLBPJNCUCEDSV-WBUAKJRLSA-N 426.513 5.477 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1O[C@@H](C)CC 408963618 CVRNJBPRPVUXJG-HCZVKUGISA-N 448.947 5.947 30 40 IKEB C#CCn1c(C)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cc(C)ccc21 409030748 HQEJKBWPRINBLC-JNNAGZRYSA-N 441.350 5.913 30 40 IKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1cccc(Cl)c1 409120266 UVOIQQCWNLPTBP-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 409203133 WHHVKJARSXPNJZ-MTDXEUNCSA-N 439.515 6.040 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc([N+](=O)[O-])cc1Cl 409285104 VJPGMNJVCRBZHK-UHFFFAOYSA-N 444.834 5.254 30 40 IKEB O=C(c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243076 WMZRXAHUYQJVMY-UHFFFAOYSA-N 440.155 5.574 30 40 IKEB C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@@H]2[C@H]1C(=O)C1=C[C@@](CC(C)C)(OC)NC1=O 1086455205 XLZMSDIJSDSYBH-NQDQQYNVSA-N 427.629 5.602 30 40 IKEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc3c(cc2Cl)OCO3)ccc1O 1436652 RVCBPTVHADRZLR-BRJLIKDPSA-N 435.867 5.238 30 40 IKEB N#Cc1c(NC(=O)c2cc(-c3ccc(Br)cc3)on2)sc2c1CCCC2 9597814 CWGNRVQEEKGUTE-UHFFFAOYSA-N 428.311 5.168 30 40 IKEB C/C(=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Br)cc1 13302178 FVURSRYHKVPRHL-WGOQTCKBSA-N 444.336 5.804 30 40 IKEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)n2)cc1 15913403 SVZKTCCJKZTOHB-UHFFFAOYSA-N 447.520 5.223 30 40 IKEB N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2ccc(-c4cccc(C(F)(F)F)c4)c(=O)n2C3)c1 20503178 RUGKOQPXWACUPI-PZJWPPBQSA-N 449.476 5.025 30 40 IKEB biogenic,in-vitro CC1(C)CC(=O)C2=C(C1)Nc1c(NC(=O)c3ccccc3)cnn1[C@@H]2c1ccc(Cl)cc1 27562064 LEPOKOHCWPBDRU-JOCHJYFZSA-N 446.938 5.447 30 40 IKEB CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3cccs3)N3CCOCC3)o2)CC1 27794211 LCHRUEYCJUTOMK-GZNCHQMQSA-N 442.629 5.557 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccc(F)cc4)c3C)C1=O)cn2C 28182464 IEEHTOCTIXMTFH-ROTLSHHCSA-N 443.474 5.830 30 40 IKEB CN(C)/C=C(\C=N\OCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 29763493 KVNRFIPNOSZIIP-WGHUKIIISA-N 447.771 5.026 30 40 IKEB C=CCn1c(SCc2cn3cc(C)ccc3n2)nnc1-c1ccc(Br)cc1 30635961 BPPSAVDYVLKQNX-UHFFFAOYSA-N 440.370 5.142 30 40 IKEB COc1ccc(/C=N/Nc2nc(C)nc3sc(-c4ccccc4)cc23)c(OC)c1OC 33045713 ALLHVBIXQIIZRL-ZMOGYAJESA-N 434.521 5.139 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1Cl)c1cccs1 85409838 REPMWPWILFOHQX-AWEZNQCLSA-N 437.329 5.294 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3c[nH]c4ccccc34)S/C2=N/c2ccccc2)cc1 100236185 PXCYRMCBCGIPEI-IIZUOHISSA-N 439.540 5.981 30 40 IKEB Cc1ccc(/C=N/N=C2/c3ccccc3C(=O)[C@@H]2C(=O)C(c2ccccc2)c2ccccc2)o1 100562996 FKVYXZYTHRLFEK-WHEGXDIJSA-N 446.506 5.625 30 40 IKEB CCn1c(N/N=C/c2ccccc2OCc2ccc(Br)cc2)nc2ccccc21 408692873 XHVMBHVXMZTHAF-MFKUBSTISA-N 449.352 5.844 30 40 IKEB Oc1ccc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 408718645 NXRRQNGEFOKMOH-VHPZECMTSA-N 444.578 7.020 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)S2)c1 408788413 FKHYJSWQQQWAJW-BWAHOGKJSA-N 449.579 6.653 30 40 IKEB FC(F)(F)c1ccc(N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408932349 WARURFUSRLLZSZ-PPDIBHTLSA-N 439.264 7.037 30 40 IKEB C=CCN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O 409135974 WZBBVMUUFFXWSQ-JAIQZWGSSA-N 426.900 5.704 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 409217308 OWTQQPJDMWTIKI-ZVHZXABRSA-N 445.924 5.184 30 40 IKEB CCOc1cc(Br)cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)c1O 793626 JNBIEMQRDSODHT-SSDVNMTOSA-N 446.370 5.795 30 40 IKEB O=C(Nc1nc(-c2ccccc2)cs1)/C(=N/Nc1ccccc1)C(=O)c1ccccc1 2075456 VFHXAXBDXWKNHW-SGWCAAJKSA-N 426.501 5.100 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1C 8820816 CRKUKOAHJQEZTE-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)s2)C2=C(C[C@H](c3cccs3)CC2=O)N1 9113493 VVLLUTNDRUIFPM-QMHKHESXSA-N 441.618 5.679 30 40 IKEB CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CC[C@@H](C)C3)cc1 9907619 FCEQIHZOIAIOKH-WJGWSCHNSA-N 436.552 6.414 30 40 IKEB COC(=O)c1ccc(COc2ccc(/C=N/Nc3ccc(C)c(Cl)c3)cc2OC)cc1 12564599 KRXZKDOKNSYVFQ-VULFUBBASA-N 438.911 5.469 30 40 IKEB O=C(C[C@@H]1S/C(=N/c2ccccc2C(F)(F)F)NC1=O)Nc1cccc2ccccc12 13096838 DMACXYKQWQVMDO-SFHVURJKSA-N 443.450 5.107 30 40 IKEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 14091495 VZEJRSQHIYFFAP-UHFFFAOYSA-N 433.364 5.093 30 40 IKEB Clc1ccc(COc2cccc(/C=N/c3ccc(Br)cc3)c2)c(Cl)c1 16399590 QOKDXBJCLFODJQ-WYMPLXKRSA-N 435.148 7.086 30 40 IKEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nc(O)c32)cc1 17041229 DGXCFJFAVRPPGK-HXUWFJFHSA-N 429.545 5.347 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3)c2C#N)C1 17097782 GDTAVYAIQHWFMK-CYBMUJFWSA-N 432.014 5.551 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3cc(F)ccc3S2(=O)=O)cc1 32984460 SSTBRFMGUOPBHP-UHFFFAOYSA-N 441.455 5.013 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1 33370661 RNOMVWFMSJPPAI-YUMHPJSZSA-N 432.520 5.270 30 40 IKEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(-c3cc(Cl)ccc3C)o2)c1[N+](=O)[O-] 33439013 MMFPURQRQIDMDA-FNORWQNLSA-N 425.828 5.106 30 40 IKEB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1 84687082 JXLFGOSYBSSLLA-UGSOOPFHSA-N 435.936 5.787 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)S(=O)(=O)c1ccccc1 224372145 UXPAGXGXNTWEAY-UHFFFAOYSA-N 440.952 5.282 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC 408933466 ADFRWNKVJFMONB-GCEYBUITSA-N 448.566 6.674 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C/c2ccc(Br)s2)sc2c1CCCC2 408991513 YAODFLBDIHMJDG-SSDVNMTOSA-N 449.395 5.725 30 40 IKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(Cl)cc1 409073520 QBEPMADSNGVIRD-CVKSISIWSA-N 436.895 6.315 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 409218892 XUYWWUIMNKBAFU-UVHMKAGCSA-N 448.777 7.684 30 40 IKEB CN(C)c1ccc2c(c1)S/C(=C\C1=CC(=C3C(=O)c4ccccc4C3=O)CCC1)N2C 685944227 DXHVINZQNLGCDG-UCQKPKSFSA-N 428.557 5.622 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)[nH]c2ccccc12 1531242382 FOZCORVXIOJEJF-ZMOGYAJESA-N 437.341 5.174 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)CC(=O)C[C@H]43)C2)cc1 2049238342 IFADLLNZMJESQF-YNNGBMDTSA-N 444.637 5.681 30 40 IKEB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc4c(c2)OCO4)C3)s1 678593 HTMLOCJJKALHQD-IVCQMTBJSA-N 430.529 5.765 30 40 IKEB CCOc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1 2073699 DMVNZPBABRIATL-HXNPFYCNSA-N 428.557 6.511 30 40 IKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(C)cc2)[C@@H]3c2ccccc2)cc1 3133494 JYQLFXRCUAMMQO-RBRLEXCSSA-N 432.519 7.208 30 40 IKEB Clc1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3s2)c(Cl)c1 4133067 VGRAYMLUGFWSIZ-WYMPLXKRSA-N 428.344 6.628 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2C#N)cc1 8441105 COOYHJOIGRQXBC-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB CCOC(=O)/C(=N\c1ccc(SC(F)F)cc1)NNc1cc(Cl)ccc1Cl 12524545 BTAIVLXZWKTZQO-UHFFFAOYSA-N 434.295 5.518 30 40 IKEB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1Cl 13914184 AARDTOBHCWYFIL-OAQYLSRUSA-N 449.334 5.188 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(C)c1C 14117841 DXOJZEAZGPUEAM-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(-c5cc(Cl)ccc5Cl)o4)ccc3o2)cc1 14920795 IUFAPFHCQSRGAP-CCVNUDIWSA-N 447.321 8.121 30 40 IKEB CN(C)c1ccc(/C=C/C(=O)c2ccc3c(=O)n4c5ccccc5nc4c4cccc2c34)cc1 19142472 SVAOKHZJZDJQKS-SFQUDFHCSA-N 443.506 5.554 30 40 IKEB O=C1N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H](N2CCCC2)C12CCCCC2 33435808 WOMTWXKWWUQOJQ-FCJYXDMMSA-N 445.651 5.815 30 40 IKEB COc1ccc(-c2ccc(/C=C3\S/C(=N\c4cc(C)ccc4C)NC3=O)o2)c([N+](=O)[O-])c1 59459448 GBIKQFFULQIBRV-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB C=CCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs/c1=N/c1ccc(C)cc1 103437177 WGGDGPOSHQUTFQ-AZPGRJICSA-N 434.649 7.244 30 40 IKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2C(C)=CC1(C)C 198160730 RHQGYWJJWOKEPY-VUTHCHCSSA-N 426.560 7.260 30 40 IKEB C[C@@]12CC[C@@]3(C)[C@]4(C)C/C(=C\c5ccncc5)C(=O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 252485556 GYTNBVPAHRXQRC-LKYGVHNBSA-N 435.652 6.608 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(OC)c1OC 408911007 IOEJMQKOYMUREX-XHFTXJRRSA-N 440.565 5.281 30 40 IKEB Cc1ccc2c(c1)c(/C=N\Nc1c(F)c(F)c(F)c(F)c1F)c(C)n2Cc1ccccc1 409041783 VPQHIKHAWLYNIX-OHUIHDMLSA-N 443.419 6.448 30 40 IKEB CC(C)COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 409046106 IOJMFSUVKUDFSC-UHFFFAOYSA-N 435.347 6.156 30 40 IKEB CN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=Nc1ccccc1 409071860 QETJQGXHABHTOP-XOLKAKTPSA-N 436.989 6.725 30 40 IKEB O=C(Cn1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21)Nc1ccccc1 409118351 QCMOENHGYRMWDY-KVSWJAHQSA-N 437.425 5.140 30 40 IKEB C=CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3c(CC)cccc23)C1=O 409128765 SJUPAEVFEQLLKQ-BKUYFWCQSA-N 436.964 6.128 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 409214710 XWAGROQSDFKYFZ-KKMKTNMSSA-N 448.828 7.427 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)cc(OCC)c1O 2174505 SNMGRZFHHGGUDW-UNOMPAQXSA-N 428.941 5.373 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F 2727245 MYDTUXQZYKGFBP-NSYGIPOTSA-N 449.522 5.149 30 40 IKEB CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)O3)cc1 3627582 ZMKZYYHUVDWHTH-UHSQPCAPSA-N 447.534 6.847 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccccc1 8818142 MFMWGLPWFDZYFX-HXUWFJFHSA-N 430.460 5.218 30 40 IKEB Cc1cccc(CSc2nc(-c3cccc(C(F)(F)F)c3)c3c(c2C#N)CCCC3)c1 8857423 KYUYEIGITKLQGZ-UHFFFAOYSA-N 438.518 7.119 30 40 IKEB C[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)NC1(C#N)CCCCC1 8898423 UCJUQURNBJFVOV-CQSZACIVSA-N 442.635 5.690 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 9008481 YURCHJWWJHELMJ-HXUWFJFHSA-N 448.475 5.428 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2F)cc1 9271493 UUYCYWLPNAIMEE-NRFANRHFSA-N 444.487 5.527 30 40 IKEB O=C(/N=C1\c2ccccc2CN1c1cccc(Cl)c1)c1ccc(Br)cc1 12524117 OZFDOSFYCINZRR-HIXSDJFHSA-N 425.713 5.710 30 40 IKEB C=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)S(=O)(=O)c1cccc(Cl)c1 12860112 GCPKKJJCRNCAHT-UHFFFAOYSA-N 449.016 5.402 30 40 IKEB CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S1 12995505 DGCYXZULYTTZCP-NRFANRHFSA-N 431.561 5.213 30 40 IKEB Cc1cc(C)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C(=O)O)c2)cc1C 13193809 UNZDKZVMMLSICX-OAQYLSRUSA-N 447.512 5.154 30 40 IKEB O=C(Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1)c1ccc(OC(F)F)cc1 14359758 ZNRKPXHGFKQTEU-SDNWHVSQSA-N 434.394 6.150 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)c1 15133603 BOHNEPSDQJEYSL-SSDVNMTOSA-N 438.237 5.622 30 40 IKEB N#Cc1ccc(Cc2cnc(NC(=O)COC(c3ccccc3)c3ccccc3)s2)cc1 32907003 QWQNYFXAMTYCHY-UHFFFAOYSA-N 439.540 5.350 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1cccc(Cl)c1 36020650 QEAYPERBFWMVJB-UHFFFAOYSA-N 447.966 6.102 30 40 IKEB CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71784706 WVXXEBLHRGPWQV-PYGBUKNPSA-N 446.635 6.498 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1cccc2ccccc12 97405307 UXJFJMSIQZUTRE-DIQLGICBSA-N 447.585 5.842 30 40 IKEB CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 97954776 HLPJGEFAZYYPTN-NRFANRHFSA-N 433.596 6.316 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1Cl 100418548 OJVLJJZJOORUKG-IBGZPJMESA-N 434.879 5.186 30 40 IKEB Fc1cccc(CSC2=Nc3ccccc3/C2=N/Nc2cccc(C(F)(F)F)c2)c1 100915908 XWPSYXLBXQCZBR-BRPDVVIDSA-N 429.442 6.638 30 40 IKEB C=CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(OC)cc1 224863239 SUEOOSBOKUDSSH-UHFFFAOYSA-N 437.605 5.544 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)cc1 244947650 DUORJTVBVQJQNS-NRSKXHDUSA-N 448.691 8.874 30 40 IKEB biogenic O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1ccccc1F 408530537 MHBIPOFSHGNLDJ-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(Cl)cc1Cl 408750935 UGOGYTSLODJSNX-VROXFSQNSA-N 447.278 5.330 30 40 IKEB O=C1C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)c2ccccc21 408909714 IFFADTHLHCJLQK-UHFFFAOYSA-N 437.264 5.630 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cc(Cl)cc(Cl)c1 408924758 OGFPCFXUCSDDNJ-LSHDLFTRSA-N 448.266 5.663 30 40 IKEB CCCN1C(=O)[C@H](Cc2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(OCC)cc1 409161217 KZOPOCHMTUZICV-YVURAWIMSA-N 432.973 5.332 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(C)cc(C)c4)NC3=O)c2C)cc1 409187052 LKBJDFFVHBYHNX-IWIPYMOSSA-N 445.588 6.001 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1C 409212891 RZGDWTKDYCEDBT-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 2062864 FHKIVRHVEDXIOA-UHFFFAOYSA-N 434.319 5.921 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2c2ccc(C)cc2)cc1 2092500 YWMICQGFRCHBFS-YZYICMKNSA-N 439.540 5.459 30 40 IKEB C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O 2965042 PJLWIOJMHAQWLI-ZHZULCJRSA-N 445.993 5.357 30 40 IKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1csc(-c2ccccc2)n1 3274545 RWLAVUPHRFOZPD-UHFFFAOYSA-N 448.617 6.021 30 40 IKEB N#Cc1ccc(COC(=O)c2cc(-c3ccc(OC(F)F)cc3)nc3ccccc23)cc1 3363194 YSOBXKNBLPPNSY-UHFFFAOYSA-N 430.410 5.732 30 40 IKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O 8791187 KOEWWJHCGXOYSZ-QQAHGDJHSA-N 430.887 6.243 30 40 IKEB biogenic CCCC(=O)C1=C(Nc2ccc(/N=N/c3ccccc3)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O 8926410 PZYULESMBJJFGN-XHWLHZJSSA-N 447.535 5.925 30 40 IKEB COc1cc2c(cc1OC)/C(=C/C(=O)c1cc(-c3cccs3)nc3ccccc13)NCC2 9058988 BMVIHEOIHXECFC-QNGOZBTKSA-N 442.540 5.350 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9380265 QRNLQRUOYZBTQK-NRFANRHFSA-N 448.862 5.340 30 40 IKEB C=CCn1cnnc1SCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 9577132 NHAPYFBWVXKRRM-UHFFFAOYSA-N 433.990 5.168 30 40 IKEB CC/C(=N\Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(OC)c(OC)c1 13147598 XJHLFKIQFBQJLO-ZXVVBBHZSA-N 432.549 5.910 30 40 IKEB C#CCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1OCC 16688870 IBBXSOAAYSHZEW-OCKHKDLRSA-N 429.303 5.210 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3cc([N+](=O)[O-])ccc3O)sc2-c2ccccc2)cc1 59484294 ZFKSRGWFXVNJFT-ZVHZXABRSA-N 430.489 5.845 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1Cl 102930990 HJHGJWDSOMTVAL-JBCNATCCSA-N 438.310 5.928 30 40 IKEB CN1CCc2c(sc(/N=C/c3ccc(OCc4c(F)cccc4Cl)cc3)c2C#N)C1 408600525 CLXUUINVUNADMY-KKMKTNMSSA-N 439.943 5.730 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OCC 408933467 ADFRWNKVJFMONB-ZQEIKDJDSA-N 448.566 6.674 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OCC)c(OC)cc3Cl)S2)cc1 408954329 SNHHHGSYTXGIGT-YBFXNURJSA-N 432.929 5.038 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1OC 709640 MTEXHNHGKQLPMQ-XRHLQHRESA-N 442.515 5.389 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O 864765 TWHKLDDIONUDGJ-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB CC[N+](CC)(CCC#C[C@@](O)(c1ccccc1)C1CCCCC1)Cc1ccccc1Cl 1852612 MSFRWYPMVGNGCP-MUUNZHRXSA-N 439.063 6.558 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 1862792 RTKIPTOFFIZMLM-YSURURNPSA-N 447.682 6.178 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(-c4ccccc4)noc3C)c2C#N)C1 2757210 WGRKUFMHQURTPG-KRWDZBQOSA-N 433.577 6.377 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 3066652 ZFOWWLRIFKXTPI-YCPBAFNGSA-N 435.669 7.050 30 40 IKEB N#Cc1c(-c2ccc(Br)cc2)c(/C=C/c2ccccc2)nn1-c1ccccc1 8438089 VINKLNLSNHREPZ-LFIBNONCSA-N 426.317 6.344 30 40 IKEB CCCCCCCCCCCCCCCCCCn1c(-c2ccccc2)nc2ccccc21 8440028 KFBOERZAXRBGNF-UHFFFAOYSA-N 446.723 9.965 30 40 IKEB CC1=C/C(=N/Nc2ccccc2)[C@H](C(O)(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 17002754 PCAIZXFSAQUOMS-ASBHVJNYSA-N 427.269 5.841 30 40 IKEB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N/Nc1ccc(Cl)cc1Cl 17106713 OTRHENSUVFJNDC-JXJIOSSYSA-N 444.233 8.752 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccc(F)c1 17124854 VQABUBVJJRBHPY-HXUWFJFHSA-N 432.417 5.531 30 40 IKEB COc1cc2c(cc1OC)[C@H](c1sccc1C)C1=C(C[C@H](c3cccs3)CC1=O)N2 18200056 HZZDGHGPDKORAN-FPTDNZKUSA-N 437.586 6.093 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1 48303093 YGQOEVZOLKDXFJ-VMPITWQZSA-N 428.315 5.986 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(C)=O)OC(C)=O 85480146 WSYNAKWAAXYNMW-DEOSSOPVSA-N 442.637 6.286 30 40 IKEB in-man CC(C)(C)[C@@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccc(Cl)cc1 96579892 OTFAKJFWVGHUCT-AWEZNQCLSA-N 448.766 5.110 30 40 IKEB CCCCC(NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)=C1C(=O)CCCC1=O 100140090 BHBCTKGYSXMASL-UHFFFAOYSA-N 436.474 5.273 30 40 IKEB CCOC(=O)c1ccc(N/C=C2\C(=O)c3ccccc3-c3oc(C)c(C(=O)OCC)c32)cc1 100834827 TUZIYLWJFSRREK-ZHZULCJRSA-N 445.471 5.258 30 40 IKEB CCCCCCCCCCOc1ccc(C(=O)Nc2cccc(C3OCCO3)c2)cc1 103765062 ILSLUMUUGYZZLJ-UHFFFAOYSA-N 425.569 6.504 30 40 IKEB CCO/C(=N/c1ccc(F)cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 104229394 MZKZHUWRLRTRIV-IKPAITLHSA-N 441.571 7.575 30 40 IKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]21C 123290147 CYPQELKXBYBDOE-GEAQWMIGSA-N 446.628 5.154 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)c(Br)c1 408740820 MXNXKRMFKCLYDQ-WYMPLXKRSA-N 425.351 6.580 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccc(Cl)cc1Cl 408755145 YWYGDIKXOQDPSW-LHHJGKSTSA-N 428.684 5.447 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-] 408861066 LZBKFSOBAJHIJF-GXIWEOKRSA-N 435.549 6.086 30 40 IKEB CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408869933 RCRZKSMDSHAECJ-QBPOCAQUSA-N 448.588 6.046 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)S2)c(C)c1 408960108 BUJKYKGYIFXFOB-MTJSOVHGSA-N 432.501 5.462 30 40 IKEB CCOc1cc(/C=N/O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409004672 BECPRMUUFURELU-LQKURTRISA-N 448.563 5.379 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1CNc1cc(Cl)ccc1C 409110006 PILDUEWAOPSGCF-UHFFFAOYSA-N 443.566 5.798 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1Br 409125629 ADVRDVDWINCDPV-UHFFFAOYSA-N 425.164 6.005 30 40 IKEB Cc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)cc1C 409214138 WGBMMJKKUAEPTK-CVKSISIWSA-N 441.443 6.816 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 409232968 JGQZYKGHNOTYJO-HMHKGCENSA-N 430.957 5.726 30 40 IKEB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)o1 409239643 HVYXNONYVFYPEM-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB Cc1ccc(-n2c(C)cc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)c2C)cc1 409292392 GOMUSGJPBNILLW-UHFFFAOYSA-N 449.352 5.066 30 40 IKEB CCOc1cc(C)c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1C(C)C 409401734 BXHXMODQSHSCQH-UHFFFAOYSA-N 425.532 5.776 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 2276668 NRXWTULIFTWMEG-WCQPBMKCSA-N 431.561 5.483 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2398392 XSTAOZJOICHLTM-UHFFFAOYSA-N 439.563 5.816 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)c1C 8820814 RRJMCIZLSBXODZ-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8821095 CFAGCRWORMONID-VCHYOVAHSA-N 443.843 5.539 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccc(Cl)cc1 9034206 NDPSVOLUTWUQOG-XODNFHPESA-N 441.749 7.093 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1cccc(C#N)c1 9197129 VCQKWLYBMXOYHX-UVHMKAGCSA-N 440.330 5.576 30 40 IKEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 9360095 VMOSPCSOWBEFCJ-TYTZFVCUSA-N 428.532 5.038 30 40 IKEB C=CCn1c(S[C@@H](C)C(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 12819698 WGDMCVSGBWVNKH-INIZCTEOSA-N 438.984 5.245 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 12868537 FVWJYYTZTCVBKE-KIBNYLIHSA-N 442.728 6.997 30 40 IKEB biogenic N#Cc1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2c(c1C(F)(F)F)CCC2 12956980 YNZDFIHWWPTZJW-UHFFFAOYSA-N 445.388 5.210 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1cccc(Cl)c1 16268114 LVMQXJCQUZXOLC-IBGZPJMESA-N 444.749 7.255 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc(O)cc3)sc2NC(=O)c2ccccc2)cc1 27015998 PRLGQWVAXSSDPZ-MFKUBSTISA-N 428.517 5.522 30 40 IKEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2cccc(OC)c2OC)n1 29599343 CABMPJQPOOZFME-UHFFFAOYSA-N 434.970 5.371 30 40 IKEB COc1cc(/C=N\Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1 32705944 MPJNJIKXLRADTI-OYKKKHCWSA-N 425.326 5.791 30 40 IKEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Sc2ccccc2)cc1 32828685 WCNUAQCIHVQXMH-NRFANRHFSA-N 431.542 5.128 30 40 IKEB C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1C(=C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C 39205827 TWBVZVAEDWRAJO-VJIFFPPFSA-N 438.696 7.722 30 40 IKEB COc1cc(C)c(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc1C(C)C 59566961 ILOOOYKNFXCUQL-ZDLGFXPLSA-N 435.376 6.325 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123264187 JVBJMRIVVNLPKI-SDEZJNLBSA-N 433.677 6.024 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1Cl)C2=O 257345319 FYAPPFWDCSJLLT-YVRXYUDQSA-N 445.430 6.880 30 40 IKEB Cc1cc(I)ccc1N/C=C/C(=O)c1ccc(Cl)cc1Cl 408563975 TUTODPOCAHTTJP-VOTSOKGWSA-N 432.088 5.715 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3n2CC)cc(Br)c1OCC 408692512 ODWSIDLJYOAJIZ-LPYMAVHISA-N 431.334 5.062 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c1O 408907679 ORQUAXHBDBMNGR-OOBUQPIISA-N 430.529 5.766 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1O 408934597 BKOAEVMCLLJQFL-BHCKABGOSA-N 430.935 6.631 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)SC(=Nc2ccccc2)N1Cc1ccco1 409066242 MNBUIHPEIINTPT-WNOHRPASSA-N 447.535 5.823 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1 409094950 GPQLBSQFJUDSDO-LUOAPIJWSA-N 435.833 5.787 30 40 IKEB CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 409133832 QPDAKDIPRXEYBT-UHFFFAOYSA-N 427.500 5.514 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409217128 SCQPFIBRMFUWPU-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1cccc([N+](=O)[O-])c1 409295060 CYBMHOFYFQKGKW-UHFFFAOYSA-N 441.491 5.025 30 40 IKEB O=C(O)c1cccc(-c2ccc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)o2)c1 409299761 VFDULFDEONPJBZ-UHFFFAOYSA-N 441.487 5.285 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(Cl)c3)cc12 409304090 IYPMWSDAILLWBX-UHFFFAOYSA-N 429.863 5.354 30 40 IKEB O=C(/C(=C\Nc1ccc(I)cc1)c1ccccc1)c1ccccc1 4235495 DOYMYNWPRVWMDR-HKWRFOASSA-N 425.269 5.627 30 40 IKEB COc1ccc(Br)cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 8832429 MKLVJALZGDBHLH-GFCCVEGCSA-N 447.398 5.794 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\c1ccccc1 9304636 CZQLAKQHNHBYLF-PSYZWBJOSA-N 432.501 5.659 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1 9488028 ODYMRBPZHOQQTA-FQRUVTKNSA-N 447.534 5.699 30 40 IKEB CCOC(=O)c1cc(Cl)c(OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c(Cl)c1 12523089 BTMOOIHWOSPSKB-UDWIEESQSA-N 448.346 5.430 30 40 IKEB Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 12583709 RAPDFXNYVICRSI-NRFANRHFSA-N 441.428 5.903 30 40 IKEB Cc1ccc([C@@H]2N=C(SCc3cccc(Cl)c3)NC3=C2C(=O)c2ccccc23)cc1 12954679 XZEGGEUKVUWRCR-QFIPXVFZSA-N 430.960 6.190 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(C)c1C 14133419 WTPFRBCSTMFAPT-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)cc1OC 15945641 PLJVIQLKUKORMK-DHRITJCHSA-N 440.952 5.910 30 40 IKEB Fc1ccccc1Cn1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc21 16450199 OCLZJAXSUFFYAO-GESPGMLMSA-N 433.355 5.970 30 40 IKEB CCCCC1=C(c2ccccc2)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 17005289 WAMYHIVYSOOYFB-IMVLJIQESA-N 442.475 6.434 30 40 IKEB N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2c(-c4cc5ccccc5s4)ccc(=O)n2C3)c1 20503405 GOZYSCIQDPWWES-RBBKRZOGSA-N 437.568 5.221 30 40 IKEB biogenic,in-vitro Cc1ccc(Cl)cc1N/C=C1\C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 20558894 DVKRFLKWEPFIRQ-HYARGMPZSA-N 438.936 5.135 30 40 IKEB Cc1ccc(-c2csc3ncnc(N4CCN([C@H](C#N)c5ccc(F)cc5)CC4)c23)cc1 23983742 XRKHPOPNBJWBCF-JOCHJYFZSA-N 443.551 5.193 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4OC)c3C)C2=O)c2ccccc21 28182520 KPFGZUKGBBDUER-YSMPRRRNSA-N 439.511 6.173 30 40 IKEB C=CCn1c(SCc2ccccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 33739549 HTHSZIDWDMDZML-CQSZACIVSA-N 447.391 5.554 30 40 IKEB CCCCCCCCCC(=O)Nc1cc(OC)c(C(=O)Nc2ccccc2)cc1Cl 101539476 JIUIPRXZADKPSW-UHFFFAOYSA-N 430.976 6.680 30 40 IKEB O=C(O)[C@H](CSC(c1ccccc1)c1ccccc1)/N=C\c1c(O)ccc2ccccc12 104117530 VYRZOJFIXYKXLK-VNIQIGACSA-N 441.552 5.940 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)s1 136765655 QZLRWJMYVFDXQI-AWQJBHPZSA-N 442.997 5.579 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 408884600 ZUTFOBKNGJCUAA-LSHDLFTRSA-N 448.266 5.663 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 409201425 MZBCTRAFPPJHEJ-JFLMPSFJSA-N 427.903 6.606 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 409214361 XCKDLOUNUOCGFA-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc4c3[C@@H](CC(C)C)CC(=O)O4)C1=O)cn2C 1082732904 BOVLCVNHEUDVOJ-GTQIFZCBSA-N 431.488 5.242 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S 2847999 COVOOJUONFCUBA-WQRHYEAKSA-N 436.385 5.960 30 40 IKEB CCCCCCCCC(=O)N1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1 3031173 URBRZOUUAHDLGU-HSZRJFAPSA-N 444.369 6.260 30 40 IKEB C=CCN/C(S)=N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 8798169 BDKXCPUGBGLTEF-WYMPLXKRSA-N 438.380 5.366 30 40 IKEB CCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 8820964 KUWJVYINDVGHFG-UDWIEESQSA-N 443.355 6.707 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 8820992 HCSVOGICNPNFHN-YBFXNURJSA-N 429.328 6.453 30 40 IKEB CCCCCOc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 11992307 QMMJOUNOUDAUQC-OEAKJJBVSA-N 444.398 6.588 30 40 IKEB Cc1cc(C)nc(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)n1 12490257 XXTIGLASAZNJKB-RDRPBHBLSA-N 444.542 6.059 30 40 IKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 12957282 AAXBJIIEUWCKJE-XCVCLJGOSA-N 438.232 7.096 30 40 IKEB COc1ccc(CN(CCC#N)CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC 13510505 RRSOUPVPFREUEZ-SXDGJLEOSA-N 449.639 5.108 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 13569452 WRRZDJSSYKHCQI-JOCHJYFZSA-N 440.524 5.642 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 14126881 BPTSCUYGDMWIQC-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\c1cc(C)ccc1C 17084976 JKBFETATFPMYJS-HZYJKNPPSA-N 441.984 5.412 30 40 IKEB COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(Br)cc1 20761232 NAKWUYHMETWDKQ-MFKUBSTISA-N 425.326 5.160 30 40 IKEB CCCOC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CC/C2=C/c1ccccc1 31934207 ACCFKNZQUIQRHI-PGMHBOJBSA-N 440.568 6.152 30 40 IKEB CCCCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 97995857 SEMPRYUCDMYPCP-UHFFFAOYSA-N 430.972 6.899 30 40 IKEB CCCCCCCc1nc(C#N)c(N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)o1 101411364 GZMCJAKJSKURQJ-MTDXEUNCSA-N 446.551 6.093 30 40 IKEB Fc1ccc(/C=N/n2c(-c3cc4ccccc4o3)cs/c2=N/c2ccc(F)cc2)cc1 103371937 AVZJUNQHESNZDR-CFWSEZGPSA-N 431.467 6.356 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccccc1/N=C/c1cccnc1Cl 215719560 PGTXYAHKAXNBKU-PBEVGHANSA-N 444.387 6.567 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@]1(C)CCC(=O)O 257534101 RPPYCVULPFKBOG-NSSQELSKSA-N 440.712 8.285 30 40 IKEB biogenic C=CCOc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408562538 ACCQQFAXIHLPTF-SANMLTNESA-N 444.556 5.278 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)ccc1O 408905408 ABTCKISUNBXZTK-KWPJTZOTSA-N 444.556 5.638 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409107114 UZFWYVBZGNEYCS-OPVMPGTRSA-N 444.196 6.626 30 40 IKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1cccc(Cl)c1 409114645 IUBODGVYDDYNAJ-UHFFFAOYSA-N 435.995 7.221 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409200849 JPQNQTXQHDKWHA-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1ccccc1C(=O)O 409212605 QWBVVUDYKBLENT-UUYOSTAYSA-N 444.272 5.148 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 2332241756 JYDNKGUBLIKNAM-RPLJJSTGSA-N 440.712 7.205 30 40 IKEB CC1(C)OB(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C 2362804752 LILSOUBYWPFKOI-UHFFFAOYSA-N 435.336 5.172 30 40 IKEB CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 2790103 SVDISBPHDAEEKQ-QPSGOUHRSA-N 433.267 5.299 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc(C)c2)C1=O 9311710 KHDQWVJXNZMYPA-UNOMPAQXSA-N 442.334 5.006 30 40 IKEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 9375076 DPXYSGGAJFIYSL-OAQYLSRUSA-N 441.955 5.252 30 40 IKEB CC(C)(C)NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2 9420591 FBNASVVGMBAFSK-GFCCVEGCSA-N 427.536 5.130 30 40 IKEB O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)CCC/C1=C\c1ccc(-c2ccc(F)cc2)o1 11690450 RBJJAWPBKHYHSE-NWILIBCHSA-N 442.461 7.705 30 40 IKEB COC(=O)c1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 12462887 CMLPCGAZLNCEMU-RUEDEKBQSA-N 442.540 5.899 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccccc1)N(C(=O)c1cccc3ccccc13)c1ccccc1N2 12652178 GRHIJDUPTQCUDF-LJAQVGFWSA-N 444.534 6.661 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197556 MQOONJYZPNMPEZ-IVCQMTBJSA-N 447.556 5.732 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2F)cc1 100035058 UGPNMLYSRWCZSO-UHFFFAOYSA-N 430.564 6.546 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 100179995 BYHZZGJEKGTRPY-AFUMVMLFSA-N 449.919 6.798 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccc(C)cc2)N(CC)C1=O 100233522 LXYQEMYXQSEUKH-RWBSCQHUSA-N 430.573 6.561 30 40 IKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2)c1O 100248115 GLNVKKZDDYKEOK-UVHMKAGCSA-N 435.829 7.006 30 40 IKEB Cc1c(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c2ccccc2n1Cc1ccccc1 137831598 MEKVIHQEISFVFX-ZVSSNCFVSA-N 429.570 5.872 30 40 IKEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1C(F)(F)F 225954440 DMUBFHMVIHMHCT-UHFFFAOYSA-N 439.405 5.100 30 40 IKEB FC(F)(F)Cn1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)n1 252509563 YQNFQAAFJKPTAC-ZNLRHDTNSA-N 448.758 5.021 30 40 IKEB Cc1cc(N=C2NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)cc(C)c1Br 408761101 HUEPTSXWCUJHOQ-PDGQHHTCSA-N 443.410 6.255 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1OC 408974607 FLDPXMCUENOZCA-JVWAILMASA-N 443.572 6.557 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409078502 IKUXOSMKJDNQEU-HJHSVFMCSA-N 426.585 6.687 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C 409202644 SMTRZTAFNPXKGK-UFFVCSGVSA-N 443.566 6.489 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 409219030 ZWZQVIUXTRECPE-DHRITJCHSA-N 425.868 5.385 30 40 IKEB Cc1ccc(Sc2ccc(/C=N\c3ccccc3I)cc2)cc1 409226436 NVEBTXILEVZVBL-HMAPJEAMSA-N 429.326 6.501 30 40 IKEB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 689702 WQIDKWJKTUGALS-OAQYLSRUSA-N 445.321 5.739 30 40 IKEB Brc1cccc(-c2nc3cc(/N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)c1 1924074 PKDUHMHSMTVTIK-MGTGSMBQSA-N 447.288 6.402 30 40 IKEB N#CCCN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 2625268 WXAFOPCKWSYWJM-UHFFFAOYSA-N 430.558 5.397 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)S/C1=N/c1ccc(Cl)cc1 3246582 LVAYEQLTNCFIGP-HLYXTKRYSA-N 438.883 5.192 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 8408086 WNSQAHIRDVOQCU-OEAKJJBVSA-N 425.513 5.337 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 8615978 FKBGHOIYIHEXNW-LJXDPWEESA-N 426.578 5.331 30 40 IKEB COc1ccc2c(c1)NC(C)(C)c1ss/c(=[S+]\Cc3ccc([N+](=O)[O-])cc3)c1-2 8763947 HRVXZLATSANMFB-UHFFFAOYSA-N 431.584 5.869 30 40 IKEB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 8809790 CWPKVJRKDYJFFN-ATYWSCIRSA-N 433.382 7.879 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccccc1 8817534 MFMWGLPWFDZYFX-FQEVSTJZSA-N 430.460 5.218 30 40 IKEB Cc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 8857098 OCXRYRIXDALDHC-VGHNRZQDSA-N 442.317 6.806 30 40 IKEB Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 9373725 VONWDIDJWONXBY-BVZFJXPGSA-N 439.511 5.097 30 40 IKEB Cc1ccc(-c2csc3ncnc(SCC(=O)[C@H](C#N)c4nc(C)cs4)c23)cc1 9788901 HVUPMRPYHFXBLL-HNNXBMFYSA-N 436.587 5.400 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)s1 9805411 PGYRRRXXHPHWPZ-KHHYFDFNSA-N 443.597 6.385 30 40 IKEB COc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccccc4)cs3)cc2)cc1 14257462 FQCNGYOQVQQGIY-MFKUBSTISA-N 429.501 5.484 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1 14273267 DRIRRCKQTROLNF-CQSZACIVSA-N 449.532 6.191 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 16407222 PUCWMQPOZPMPRH-OQLLNIDSSA-N 431.488 5.008 30 40 IKEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 29739386 MZLWSDVEHGNBHU-UHFFFAOYSA-N 431.315 5.094 30 40 IKEB O=C(CO/N=C\c1ccc(OCc2ccccc2)c(Br)c1)Nc1ccccc1 33600262 GUSDNCGJQNVURS-OYKKKHCWSA-N 439.309 5.017 30 40 IKEB Clc1ccc(Sc2oc(/C=N/c3cccc(Cl)c3)cc2Br)cc1 59303379 ZTMASIJQOIWKPX-UFFVCSGVSA-N 427.150 7.251 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 71329375 OESLKRXCBRUCJZ-BUXXFNAFSA-N 442.728 6.996 30 40 IKEB biogenic,in-vitro CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2cccc(Cl)c2)cc1 95101201 JYLJVECKHGUUMG-JVWAILMASA-N 445.906 6.031 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4cccs4)[C@H]3c3ccco3)sc2c1 102802970 FOQLOESFQAVPSU-SELCWUDQSA-N 436.514 5.140 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)sc1C 102873355 GYBJYOPLFFSZRR-SELCWUDQSA-N 442.899 5.179 30 40 IKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)(C)N1C(=O)CCC1=O 104260093 XIWRQRBDFCEUTH-QXMHVHEDSA-N 435.649 6.495 30 40 IKEB F/C(=N/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 114317421 DVQXCHAOWHNHSQ-SSRMDPPWSA-N 433.061 5.613 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4cccc(C)c4)NC3=O)cc2[C@@H](C)CC1(C)C 223578982 ANRPFUXEHRCXCT-PVFDWLMNSA-N 433.621 6.307 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 408737772 XFJADIVNCHNWIT-VULFUBBASA-N 449.963 6.497 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)c(OCc4ccccc4)c3)S2)cc1 408752352 DSPLWHKXNJIGBH-HAHDFKILSA-N 446.528 5.174 30 40 IKEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C(=O)N1C 408928668 DBXKPEWVLCQMMO-YZFSDQBZSA-N 449.551 5.344 30 40 IKEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc(F)c1 409035196 JDXBSKFDMFMVTC-WPDGFUPNSA-N 442.306 5.127 30 40 IKEB CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 409211546 ODFPMHBLLHSJAK-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 409402779 JJKRMBINZRBIBL-UHFFFAOYSA-N 431.495 5.525 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl 1025853 MRAWDBYNPUTKHY-QFIPXVFZSA-N 447.874 5.160 30 40 IKEB Cc1c(C(=O)N(C)C)sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1C#N 2761685 VSSCAJXDBVEWFM-HXUWFJFHSA-N 435.574 5.102 30 40 IKEB CCOc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 3199727 TZQBADPCDPPUGH-UHFFFAOYSA-N 432.483 6.571 30 40 IKEB CC1(C)CC(/N=C2\C=CC3=N[C@@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 4763019 VSDVPTFEBFDIBD-BGPYNXPASA-N 432.656 6.065 30 40 IKEB CCCCCCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12 8432107 CEKKINHLURETBK-UHFFFAOYSA-N 426.611 5.774 30 40 IKEB COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S1 8820751 QIAIKXJFYDBBHU-HAHDFKILSA-N 430.529 5.474 30 40 IKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820960 WXGLCXNNOGAJEL-HYARGMPZSA-N 430.916 6.645 30 40 IKEB Clc1ccc(-c2nc(-c3ccc(C#Cc4ccccc4)cc3)[nH]c2-c2ccccc2)cc1 8854627 QOFMEEJXWKYXJY-UHFFFAOYSA-N 430.938 7.464 30 40 IKEB Cc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 8857097 OCXRYRIXDALDHC-VBSVLOKRSA-N 442.317 6.806 30 40 IKEB Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 9045343 GPTAVQBLQNRPMQ-UHFFFAOYSA-N 439.540 6.228 30 40 IKEB CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 9554177 DLXSERYFGGKXCL-VWLOTQADSA-N 426.472 5.037 30 40 IKEB CCCCCCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCCCCCC)cc2)cc1 12470981 XKEDONQIWMPPPP-JYFOCSDGSA-N 434.620 7.901 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3cccnc23)nnc1-c1ccc(Cl)cc1 12789791 FCBUPLSJXNPJQS-UHFFFAOYSA-N 435.940 5.064 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\[C@@H](C)c1ccccc1 13286474 MADKRYSQLQJOKH-JKKGAUJZSA-N 425.579 5.119 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 14117801 MVTWBDFUGOKVOL-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@H]2c1cccs1 14606473 QOPUNIBTSAKGCW-VWLOTQADSA-N 449.620 5.423 30 40 IKEB N#Cc1cccc(NC(=O)c2ccccc2Sc2ncnc3sc4c(c23)CCC4)c1 15643973 OTBPONODVMGEPA-UHFFFAOYSA-N 428.542 5.455 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 16291614 IDTSPQIBXYVEAG-JXKYSLRESA-N 442.540 5.899 30 40 IKEB Oc1oc(-c2ccccc2)nc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 16492694 LFXBGOBKBABKJQ-WPWMEQJKSA-N 433.471 5.617 30 40 IKEB Cc1cccc(C2C3=C(C[C@@H](c4ccco4)CC3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)c1 19629707 LUOONSUCHMOYNB-RTBURBONSA-N 439.511 5.669 30 40 IKEB O=C(Nc1ccccc1)c1ccc(/N=C/c2ccccc2O)cc1/N=C/c1ccccc1O 21964499 NGTJEGSNLIBESG-POAOKBCDSA-N 435.483 5.851 30 40 IKEB CCCCCCCCCCCc1c(O)c(O)cc2nc3cc(Cl)c(Cl)cc3nc12 85340970 XCHWJSDBTDYRKF-UHFFFAOYSA-N 435.395 7.574 30 40 IKEB biogenic,in-vitro O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Br)cc2)/C1=C(\O)c1ccccc1 100439819 SRZSCRJSEZOMRE-NHFXJNLRSA-N 434.289 5.075 30 40 IKEB C/C=C/CS/C(=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1 101163603 UYJRVIXDNKROQI-JCAHRCEDSA-N 442.971 5.395 30 40 IKEB Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1 408731561 LTTXUKQCXSXCAD-WEMUVCOSSA-N 426.563 8.179 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 408908955 BDCCWXCBKGQCPM-MDISCOTOSA-N 436.939 6.905 30 40 IKEB CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)S/C1=N\c1c(C)cccc1C 408910802 LCLJBHWQLWNYIG-MSBDOUPJSA-N 430.957 5.598 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)S2)cc1 408955607 XWAHFCFFBCWOOJ-HZHRSRAPSA-N 431.561 5.444 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O 408960273 KNLHNANFGSPBBV-BXYLNGANSA-N 447.604 5.378 30 40 IKEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccccc1F 409077578 FZMZGRXNXMOGRS-WQRHYEAKSA-N 437.854 5.411 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1C#N 409102580 BDSVTHQYGGIINA-VFLNYLIXSA-N 440.425 5.396 30 40 IKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccc(Cl)cc1 409117748 OWOUCYGZCSXLTH-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 409145559 IVANHUQVIAPYCA-WOJGMQOQSA-N 447.318 5.050 30 40 IKEB Fc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409209229 HZYMPWKUOWHRCD-STBIYBPSSA-N 431.894 7.601 30 40 IKEB Cc1cc(/C=C2\Cc3ccccc3C2=O)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409369189 HEKOIUOQDFISKX-JJIBRWJFSA-N 434.495 6.492 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(C(C)C)cc1 1531319234 HVVHSLWENNEPJY-GMJSKMFWSA-N 426.358 5.678 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)C(C)C 1439922 BOTROSLQYSNYBY-MHZLTWQESA-N 441.527 6.083 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1 2625389 JHQXBCQJBZPQPA-UHFFFAOYSA-N 440.572 5.453 30 40 IKEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(Cl)cc1Cl 2743198 RWICWDKYSUSCFU-AUWJEWJLSA-N 428.138 5.648 30 40 IKEB Clc1ccc(Cn2cc(/C=N/Nc3nc4ccccc4[nH]3)c3ccccc32)cc1Cl 4108632 BOQXFCVTCKUCLB-RPPGKUMJSA-N 434.330 6.319 30 40 IKEB O=C(/C=C/c1cccs1)c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1 4118397 SLUUZRPTTYEAET-FMIVXFBMSA-N 449.347 5.174 30 40 IKEB CS[C@H]1CCCC[C@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 8443529 QIDCGABYEHXGCU-AHWVRZQESA-N 446.641 6.416 30 40 IKEB C[C@H]1/C(=N\O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 8615617 ZISSOKXBDZMEDP-UDQIVYFLSA-N 441.744 8.718 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9329990 DKCUPIRPNJGSAE-QFIPXVFZSA-N 435.907 5.835 30 40 IKEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 9547441 ZLPCXTIJYXFCFW-AFPJDJCSSA-N 441.266 5.917 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1 13513323 WIQGSZLRYBLWGP-UHFFFAOYSA-N 443.532 5.049 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)c1 13568638 YLNXEHYCYXBHDD-MRDQGFSESA-N 427.504 5.078 30 40 IKEB CCOc1cc(/C=C2\CC/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O 13915531 QQAKAVJMPISDNX-BGPOSVGRSA-N 449.330 6.032 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(CC)cc2)cc1 15018358 YDCLQDJDJSNFFE-NMRWETQTSA-N 430.548 6.759 30 40 IKEB O=C(/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)C(F)(F)F)c1ccccc1 27061911 PALALLIHUDRAIR-SFQUDFHCSA-N 438.323 6.363 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1F 33741383 JELRUXJUKKFLOP-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB COc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1NC(=O)c1cc2ccccc2o1 102417236 ACPASIHTPFJGPU-ZMOGYAJESA-N 431.404 5.058 30 40 IKEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102625862 CDPGZSMPWXGRIE-NHFXJNLRSA-N 442.273 5.759 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(OC)c1OC 106682636 BHVDEPKGIZDYGX-UNOMPAQXSA-N 429.925 5.322 30 40 IKEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC 408758303 IOHCPXQHSPZVHN-JWGURIENSA-N 436.577 5.667 30 40 IKEB Cc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1C#N 408811845 MBAHWQAZVAUSEG-MYYYXRDXSA-N 449.535 6.111 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408906140 HOZYBDYNIDTJDA-CURVLSCQSA-N 440.568 6.098 30 40 IKEB Cc1ccc(COc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2Br)cc1 409083830 WCFORPBNKVSIHB-MOSHPQCFSA-N 448.316 5.681 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409218322 UAIRJBTUFLXOPR-VULFUBBASA-N 438.911 6.593 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2OC)S/C1=N/c1ccc(F)cc1 409240759 HRWBRKSNHISFRK-LRXZINBSSA-N 427.545 5.304 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1-c1ccccn1 409297601 LSNBQIXNVXJBCG-UHFFFAOYSA-N 425.536 5.129 30 40 IKEB Cc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c(Br)c1 1223964 TZDQGUPPHXASNF-UHFFFAOYSA-N 440.366 5.525 30 40 IKEB COc1cc(/C=C2/C(=O)ON=C2c2ccccc2)ccc1OCc1c(F)cccc1Cl 1755795 KBOOIAOTRZIBMM-SFQUDFHCSA-N 437.854 5.411 30 40 IKEB Clc1ccccc1CN/N=C/c1cccc(OCc2ccc(Br)cc2)c1 8811604 IDAZDOLTRVJYQE-ZMOGYAJESA-N 429.745 5.805 30 40 IKEB Cc1ccccc1OCCn1cc(/C=N/NC(=S)NCc2ccccc2)c2ccccc21 8983838 IDTJHOFVYDVESK-MTDXEUNCSA-N 442.588 5.027 30 40 IKEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2ccccc2o1 9329110 ZAPOLNZUDKAKKH-AWEZNQCLSA-N 439.566 5.070 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccc(C)cc4)ccc3C1=O)cn2C 9422914 DMUGLWRDOVUJHV-RPPGKUMJSA-N 425.484 5.691 30 40 IKEB CN(C)/C=N/C(=O)[C@H](c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl 12861374 SMISJDSFXHUEBI-WLXKBATFSA-N 438.664 5.309 30 40 IKEB Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2)cc1 13285661 GLWOQTQRTNGRLD-QDJRPKQISA-N 429.570 6.174 30 40 IKEB O=C(Nc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(Cl)cc1Cl)c1ccccc1 15161975 XWQPFURNIVGXNP-FOKLQQMPSA-N 430.247 5.610 30 40 IKEB CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2sc3c(c2C#N)CCC3)cc1 16161517 YTDWINQFWKKFPV-UHFFFAOYSA-N 428.557 5.720 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 20647295 AZPMQJLSOPGEAK-HMAPJEAMSA-N 448.390 6.717 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)c1 27520687 AUJXYYKQTNPWDC-OYKKKHCWSA-N 439.540 5.646 30 40 IKEB CC(C)c1cccc(C(C)C)c1/N=C(/Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 34827892 GHWACBJMIQWWBC-UHFFFAOYSA-N 440.675 9.371 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccc(C)cc2)cc1 44858804 UQXLGNYKULKNHM-DEOSSOPVSA-N 440.547 5.410 30 40 IKEB N#C[C@@H](C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2)C(=S)Nc1ccccc1 71415887 VAQHLYITMJLBCV-QHCPKHFHSA-N 448.551 5.400 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@H](OCOC)[C@H](COCOC)OC(C)=O 95612022 JOSCSIUPYUMNLZ-GKIAHDCUSA-N 430.626 5.785 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 102805939 ITVKISHVGHKKJA-NHFXJNLRSA-N 434.835 5.009 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)CC(=O)C[C@H]5[C@@H]4CC[C@@H]3C2)cc1 118914902 IFADLLNZMJESQF-XLKHMCNMSA-N 444.637 5.681 30 40 IKEB COc1ccc(OCc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)cc1 223694976 WMHKHSSRCVBRSX-UHFFFAOYSA-N 447.347 5.117 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 224370172 DQFOMZIWKUPMSQ-UHFFFAOYSA-N 442.540 5.473 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)c2ccccc12 408906109 AOKYDTJHJFHNJN-AJGXWLHTSA-N 444.600 6.951 30 40 IKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 408932315 VMEZDIGBIFCWNQ-AJBULDERSA-N 445.566 6.430 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(Cl)c3C)cc2Cl)c1 409199631 CHOYKCANLPFRRG-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1cc(Cl)cc(Br)c1O 989971 OTRJOKXRSCXOLS-YSURURNPSA-N 442.700 6.070 30 40 IKEB O=C(/C=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 2578593 USSVJJXWWABDLJ-VOTSOKGWSA-N 429.269 5.531 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21 9423758 QNSBUEADBQLWEJ-VULFUBBASA-N 439.511 6.173 30 40 IKEB Cc1ccc(-c2nc(CSc3nc(C)c(C(=O)Nc4ccccc4)cc3C#N)no2)cc1 12740043 DZFPANATXOADBJ-UHFFFAOYSA-N 441.516 5.165 30 40 IKEB COc1cc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 18182234 YNYOPHJNYDOHFX-JHXFIANCSA-N 430.529 5.074 30 40 IKEB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1S[C@H](C)CC#N 65453322 PDGJUPCHBQIGPX-MRXNPFEDSA-N 443.576 5.465 30 40 IKEB CCC(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc12)=C1C(=O)CCCC1=O 100139619 QEADHSDIJFXPRF-UHFFFAOYSA-N 430.548 5.174 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NCCOCCCCCCCC 100285230 GLKHOPCHMDXEEH-UHFFFAOYSA-N 439.769 8.741 30 40 IKEB Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(C)C)cc1C 102961086 CMXAGOVCKWZHEI-ZPKJPUMHSA-N 427.545 5.059 30 40 IKEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 104182679 BCDPESCVCNJTCL-WOOAAIBNSA-N 438.936 5.546 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1ccc(Br)cc1)C2=O 118916329 CTGFFXZZHKKDLF-OUJPLRSTSA-N 441.453 7.444 30 40 IKEB C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408934355 AHINBUXXTHOLGT-HGPMORKZSA-N 438.958 6.929 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OC)c1OCc1ccc(F)cc1 409015469 AUJXWJSVYNTSQS-FYJGNVAPSA-N 441.524 5.587 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O 409038589 ABVXBOURXFFBGS-XDHOZWIPSA-N 445.899 5.126 30 40 IKEB Fc1cc(C(F)(F)F)cc(F)c1Oc1ccc(OC(F)(F)F)cc1Br 1504250269 FRCOZFIYUUAVOQ-UHFFFAOYSA-N 437.080 6.437 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 833873 AKIZFOBIXPHFNG-SDHSZQHLSA-N 435.914 5.624 30 40 IKEB CCCCNC(=O)CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2s1 2188048 HJSUGTMSMSAVIU-VULFUBBASA-N 449.601 5.914 30 40 IKEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC1CCCCC1 4427621 UOIHMGVGVVIAEA-LPWJOBEDSA-N 441.656 6.586 30 40 IKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@H]2c1ccco1 6498689 COFDEJPZEYLXTK-QLXKLKPCSA-N 428.488 5.112 30 40 IKEB Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2cccc(Cl)c2)cc1 8951462 DCBHFERBBOPWPG-QQZPLFJDSA-N 449.001 5.344 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccc(F)cc1)OCCCO4 9058674 NVTWLRKJNSNUFL-NRFANRHFSA-N 445.534 5.627 30 40 IKEB CC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O 13618191 OYEUKCYVXSYVKV-NVHJWRPJSA-N 430.371 5.002 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCC#N 13915287 QTZVIHUJQVMZKQ-LSHDLFTRSA-N 443.128 5.503 30 40 IKEB COc1ccc(/N=C\c2ccccc2OC(=O)/C=C/c2ccc(Br)cc2)cc1 14920458 GHBNZLSCLDANPD-YOVYXIJGSA-N 436.305 5.827 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1O 28615389 ICCMDCIAIFKJMN-ZMPCKTLKSA-N 439.606 5.865 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@H]2c1ccc(Cl)cc1 44859233 OOEODYTVDKWZEP-QFIPXVFZSA-N 446.938 5.447 30 40 IKEB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 66091553 GDIKTMXIVDPXNX-VWLOTQADSA-N 444.575 5.555 30 40 IKEB CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1Br 68732083 KZFXJLHNDOQRRG-VWLOTQADSA-N 447.376 6.342 30 40 IKEB CCCCCCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 97998495 FQGWXLBTKCQOBM-UHFFFAOYSA-N 444.579 6.290 30 40 IKEB CCCCCCCCCCCCCCCCCC[n+]1ccc(C(=O)c2ccccc2)cc1 104105194 KMSXEUARMCGMDB-UHFFFAOYSA-N 436.704 8.467 30 40 IKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Br)cc2Br)C1 408563917 SEEYYOAAKIOYGV-YLSINNKHSA-N 429.196 6.313 30 40 IKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(Br)cc1F 408587852 AJBQGIJRRWHWQR-BRJLIKDPSA-N 426.289 5.418 30 40 IKEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(I)cc1 408775085 YTDXSMOJZYDHGS-MTJSOVHGSA-N 445.260 5.358 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 408795466 LUTXLOHCLGEOGT-XMMPIXPASA-N 438.527 5.144 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N2C(C)C)cc1 408911625 KNJKPHLOHCBBIM-FUQOYWQNSA-N 442.584 6.586 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N1C(C)C 409210894 LZNOXKAPUXKRGS-DBOFRQRBSA-N 432.929 5.387 30 40 IKEB CC[C@H](C)n1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc21 409281928 NMDNZHUXYBZOLK-AWEZNQCLSA-N 437.341 5.275 30 40 IKEB COc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c(C)c1 409298945 ONVHCJWVHLVYQX-UHFFFAOYSA-N 437.421 5.282 30 40 IKEB Cc1cc(C)c(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c(C)c1 409302865 GWGZVOSYBHHLMR-UHFFFAOYSA-N 435.449 5.890 30 40 IKEB N#Cc1c(-c2cccs2)cc(C(F)(F)F)nc1SCC(=O)Nc1ccc(F)cc1 1073742 ZRRJACJVQQTVIW-UHFFFAOYSA-N 437.443 5.570 30 40 IKEB CCOc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n23)cc1 6143202 JTJCHXCDPWBXQO-UHFFFAOYSA-N 432.527 6.401 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C1=O)cn2C 9422045 ZFISQKDUXOBPSZ-ZMOGYAJESA-N 445.515 5.597 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccc(Cl)cc1 9500061 VTMLKHLQEKTIMG-UHFFFAOYSA-N 441.000 5.858 30 40 IKEB Cc1ccc(/N=C2\Sc3nc4cc5c(cc4cc3CN2C[C@@H]2CCCO2)OCO5)cc1 13511138 GSAYFZRGXUXTRX-LYEHZDMLSA-N 433.533 5.046 30 40 IKEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OC(=O)C(C)C 13564287 JNKPNWBBZNEBSZ-RUZDIDTESA-N 441.527 5.974 30 40 IKEB COc1ccc(Br)cc1/C=N/n1c(-c2cccc(OC(C)C)c2)n[nH]c1=S 16996125 VFRUECJFSZJOAM-SRZZPIQSSA-N 447.358 5.048 30 40 IKEB S=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1cccc2cc3ccccc3nc12 17314421 RZWAHWAHRUIFCP-WYMPLXKRSA-N 425.344 6.015 30 40 IKEB COc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2OC)cc1 18268054 HFSFGVIBVDLEPX-NQGGHMMCSA-N 434.408 5.021 30 40 IKEB C[C@@H]1C/C(=N\OC(=O)c2cccc(F)c2)c2ccc(OC(=O)c3cccc(F)c3)cc2C1 32116541 WQEDAUFXZCJDGI-NIWCZRKBSA-N 435.426 5.327 30 40 IKEB COC(=O)c1ccc(COc2ccc(/C=C3/CCc4ccccc4C3=O)cc2OC)cc1 33731642 IRKZINSSXVGAGD-JCMHNJIXSA-N 428.484 5.273 30 40 IKEB Cc1cc(F)ccc1N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 84090348 LWRLFWACFVFWBF-RWPZCVJISA-N 438.462 5.539 30 40 IKEB CCCCCCCCNC(=S)Oc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 100045462 RETKVKHLJBLMBZ-UHFFFAOYSA-N 428.598 5.951 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/c1ccc(C)cc1 100499532 JUOPEWHRSWSFMR-ZCGWOIPMSA-N 425.579 5.388 30 40 IKEB CCc1ccc(/N=C2\S/C(=C/c3ccc(OC)c(Br)c3)C(=O)N2C)cc1 101513546 MKGALFJXTVPANF-FTIPTLOASA-N 431.355 5.254 30 40 IKEB COc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 102957934 CFBNYCMQQVCTCH-WYMPLXKRSA-N 443.263 5.064 30 40 IKEB COc1cc(C)c(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1OC 108951174 WGPAVYWTKAYULQ-JTUXUYRKSA-N 442.625 5.950 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 169616278 SPICJYJHSFWNHN-DNVJHFABSA-N 441.943 5.686 30 40 IKEB Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1Cl 408593086 OWHOQLPICHBLMA-VULFUBBASA-N 433.895 6.110 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)S2)cc1 408754046 LQRQRKFLRSYMNO-BKUYFWCQSA-N 449.488 5.317 30 40 IKEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408809490 ODJIZWGZWRYXMO-XMHGGMMESA-N 446.890 5.033 30 40 IKEB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408855093 DHJUSDSHZOFOKT-AQWOHROKSA-N 441.484 5.376 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc([N+](=O)[O-])c1O 408938677 RCBYDLLMIQRFFW-CMSXCWRSSA-N 441.487 5.886 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccccc1F 409122435 YNOVUMLMSBTZHN-UHFFFAOYSA-N 425.931 6.716 30 40 IKEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccc(Cl)cc1Cl)CC2 409149408 FLQFOVMVWQKDGY-KGENOOAVSA-N 429.097 5.272 30 40 IKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C 409200904 KHEWIDVOHCOFQF-CNAFYAFZSA-N 430.017 6.145 30 40 IKEB Clc1ccc(OCc2ccccc2Cl)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 409209969 IVADKONDEOMALT-STBIYBPSSA-N 448.349 8.115 30 40 IKEB Cc1ccccc1-n1c(C)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1C 409283294 RZJNWFYAZGMFGO-UHFFFAOYSA-N 449.352 5.066 30 40 IKEB CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1O[C@@H](C)CC 1531382981 UDXPAMQGZKEKEL-VKLJRCAFSA-N 441.531 5.522 30 40 IKEB C#CCn1c(S(=O)(=O)Cc2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 6181446 MIOCETMZXKIKDO-UHFFFAOYSA-N 446.959 5.478 30 40 IKEB aggregator Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)sc1C 9043377 QNFJCCBMDFQFHQ-OAQYLSRUSA-N 432.545 5.666 30 40 IKEB CCOC(=O)c1oc2ccc(/C=N/CCc3ccc(OC)c(OC)c3)c(Cl)c2c1C 9943244 DEDXIKBAIDKRTE-DHRITJCHSA-N 429.900 5.250 30 40 IKEB C(=N/N=C/c1nc(-c2ccccc2)n2ccccc12)\c1nc(-c2ccccc2)n2ccccc12 12042019 GHUMAIMAGHTHSH-CZYCKNNWSA-N 440.510 5.769 30 40 IKEB O=[N+]([O-])c1cc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)ccc1Cl 12125388 WBYXWUVOJJARGW-UFWORHAWSA-N 437.706 5.580 30 40 IKEB C=CCOc1c(Br)cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 13914027 DAFRVSKAYITVMD-LRYXAPPNSA-N 434.418 5.717 30 40 IKEB O=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 14920643 IXYNYRDZCVBPMT-PBBVDAKRSA-N 427.523 5.205 30 40 IKEB COc1ccc(CN/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1OC 20196038 IQLAVNYHMZDXAZ-RWPZCVJISA-N 433.939 5.484 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)c2cc(OC)ccc21 28182808 CMBHOEYVCJCPAT-MXAYSNPKSA-N 446.547 5.224 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)N2C)cc1 32109607 XYLRHVASCIVPNR-IKMQVZDESA-N 445.544 5.335 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)cc(Cl)c1OC 100052417 CTLPRDBXNZAWOG-GOSISDBHSA-N 438.351 5.169 30 40 IKEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1 110063952 CMTFTCNVYACLQC-QRVIBDJDSA-N 428.317 6.066 30 40 IKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 208460237 HBSNGWQDCRMBTK-SSDVNMTOSA-N 429.864 5.234 30 40 IKEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937452 WHUXVVDZDBCOLS-UHFFFAOYSA-N 448.371 5.954 30 40 IKEB CCCCOc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 408722920 OJPYFKGDZVVBIX-TURZUDJPSA-N 426.585 7.715 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 408725572 KTFUJFGKVXHNNW-HXNPFYCNSA-N 428.557 6.511 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccc(C)cc1 408913223 SEWWKLZYFRJVPI-NFEGURHZSA-N 433.489 5.787 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(C)cc3Br)c2C)c1 408965915 JXNVGEBFFJHFAN-QFEZKATASA-N 439.353 6.092 30 40 IKEB Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 408965918 XOKVVSHGQDDXFO-HYARGMPZSA-N 434.540 5.191 30 40 IKEB CCCn1c(C)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cc(C)ccc21 409030342 FLVAHJWKWLHTQN-JNNAGZRYSA-N 445.382 6.689 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 8766007 GQUOAFODXSIJIZ-WQRHYEAKSA-N 443.297 5.740 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1 9195285 RSOYUDAQOJFXSU-RPPGKUMJSA-N 449.765 6.358 30 40 IKEB Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 9261275 PKOYJLPSDKGFEU-UDWIEESQSA-N 425.916 5.778 30 40 IKEB Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 9561756 LSPALCURLNJQAT-UHFFFAOYSA-O 430.380 5.949 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)c1ccccc1F 11865065 VQSLIPXJXCNSAX-JAIQZWGSSA-N 439.236 5.424 30 40 IKEB Cc1ccc2sc(N(Cc3ccccc3)C(=O)COc3ccc(C#N)cc3)nc2c1C 13116990 AJJIPISRRPHWHW-UHFFFAOYSA-N 427.529 5.397 30 40 IKEB Cc1ccc(-c2cc(/C=C/c3ccc(C(C)(C)C)cc3)c(C#N)c3nc4ccccc4n23)cc1 13527931 CGKMMOYUKCFUMS-LFIBNONCSA-N 441.578 7.803 30 40 IKEB CCOc1cc(/C=C2/Oc3ccc(Cl)cc3C2=O)ccc1OC(=O)c1ccc(C)cc1 16742201 MIGDXTJBNUGXQI-YDZHTSKRSA-N 434.875 5.883 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463702 VXMFAAQYUHKXSM-ZVHZXABRSA-N 444.472 6.353 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463780 MJQPNYUKNDCBSS-VULFUBBASA-N 431.492 6.892 30 40 IKEB COc1ccc(C(=O)/C(=C/Nc2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2)cc1 100338229 LWJFMJCNKCGKDR-PXLXIMEGSA-N 427.422 6.059 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 100856724 OJTZFKCXMUKUKM-XLNRJJMWSA-N 443.609 6.971 30 40 IKEB C=CCn1/c(=N/C(=O)c2cccc(Oc3ccccc3)c2)sc2cc(OCC)ccc21 100875045 OFXBAEHIXKZWTK-QPLCGJKRSA-N 430.529 5.821 30 40 IKEB Cc1cc(C)c(NC(=O)C[C@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c(C)c1 101650998 HVYSOYAEJUCZRW-RWUVGJFLSA-N 429.973 5.164 30 40 IKEB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918439 XDVHIXRJLWUKRR-ORZTVLAMSA-N 440.624 6.136 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C#N)C1 408581997 KTPMZJHRJLFLEQ-CQSZACIVSA-N 433.042 6.545 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)SC1=S 408725036 IKRZQHYEGMCXTE-HNLXCZNRSA-N 449.479 6.214 30 40 IKEB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccn3)c2-c2ccccc2)cc1 408743392 SORGCCXMZVJUIA-WEMUVCOSSA-N 443.550 7.356 30 40 IKEB CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408856225 BLQZIHGQWUIYFT-VPSQUZRUSA-N 434.605 6.658 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(OC)c1 408871215 YVVNMSKPJLWPAZ-HFJIERTFSA-N 436.577 5.887 30 40 IKEB C=CCn1cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)c2ccccc21 408897745 OAFUCACKMYWGME-UHFFFAOYSA-N 444.575 5.277 30 40 IKEB CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OC)c(OC)c2)C2=C1CCCC2=O 408919981 GARCKLVOAVXSRJ-UHFFFAOYSA-N 429.944 5.181 30 40 IKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 721889 JHZIQNXEODGTCH-URAOTHONSA-N 447.534 6.621 30 40 IKEB N#Cc1c(-c2ccc(-c3ccc(F)c(Cl)c3)o2)c(C#N)c2nc3ccccc3n2c1N 1004284 APMZEFXZOFHVBB-UHFFFAOYSA-N 427.826 5.533 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1 2081806 SRZZRVYDVLHOKV-BGTPXQLESA-N 440.612 7.237 30 40 IKEB CCCCCCCCOc1ccc2cc(C(=O)O)ccc2c1I 2187128 GMTGPRJTEVZMNF-UHFFFAOYSA-N 426.294 5.882 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 2233668 IMKCLEUPKFBIRI-UHFFFAOYSA-N 432.524 5.292 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1 2795942 NQHKQGZIBRBZBL-HXUWFJFHSA-N 446.385 5.396 30 40 IKEB Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2/C(=N\C(C)C)NC(C)C)c(C)c1 8397506 TUZNUAVZVKRQRI-UHFFFAOYSA-N 440.675 8.024 30 40 IKEB COc1ccccc1/C=C/C(=O)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 8398123 DGBLIWLOEONNDJ-SAPNQHFASA-N 433.463 5.545 30 40 IKEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC 8722484 VYHOZHZBCVVZES-GZTJUZNOSA-N 429.303 5.210 30 40 IKEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 9007962 AWHNIOPWOJZCQF-QFIPXVFZSA-N 446.890 5.083 30 40 IKEB Cc1c(OCc2cccc(Cl)c2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9422246 IONAXSZBJDZEKE-ZMOGYAJESA-N 429.903 6.335 30 40 IKEB Cc1ccc2ccccc2c1CN1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1 20057934 DEWUEWPOGUAWQH-UHFFFAOYSA-N 445.570 5.451 30 40 IKEB C(#CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)COc1cccc2ccccc12 22902451 ODRMMGPSEISCME-UHFFFAOYSA-N 446.594 5.629 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4F)ccc3C1=O)cn2C 28182514 PSEBQWOVGNVVAW-GATIEOLUSA-N 429.447 5.521 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3c(C)cc(C)cc3C)S/C2=N/c2ccccc2)cc1 32194122 QHZKYSPNYOFTKG-ZNGVCIRKSA-N 442.584 6.425 30 40 IKEB CCCCCCCCCCCC(=O)O[C@@H](CN1CCCC1=O)C[N+]1(C)CCCCCC1 97951086 GPEZZQLAOIFWDU-DEOSSOPVSA-N 437.689 5.462 30 40 IKEB O=C(/C=C/c1ccc(O)cc1)C(C(=O)/C=C/c1ccc(O)cc1)=C1SCCCCS1 101461081 VYQAYQUBPWDQHR-FNCQTZNRSA-N 438.570 5.434 30 40 IKEB N#Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 107805299 SOTFYIZKBZXCSP-UHFFFAOYSA-N 445.936 5.425 30 40 IKEB C=CCOC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 216832230 WROUVWFWTGMWNW-UHFFFAOYSA-N 425.706 5.423 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)cc1 223552775 KOYKSSYXDDQXPG-PVFDWLMNSA-N 433.621 6.387 30 40 IKEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1OCc1cccc2ccccc12 408887389 NTBKGCGPDDNLKZ-VULFUBBASA-N 428.448 5.177 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2Cc2ccccc2)cc1 408910261 GQEAPUZQOCVPHC-GEZLPURSSA-N 434.564 6.952 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408938097 KJJBANPKBSNGBJ-ZRVCGSQWSA-N 430.551 7.426 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408968547 XAIAXNIRKJZYEK-AIMMPNMZSA-N 443.616 6.625 30 40 IKEB Cc1cc(C)c(COc2ccc(-c3c(C#N)c(N)nc(C)c3-c3ccccc3)cc2)c(C)c1 408980900 UBUSOGHEWINXSP-UHFFFAOYSA-N 433.555 6.682 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc1Cl 409019636 KAXNFZNKUDNRSL-NVOINBBWSA-N 444.984 5.768 30 40 IKEB O=C(Oc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1 409137848 WVPUFDQTCFQQFY-UHFFFAOYSA-N 445.478 5.165 30 40 IKEB C[C@@H](O[C@H]1OCCNC1=C1C=C[C](F)C=C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1560410216 NDKHKKWARYNKHN-ADLMAVQZSA-N 436.347 5.629 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)n1nc(SCc3ccccc3Cl)nc1N2 1283532 FIEVFKJHBBKHDW-FQEVSTJZSA-N 440.931 5.385 30 40 IKEB Cc1cccc(N2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccccc3)C3=C2c2ccccc2C3=O)c1 2063454 MFLUFMCINVVGNQ-SANMLTNESA-N 445.562 6.850 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 3082727 KOQSZCCYWDCYKO-BHGWPJFGSA-N 449.677 6.525 30 40 IKEB CCCCOc1ccc(C(C)(C)CC(C)(C)C)cc1/N=C/c1cccc([N+](=O)[O-])c1O 3154742 CIJQZAVTPXHHHF-WGOQTCKBSA-N 426.557 6.944 30 40 IKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCCC1 4028738 NRXSHTMQYCWAJB-KCPWBINCSA-N 441.656 6.540 30 40 IKEB biogenic CN(C)c1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 6077146 DRNJSODQIMEPOL-SANMLTNESA-N 441.531 6.124 30 40 IKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1 9234001 CATUEGNQZGESCX-NRFANRHFSA-N 444.487 5.527 30 40 IKEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 9257425 IROCIONOFJSNBJ-UHFFFAOYSA-N 443.985 5.378 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)nnc1-c1ccoc1C 10021851 OLHSGHXMHJHEIK-UHFFFAOYSA-N 446.576 5.474 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccc(F)cc2)cc1 13551474 FNUUFYIDPPKJOL-ILBGXUMGSA-N 445.450 5.541 30 40 IKEB CCOc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)cc1 17099623 ZMJPANBRTQPAAO-DCFHFQCYSA-N 435.527 5.851 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1 23358612 ZXYDPQJUMBBESA-ZEHKLFRWSA-N 441.600 6.641 30 40 IKEB O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1cccc(N2CCOCC2)c1 48303614 VYPGZDFRJSHXOJ-CSKARUKUSA-N 438.321 5.442 30 40 IKEB CCCCCCCCCCCC1=C(O)/C(=N\c2ccc(Cl)cc2Cl)C=C(O)C1=O 85340942 AWAAYYIABMMQLY-QOMWVZHYSA-N 438.395 7.824 30 40 IKEB biogenic,in-vitro CCCCCCCCNCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 102561988 DPGDZFOMMDOMKE-UHFFFAOYSA-N 448.445 6.877 30 40 IKEB Cc1c(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c2ccccc2n1Cc1cccc(F)c1 107701918 LSDHAKXKUKKTDU-ILEYUIQDSA-N 447.560 6.011 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1C 408962492 YORPCHHDRGHLFT-HAHDFKILSA-N 429.589 6.165 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)S2)cc1 408964314 QSJSVBQYXZPGAJ-HYARGMPZSA-N 434.492 5.305 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(CC)C2=O)cc1Cl 409013123 SUYVZEYOFOSYTF-XNJRNFBTSA-N 449.403 6.795 30 40 IKEB COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)c1 409167854 OKBKWUDHDUDHJN-FMCGGJTJSA-N 443.528 5.211 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1Cl 409199066 BGEXXWPTSBDLER-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccc(C(F)(F)F)c1 409279249 HCVYCMQRXMWVRP-UHFFFAOYSA-N 433.389 5.711 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(CSc3nc4ccccc4[nH]3)c2)cc1 9057718 CXGDABXXZBWRFX-NTUHNPAUSA-N 430.529 5.769 30 40 IKEB O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12958020 JSRASXQLAWASLT-HDHZYAPQSA-N 432.820 5.419 30 40 IKEB CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OC(=O)CC 13564277 LFZQYYVEXVTYBC-SANMLTNESA-N 441.527 6.118 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(OCc4ccccc4)c3)c2C#N)C1 14273287 WNLNJDZWUSKGFJ-FQEVSTJZSA-N 444.600 6.602 30 40 IKEB Cc1nc(N/C(N)=N/C(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc12 18106315 ROXRIQSMIMDHJW-UHFFFAOYSA-N 426.505 5.088 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(O)c(Cl)c1 19973644 MOEBMQURWFZZQE-UHFFFAOYSA-N 434.363 5.672 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OCC 32109998 UNYULOSEMFXQFS-MOSHPQCFSA-N 429.925 5.540 30 40 IKEB C/N=C1\S/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1C 59249486 XHEPKAKKBFBYBJ-WLGFUPNESA-N 443.775 5.379 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cc(Cl)cc(Cl)c1O 59566768 DBBAOGXYIBKIBI-XGICHPGQSA-N 434.131 5.897 30 40 IKEB CCCCCCCCCCCCNC(=N)NC(=N)NCCCCCCCCCCCC 68562381 AOJUFLXHLIRCBO-UHFFFAOYSA-N 437.761 7.467 30 40 IKEB biogenic CCCCCCCCCCCCN[C@@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)O 100908729 NFCCBECISXFJHJ-FQEVSTJZSA-N 441.012 5.641 30 40 IKEB CCN1/C(=C2/S/C(=N\Cc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 102149091 SFHIQUHDLCUJFF-SLJQUXCSSA-N 449.645 6.252 30 40 IKEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 102432075 LFLBGIVGVULLMZ-HNEFAFEWSA-N 428.513 5.277 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\C=C\c1ccccc1 104376699 HYPWGBILDBPVEG-FCZQUEJFSA-N 429.718 7.631 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OCc1cccc(F)c1 408528019 CAFDBISZMNWPAJ-HAHDFKILSA-N 448.519 5.695 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1CC 408560979 SLYCHWVWDOQQFU-UHFFFAOYSA-N 429.417 5.849 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 408905673 CFQYSVPLQHRRHP-MDIFQPDJSA-N 438.549 5.132 30 40 IKEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(F)cc1 408909693 IECIHAVFYWHFHI-YSMPRRRNSA-N 435.455 5.496 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C 408966226 KOMPABQCDDHPDR-UZWMFBFFSA-N 436.643 7.875 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 409072983 UMAHYZHKKNBNEF-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 409078273 HQQNZDTUVFGJHV-KGENOOAVSA-N 434.289 5.373 30 40 IKEB CC[C@H](C)Oc1c(Br)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409097673 NTTNQMHDNOGXFK-OLLYESQCSA-N 446.267 5.495 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 409218197 TVEQMIFTWCWCEL-DHRITJCHSA-N 444.756 6.749 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S/C1=N/c1ccc(F)cc1 409238109 CCAWBJPRGNBVAT-ISFSXHQYSA-N 448.361 5.278 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(OCC)c1OC 409333452 SKUHHYSOIPIVRA-ZHZULCJRSA-N 425.575 5.537 30 40 IKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409384689 FGHFLDDAEOYRLI-ZXSUQFSISA-N 434.605 6.997 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccccc2)o1 1531332915 ZRCBESNWGYQXEZ-ZVHZXABRSA-N 436.309 5.254 30 40 IKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC(=O)c1cccs1 756926 PCUUBMDHVSPNLY-UHFFFAOYSA-N 436.558 6.524 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1C 3021623 IZVYDDJPBQSGBS-QUOYTPRUSA-N 427.982 5.809 30 40 IKEB CC(=N/Nc1nc2ccccc2n1Cc1ccccc1)/N=N/c1ccc(Br)cc1 3944784 KGJOXUUCOZFXIN-HJSWUCLESA-N 447.340 6.376 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)cc1 6283042 VFYROTRSQQWLQJ-OAQYLSRUSA-N 437.854 5.271 30 40 IKEB CC(C)(C)c1ccc(CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)cc1 8443116 VGTNPJQWHWWDCH-UHFFFAOYSA-N 446.666 8.000 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 8821189 XZZREPGMDDOHPE-YVLHZVERSA-N 438.858 5.815 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)c2C#N)C1 9158194 UFFLWBZRTUICHD-OAHLLOKOSA-N 440.524 5.770 30 40 IKEB COc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 12311856 XKLAAGCCEPHXLK-BRJLIKDPSA-N 435.738 6.680 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)cc1 13879988 RQYTZFCFQAGKKK-DJUDNFEDSA-N 434.348 5.140 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2cccc(C)c2)SC1=S 13942304 UFVVHBVWZBYHFY-ZHZULCJRSA-N 445.993 5.493 30 40 IKEB COc1ccccc1CN/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 20761533 UYQIXKSXRSPTIA-LGJNPRDNSA-N 445.346 5.713 30 40 IKEB C=CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 27489064 NGXZIJVSPYQWFT-XMMPIXPASA-N 433.338 6.873 30 40 IKEB CCCCC(NCCc1c(C)[nH]c2ccccc12)=C1C(=O)CC(c2ccccc2)CC1=O 100146924 GWZIXCSOKOIGMM-UHFFFAOYSA-N 428.576 5.769 30 40 IKEB O=C1C(c2ccc(C(F)(F)F)cc2)=C(Nc2ccc(Br)cc2)c2ccccc21 101079494 DWZJQFWYHFBZNX-UHFFFAOYSA-N 444.250 6.645 30 40 IKEB N#CC1(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4Cl)C3)cc2)CC1 225907524 JCWYTDPPMGLNBY-KRWDZBQOSA-N 428.363 5.399 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 408596789 UVLDXSZFXSBQJO-LGJNPRDNSA-N 439.284 5.590 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 408718816 MFSKISAKEQGRJT-ZCTHSVRISA-N 428.491 7.398 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722316 GZPNSBKQJJSWNW-CVKSISIWSA-N 447.947 7.352 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722338 HJDPMLGZAFGSFK-CVKSISIWSA-N 447.947 7.352 30 40 IKEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccc(Cl)c(Cl)c1 408740203 DUJGFZBDEKJJIW-AUWJEWJLSA-N 428.138 5.648 30 40 IKEB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 408743248 RSBQQYBRKAXHJB-HYARGMPZSA-N 445.544 5.081 30 40 IKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408954221 RXVVNYWIJCRHTM-PDGQHHTCSA-N 444.343 5.684 30 40 IKEB CCOc1cc(Br)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408965671 LIFYXEIJMZEFEO-VCHYOVAHSA-N 447.354 5.056 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(O)cc3)c2C(=O)Nc2ccccc2)C1 409090518 PUVJGCKVZIKFEV-GEGDGZKASA-N 432.589 6.608 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)S/C1=N/c1ccc(OC)cc1 409243392 WCQXRWIHYBQEKT-JHXFIANCSA-N 447.560 5.432 30 40 IKEB COc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(OC)cc3)C2=O)cc1 1697970 DURKLCIFQNJMIT-UHFFFAOYSA-N 444.530 6.808 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 2133406 JFDAJWXBYOTKBR-OOHHOYHOSA-N 440.451 5.238 30 40 IKEB biogenic Cc1ccccc1C(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F 2257401 OQIYGBBUDVSFRN-UHFFFAOYSA-N 444.297 5.677 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc12 2335735 PQDNDNIEXRGGMO-UHFFFAOYSA-N 446.551 5.600 30 40 IKEB CCCC[C@H](CC)COC(=O)C[N+](C)(C)CCOC(c1ccccc1)c1ccccc1 4769607 AWBMWEBGBHIOOZ-QHCPKHFHSA-N 426.621 5.629 30 40 IKEB CC(C)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1 9419336 ONROZUZEQWWBJL-QRVIBDJDSA-N 438.476 5.333 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C)o3)sc2c1 9463989 LDDROXNLIOQZAQ-FQEVSTJZSA-N 448.500 5.444 30 40 IKEB Clc1ccc2c(N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)ccnc2c1 12570587 ZIEMQUZZNPPFKS-VULFUBBASA-N 429.936 6.248 30 40 IKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1/N=C/N1CCCCCC1 13895488 SQCNKEDYQDNTNZ-DFKUXCBWSA-N 448.570 6.871 30 40 IKEB CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)cc1 16609901 PIJOSSNLLJVUFA-AFUMVMLFSA-N 437.883 5.644 30 40 IKEB COC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 17095167 KJYPAXOHJWCBPH-CSKARUKUSA-N 426.881 5.280 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1ccccc1)[C@H]2c1ccco1 20503215 JMKHRWRTKOJKCW-SANMLTNESA-N 441.531 5.535 30 40 IKEB Clc1cccc(/C=N\Nc2nnc(N/N=C/c3cccc(Cl)c3)c3ccccc23)c1 31670022 CYKZGUGAOIRLRS-KGRJIBJCSA-N 435.318 5.829 30 40 IKEB CCc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 32984387 RVVGQYWXSIWWRL-UHFFFAOYSA-N 441.911 5.691 30 40 IKEB CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OC(C)C)cc2)cc1 100686537 KYQDARWHPWETHM-ZXVVBBHZSA-N 441.641 5.821 30 40 IKEB CC1(C)OB([C@@H]2C=CC=C[C@]2(/C=C\c2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 199508774 JIVNRTMPQKZINX-QQQIICMPSA-N 434.194 6.121 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccccc1 254565508 APARRRRJBVTTQW-DRIWLZCMSA-N 429.501 5.069 30 40 IKEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc21 408721350 PTHJRQMCGDEMBT-AFUMVMLFSA-N 425.400 5.963 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)o1 408760866 AKXNWDBBUIBXOJ-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408847083 MHDNRHSNOVFZEB-NKDOTSDESA-N 435.552 6.282 30 40 IKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O 408940640 OIIFMJABSPBYFX-MBZYMXRXSA-N 444.962 7.021 30 40 IKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=Nc3ccc(F)cc3)N(C)C2=O)o1 408960513 GDFBQBLEBDPLAD-OBBBTXPFSA-N 436.464 5.326 30 40 IKEB Cc1cc(C)nc(Sc2ccc(/C=N/c3sc4c(c3C#N)CCCC4)cc2[N+](=O)[O-])n1 409117265 LEOUZHCPGCIFCJ-WYMPLXKRSA-N 449.561 5.715 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(Br)cc1O 409208208 AHVIUOXLWDPBCM-DKZNWEEVSA-N 447.398 5.998 30 40 IKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@@H]2c1ccc([N+](=O)[O-])cc1 2057056 UDSFBCNQXCPMGT-XMMPIXPASA-N 446.547 6.407 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)COc1ccccc1[C@@H](C)CC 8400599 GCTKGYMPZGYYAO-VWLOTQADSA-N 431.705 8.176 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1 8427016 VFXWBQPMRDEQGI-UHFFFAOYSA-N 448.405 7.008 30 40 IKEB O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(Cl)cc1 9209574 ARXGQLDPZZWOCY-UHFFFAOYSA-N 434.904 5.496 30 40 IKEB CC1(C)C[C@]2(CCO1)/C(=N/c1ccccc1)N=C(S)N2c1ccc(Br)cc1 13748769 LGNBPKGJXMXFNJ-OAQYLSRUSA-N 444.398 5.613 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc4ccccc34)c2C#N)C1 14271534 NQCHOKSMFSDTND-INIZCTEOSA-N 447.629 6.051 30 40 IKEB C=CCn1c(CNc2cccc(Cl)c2C)nn(CC(=O)Nc2ccccc2C)c1=S 16768672 ZCROTWUMFFIHEB-UHFFFAOYSA-N 441.988 5.121 30 40 IKEB C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl 32754433 WEDXXOPOQYZCMT-NSHDSACASA-N 438.384 5.972 30 40 IKEB CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1 35973802 RUCSBLGADDDLHI-GZAUMTHMSA-N 445.559 5.399 30 40 IKEB CCOc1ccc(N(CCC#N)C(=O)CN(Cc2ccccc2C(F)(F)F)C2CC2)cc1 59387332 YEDFBWZARQFJNL-UHFFFAOYSA-N 445.485 5.015 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccc(OC)cc2)cc1 100034547 IKPWQALGELDMHO-UHFFFAOYSA-N 442.600 6.415 30 40 IKEB Cc1ccc(/C=N/N=C2C(=C(/O)C(c3ccccc3)c3ccccc3)\C(=O)c3ccccc3\2)o1 100143395 NIUOLHPWJOKCPA-KNQZIMACSA-N 446.506 6.252 30 40 IKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 100145057 WYDWSLXKZMJAJY-XIQMRYHBSA-N 440.455 5.086 30 40 IKEB O=C(/C=C/Nc1ccc(I)cc1)c1cnc(-c2ccccc2)s1 100419175 NXDDUILOTWHCFG-ZHACJKMWSA-N 432.286 5.223 30 40 IKEB O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 101075851 CUZHAURJCHYASZ-YDJIHCHBSA-N 434.289 5.075 30 40 IKEB CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N/c1ccc(Cl)cc1 105757718 SJSZQPZVWZZHQE-JQBIEYAESA-N 433.936 5.095 30 40 IKEB CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 408674411 ZJSJQIDRZDNXJQ-FHGIMWBPSA-N 441.568 5.120 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc(N3CCCCC3)o2)sc2c1CCCC2 408844536 DNIHJKVUBUSIQB-ONUIUJJFSA-N 433.577 6.213 30 40 IKEB CC(C)n1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 408885982 CFUGWQSFJPTLRC-UHFFFAOYSA-N 444.619 6.538 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 408890526 VBVVWXINHICLCJ-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB CC(C)n1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 409077883 AYWYDWWTAHFRHY-MUXKCCDJSA-N 445.588 6.436 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)S1 409251863 QSKLNWZTLGWOQK-REZTVBANSA-N 446.757 5.784 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3ccccc3C(=O)O)o2)oc(-c2ccco2)c1-c1ccco1 409380438 DLJZRIUVGZRYKL-MZJWZYIUSA-N 438.395 6.380 30 40 IKEB C(=N/Nc1nc2ccccc2s1)\c1cn(Cc2cccc3ccccc23)c2ccccc12 1838758 IKFALNIBCDDJDT-LQKURTRISA-N 432.552 6.899 30 40 IKEB O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCC2 2744107 NYXOCHVERNNHLF-DHRITJCHSA-N 429.372 6.937 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C)o2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4576314 YEWBUPCTTJGMFX-MWTRTKDXSA-N 425.550 5.210 30 40 IKEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCc3ccccc3)n2)cc1 8445812 RSEWWOULIYWKGS-UHFFFAOYSA-N 442.971 7.242 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c2ccccc21 9422320 JTYFRPCPTDKOQO-AFUMVMLFSA-N 443.930 6.818 30 40 IKEB CCCOc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1OC 10059699 NNIBIDYEKKSCLP-SANMLTNESA-N 429.541 6.351 30 40 IKEB CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 12411954 BLEBMOZJPYXVTH-FULLSBAXSA-N 445.522 5.495 30 40 IKEB Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccc(C)c(C)c3)S2(=O)=O)c1 20132845 RWSRVELJRXLNMF-BUVRLJJBSA-N 432.545 5.098 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 20650227 NMLQAGQGAZFHHB-HMAPJEAMSA-N 431.935 6.203 30 40 IKEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccc(C2CCCCC2)cc1 27028500 GGTZZDNIVLPXFR-UHFFFAOYSA-N 448.030 6.753 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4F)c3C)C2=O)c2ccccc21 28182590 DEKYMZAPIJUBKE-QFEZKATASA-N 427.475 6.304 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c2cc(OC)ccc21 28182798 CYWOHMRXGGESRQ-VXHGTMSESA-N 446.547 5.224 30 40 IKEB N#Cc1ccccc1CSCCNC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 32802022 BXIOLUOAQIEHHV-UHFFFAOYSA-N 448.573 5.161 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2-c2ccccc2S1(=O)=O 33271921 GUSBLHDVVVPAOJ-UHFFFAOYSA-N 438.936 5.262 30 40 IKEB CCCCCCCCCCCCCCCCCCSCCNC(=O)Cc1ccccc1 33354691 GTDXAFUXWCTPPT-UHFFFAOYSA-N 447.773 8.340 30 40 IKEB CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)c(O)c2)cc1 59663695 SIPLYIIIQHCZLP-UHFFFAOYSA-N 426.553 6.724 30 40 IKEB N#C[C@H](C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ncc(C(F)(F)F)cc1Cl 84368036 XVLKZQJDYGUTTN-LBPRGKRZSA-N 425.197 5.287 30 40 IKEB FC(F)(F)C(C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1)C(F)(F)F 97951728 RLTYASMTXHJTSN-UHFFFAOYSA-N 446.191 5.424 30 40 IKEB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)c(Cl)c1 100117641 NKVBMEVULBJSKQ-CMCXOAPSSA-N 449.381 6.949 30 40 IKEB Cc1ccc(/N=C2/SC(=S)N(CCC[N+](C)(C)C)/C2=N/c2ccc(C)cc2)cc1 104311335 GJIIXKFWGOIYRD-VNABVMDTSA-N 425.647 5.494 30 40 IKEB C=C(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 224564114 SSECLKUOCVAZEX-UHFFFAOYSA-N 436.533 5.003 30 40 IKEB CN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S/C1=N/c1ccc(C(=O)O)cc1 408799382 YZYYYODHEUVBGS-DMYTXEOQSA-N 436.514 5.363 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1C 408915359 XTKKWQMOQGBCEY-NFEGURHZSA-N 433.489 5.651 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl 409055168 DCUGJIDMDVRZHA-YBEGLDIGSA-N 438.719 5.900 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(CC)C2=O)c2ccccc12 409065204 FAMFYTCRUQLEPL-JUMVDPBBSA-N 446.528 5.561 30 40 IKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409069498 LCCRAPMVUQRCID-CVKSISIWSA-N 446.459 5.360 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1OCC 409109324 BRLAEGLTTXBXSG-AQTBWJFISA-N 442.353 5.710 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409211623 MDTDUBXOIDCGNJ-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 1861506 KSPRSBXIRCWOJQ-NHDPSOOVSA-N 425.799 5.583 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1 2082208 ZPCSONYMHSEOKG-LMTJQJACSA-N 444.556 6.129 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 2261075 HNCZVNSWRRRRSL-UHJWXMBMSA-N 444.398 5.473 30 40 IKEB CCCCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 2294992 PVAUJKCPEHMIQR-HNNXBMFYSA-N 446.686 5.856 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1 3095302 XOQBPIUIDJODPO-BRJLIKDPSA-N 436.227 6.716 30 40 IKEB CC[C@@H](C)Oc1c(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cccc1OC 8400447 LNIFIALKAWDNAG-RKLHJIHPSA-N 440.565 5.123 30 40 IKEB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cn(CCC#N)nc2-c2ccccc2)c1 8721435 YWFHZQNERSRJIK-AREMUKBSSA-N 433.515 5.543 30 40 IKEB C[C@H]1Sc2ccc(C(=O)N3CCCS/C3=N\c3ccccc3Cl)cc2NC1=O 8883204 UZPXJLAXWIVHQM-GCDPVWBDSA-N 431.970 5.040 30 40 IKEB C/C(CCC(c1ccc(C)o1)c1ccc(C)o1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8972026 LFXGNYHOPQCHJZ-LPYMAVHISA-N 426.429 5.706 30 40 IKEB C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 10022523 TXOUNTYLZDPTCN-ZDUSSCGKSA-N 430.599 5.439 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(C(C)(C)C)cc4)Oc4ccccc4[C@H]3C2)cc1 12194185 RITAFLIKEAQDTQ-IAPPQJPRSA-N 438.571 6.791 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C2CCCCC2)cc1 13286419 GZBNOXZWWFHUEE-SLJQUXCSSA-N 449.645 6.728 30 40 IKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 15011752 LRAOFPDEFXCXNX-KGENOOAVSA-N 431.473 5.065 30 40 IKEB C(=N/NCN(Cc1ccccc1)Cc1ccccc1)\c1c2ccccc2cc2ccccc12 15413905 LXKXEHBJUKMEFS-AJBULDERSA-N 429.567 6.576 30 40 IKEB Cc1ccc(C2=NN(C)C(=N)/C2=N\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 16949253 SZTVFBRANHQPQW-NJZZXSBJSA-N 427.352 5.127 30 40 IKEB Cc1ccc2c(c1)[C@@H](C#N)C(c1ccc3cc(C)ccc3n1)=CN2CC(=O)c1ccccc1 18199871 UMNXKPDLZPYJDY-XMMPIXPASA-N 429.523 6.203 30 40 IKEB COc1ccc(/C=N\n2c(-c3ccc(C)cc3)n[nH]c2=S)cc1OCc1ccccc1 19860969 MCLSZYHOJNIQLB-MYYYXRDXSA-N 430.533 5.386 30 40 IKEB CCCCc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 32984255 JZCCXTQOLWJVQK-UHFFFAOYSA-N 445.584 6.296 30 40 IKEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccc(C#N)cc1 33396519 FEDCNCQCFYRAKF-UXHLAJHPSA-N 443.510 5.225 30 40 IKEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(/N=N\c2ccccc2)cc1 59489031 ZGMBZAWXBVKJIE-ZCXLWEBDSA-N 434.337 7.453 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2)cc1 97961219 DUORJTVBVQJQNS-HGLPBTONSA-N 448.691 8.874 30 40 IKEB biogenic COc1ccc(-n2c(=S)ssc2=N/C(=N\c2ccc(C)cc2)c2ccccc2)cc1 252444417 VZICHORWUKWPDI-XQUZFIRCSA-N 449.626 6.326 30 40 IKEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S1 408755099 YNASWBXSKWFTJP-HYARGMPZSA-N 445.500 5.374 30 40 IKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408855849 FVVLWYRXVMYWRV-UCQKPKSFSA-N 428.330 5.037 30 40 IKEB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl 409172529 JZDYOHCKPAXKGB-CIAFOILYSA-N 433.920 5.547 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl 409208584 CXLGFYOVKQCRGI-OPEKNORGSA-N 449.721 7.193 30 40 IKEB Fc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c1 409211123 HXYHOVQCPUNFAF-STBIYBPSSA-N 431.894 7.601 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(OCc4ccccc4F)c3)c2C#N)C1 409213695 QIMUJYQDAHIGAY-FPBZBRPHSA-N 446.591 7.239 30 40 IKEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409224474 KKFAPIFGBNWWJA-ZMOGYAJESA-N 439.855 5.025 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(F)cc4)N(CC)C3=O)c2C)cc1 409244906 KGYDMCYTKPJPBM-AOFZEWBLSA-N 447.579 6.420 30 40 IKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 714506 NCBBMZHTJFJXIK-RUZDIDTESA-N 427.500 5.887 30 40 IKEB C=CCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)N(C(=O)CC)c1ccccc1-2 2114351 JXBQPARWZJTDRG-OAQYLSRUSA-N 438.940 5.304 30 40 IKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1 3627456 KXNMAIAKSBGCKU-SPLOXXLWSA-N 435.014 5.765 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 8740571 WGDCIXFXFONXPR-OAQYLSRUSA-N 434.467 5.203 30 40 IKEB C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 9187475 VBUQIEMARLVDCX-QHCPKHFHSA-N 442.471 5.021 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4cccs4)c3C)C2=O)c2ccccc21 9421984 XEGLHOMLADYVKA-FYJGNVAPSA-N 429.497 5.867 30 40 IKEB C(=N/Nc1nc2ccccc2[nH]1)\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 12580108 BOBAJEQHAABACA-VUTHCHCSSA-N 427.511 6.620 30 40 IKEB COc1ccc(OCCCOc2cccc(/C=N/Nc3nc4ccccc4s3)c2)cc1 13940179 GQTSLHSBHNHSMB-KOEQRZSOSA-N 433.533 5.599 30 40 IKEB C=CCc1cc(C(=C\C)/C(=C/C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC(C)=O 16990097 JYHPJEHAFFAGBR-ZZULHHKVSA-N 430.544 6.501 30 40 IKEB COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(Cl)c1O 18082528 MCDOXFZYBWLJFT-GATIEOLUSA-N 444.940 5.268 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)c2cc(OC)ccc21 20650742 RFWKINAAPLKRNK-AFUMVMLFSA-N 446.547 5.368 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\N=C\c1ccccc1 27015940 MXCFGWDMGPHRQX-NDQAOLADSA-N 442.544 5.491 30 40 IKEB COc1cccc(-n2c(C)cc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1 34837964 AROVYBCZSNJHLE-RDRPBHBLSA-N 448.526 5.362 30 40 IKEB O=C(Oc1cccc(/C=N/c2ccc(Cl)cc2)c1)c1sc2ccccc2c1Cl 59503601 GKJVIYAFIAKNPP-DHRITJCHSA-N 426.324 7.178 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3cc(C)c(Cl)c(C)c3)c(C)c2s1 72228849 KLMCHLKEJZDZOB-UHFFFAOYSA-N 444.988 6.009 30 40 IKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN3CCCC3)n2)cc1 94992844 CWOVMPMEYWGSNV-UHFFFAOYSA-N 433.499 5.392 30 40 IKEB CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S/C1=N/c1ccccc1 96610573 PAJLDDXCQWORLE-UMUYUUQJSA-N 434.948 6.153 30 40 IKEB Cc1ccc(Sc2[nH]c(-c3ccccc3)nc2/C=N/c2cccc(C(F)(F)F)c2)cc1 100143796 FWCZZUHFIYRBKN-RWPZCVJISA-N 437.490 7.306 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 102498608 LLWBFZLYYIWVKT-ASBZNUFUSA-N 446.553 5.601 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc2cccc(OC)c2o1 107659388 HOCZWAABYBOGIE-UHFFFAOYSA-N 446.359 6.485 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2ccccc2I)cc1 408550324 FYGMICSFPSPZCW-HYARGMPZSA-N 429.257 5.843 30 40 IKEB O=C(O)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408743051 YXYHYHUPTBEVAO-NJZRLIGZSA-N 442.518 7.260 30 40 IKEB C[C@@H](NC(=O)COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 408819075 YBSXWIMOHKIKRP-FOCLHDTISA-N 426.438 5.712 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccccc1 408906434 BKZOOGXCULGDJE-NYDMIJARSA-N 434.564 7.205 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1OC 408986793 NDMRSTFUZPGYIS-WGOQTCKBSA-N 445.544 5.949 30 40 IKEB CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 409046795 MFNAUIIZFKAROV-MFKUBSTISA-N 433.464 5.070 30 40 IKEB O=C(COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl)Nc1ccccc1 409070279 FHHICGGIPAWTMM-LUOAPIJWSA-N 448.832 5.217 30 40 IKEB COc1cccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)cc2)c1 409108557 VFGLCLBTEWHZRM-WSDLNYQXSA-N 443.253 5.614 30 40 IKEB C#CCOc1nc(F)c(Cl)c2c1Oc1cc(Br)c(Br)cc1O2 1902305 JWSBDNZFDDYDCE-UHFFFAOYSA-N 449.457 5.309 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 8837564 VXBSRSYNUKZIOX-FQEVSTJZSA-N 448.475 5.428 30 40 IKEB CCCN(/C=N/c1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N)CCC 8952090 OXCSOZOKUFRGEN-MTDXEUNCSA-N 431.536 6.284 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 9272735 IQCHBIOTWKRKRW-HSZRJFAPSA-N 431.919 5.469 30 40 IKEB Cc1ccc(C(=O)CSc2nc(C(F)(F)F)c(C(=O)c3cccs3)cc2C#N)cc1 9419714 RYXSNKQZXKZPBH-UHFFFAOYSA-N 446.475 5.548 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3C)c2c1 11866443 MZFMBDSENMPPAU-UHFFFAOYSA-N 427.500 6.624 30 40 IKEB biogenic COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccc(Cl)cc1Cl 12950868 DXLGNPSSIAYASH-AUEPDCJTSA-N 438.698 5.170 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 13382095 JGLRYDVTSPUKQZ-RNIAWFEPSA-N 430.376 5.476 30 40 IKEB Clc1ccccc1/C=N\c1ccc2c(c1)Cc1cc(/N=C/c3ccccc3Cl)ccc1-2 17325283 XGFBVDAHUXIEKP-RQCICOGXSA-N 441.361 8.066 30 40 IKEB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccc(F)cc2)cc1 19855756 BGETYEJCEIZQPU-TURZUDJPSA-N 444.531 5.972 30 40 IKEB CCOC(=O)c1sc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c(C#N)c1C 57313749 HEOXAODFNZWIMQ-UHFFFAOYSA-N 449.897 5.134 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(Br)cc3)c(C)c2s1 72228604 HHZSASAPTSJLHP-MSXFZWOLSA-N 445.386 6.126 30 40 IKEB CC(C)c1ccc([C@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 102696612 JJRZHGJEUZJJCB-MRJHHRETSA-N 444.512 5.639 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cn(C)nc5C)C(=O)[C@]4(C)CC[C@H]32)C1 253536038 DXRJBJUDWMWZPC-XFVKKWBXSA-N 436.596 5.185 30 40 IKEB CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408593614 QQBSCSFWZHCCLT-WGOQTCKBSA-N 448.475 5.174 30 40 IKEB C=CCn1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 409038236 VALJRAVZIGGCEN-ZROIWOOFSA-N 431.364 5.329 30 40 IKEB CCOc1c(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cccc1OC 409077333 DSCOTMHKNNEQPM-WGARJPEWSA-N 438.549 5.308 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1 409091403 TZQKPAFMRMPPNK-LUOAPIJWSA-N 435.833 5.787 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1 409210790 LHPDTHLVKZAFHY-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB CCOc1c(I)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409212214 OSRZEILGFNIBBF-KEBDBYFISA-N 429.685 5.411 30 40 IKEB CCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Br 409404718 QSWKEATWLKVHKK-UHFFFAOYSA-N 448.320 5.107 30 40 IKEB Cn1cc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)c2ccccc21 585295147 NCSGTYHJDUWFQK-JOCHJYFZSA-N 428.565 5.372 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 2084316 JZTGGLKGODRTLO-SIFZUIMESA-N 442.584 6.737 30 40 IKEB Cc1ccc(/N=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1C 3088619 XZOFNVFGNLQSTF-ZCTHSVRISA-N 429.519 7.580 30 40 IKEB N#Cc1c(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c1CCCC2 3294884 QLVGPOZEHWAUQK-UHFFFAOYSA-N 443.739 5.254 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)cc1 3639568 XGTVBDHKQSNKBC-IQGLISFBSA-N 449.522 5.149 30 40 IKEB CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(-c3ccccc3)c2C1 6075241 MHNQMMPRWOGUCP-HXUWFJFHSA-N 447.047 7.717 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S 9425742 FPKPCJGNHOORCE-HKWRFOASSA-N 445.993 5.575 30 40 IKEB N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 12757228 RGKVPMLJMVKWKK-UXHICEINSA-N 435.618 5.491 30 40 IKEB CCc1ccc(OCCCOc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 13897819 VSDVDXYKQGAFGG-NLRVBDNBSA-N 449.507 5.460 30 40 IKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 18116547 LFYMAAVEQYMJLZ-VWLOTQADSA-N 447.535 5.928 30 40 IKEB COc1cc2c(cc1OC)[C@@H](c1sccc1C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18200061 HZZDGHGPDKORAN-JLCFBVMHSA-N 437.586 6.093 30 40 IKEB CC(C)(C)C1=C/C(=N/C(=O)c2ccccc2)C(Cl)(Cl)[C@](Cl)(C(C)(C)C)C1=O 26787261 OUFGOZOIEYWLPH-UQEONJGVSA-N 428.787 6.021 30 40 IKEB N=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1c1nccs1 33627049 NLLSUPGNVUWQJE-RBTJZALWSA-N 437.502 5.048 30 40 IKEB COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1OC 33957357 KJCBMTPITIADGL-LEWAZHMDSA-N 432.564 5.741 30 40 IKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)o1 59459419 NVUMETUEWLSIEC-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB O=C(O)c1cccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 59503603 LDBLECFVGACCBX-DHRITJCHSA-N 435.888 6.223 30 40 IKEB CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)S/C1=N/c1ccc(C)cc1 96469257 DQXVIDBRVRIHAD-RWBSCQHUSA-N 430.573 6.561 30 40 IKEB C/C(=N\c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(-c2ccccc2)cc1 101560016 KLUDQUWQXNNFHQ-STKMKYKTSA-N 438.530 8.293 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OCC)c2)S/C1=N/c1ccccc1 103217596 YQYIDYWBMUZUQE-XZKXACHFSA-N 438.593 6.134 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)s1 137613018 WTAFIAOERBNUDQ-YMJAZQHQSA-N 442.997 5.579 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)S/C1=N/c1ccc(F)cc1 409242933 PVJHCHQGGPDONS-VBJFXANNSA-N 434.492 5.912 30 40 IKEB CCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ccccc13)O2 2025782 REKLLOKKSPBPBZ-GDLZYMKVSA-N 426.604 7.789 30 40 IKEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl 8438693 AYRZFHJNKMIXRS-QDEBQFNMSA-N 429.903 5.518 30 40 IKEB CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 9057783 FHFDTDZSGREJTL-FSJBWODESA-N 428.510 5.281 30 40 IKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@H]2c2ccco2)cc1 9332487 PMKHIXTVTHTQKW-IVCQMTBJSA-N 428.488 5.355 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Cl)cc1 13303976 IGUFSIMNAZDHQP-QUOYTPRUSA-N 429.998 6.114 30 40 IKEB Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19867284 ILHIFKKJWXBAAR-TWKHWXDSSA-N 447.586 5.211 30 40 IKEB CCCCOc1ccc(/C=C2/CN(CC)C/C(=C/c3ccc(OCCCC)cc3)C2=O)cc1 33692498 YLBPZFUDYOLCMF-DQIQZUARSA-N 447.619 6.416 30 40 IKEB CCCCCCCCc1nnc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)s1 97954964 REIZEGYQOBGFKV-UHFFFAOYSA-N 449.617 5.890 30 40 IKEB CCCCCCCCCCCC1=C(O)C(=O)C=C(Nc2ccc(NC(C)=O)cc2)C1=O 100393407 RMMFQSSDYBDNDH-UHFFFAOYSA-N 426.557 5.826 30 40 IKEB biogenic,in-vitro CC(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102580587 BIGUSMGZIZKJAE-AYWGPLOBSA-N 431.919 6.090 30 40 IKEB CC(C)N1c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C 260567689 MIPLGGRKFNGHID-RIASEESXSA-N 433.621 6.421 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 408659269 KKXZVCSKOIMWGU-GZTJUZNOSA-N 438.523 6.722 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1 408812400 MYRWYNAYLRJNSI-PDGQHHTCSA-N 444.350 5.423 30 40 IKEB CCCOc1c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cccc1OC 408913012 OZNZIDJYPSINPN-RUEJZYPDSA-N 444.556 6.293 30 40 IKEB CCN(CC)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408968296 YAJSPIKKPRRONE-WPWMEQJKSA-N 432.520 5.569 30 40 IKEB COc1cccc(Oc2ccc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)cc2)c1 409107393 ROCFTDMEWYIWNB-WSDLNYQXSA-N 443.253 5.614 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1cccc(F)c1 409168860 UPLLNVDTSNAKSJ-SSDVNMTOSA-N 431.492 5.341 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccccc1Cl 409174346 SNWZYRSJFXDCNI-UHFFFAOYSA-N 429.539 5.489 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 409213372 TVMCQORXHRECNB-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB CC(C)Oc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409300428 YXXQNKVWWYTIBT-UHFFFAOYSA-N 434.496 5.022 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(OC)c1OCc1ccccc1 409340250 SUUNLILHIGIXHY-XSFVSMFZSA-N 425.575 5.224 30 40 IKEB O=C1ON(c2ccccc2)[C@H](c2cccc3ccccc23)N1c1ccc(Cl)c(Cl)c1 2442075 GZCATTISNWQGAU-HSZRJFAPSA-N 435.310 7.224 30 40 IKEB O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CCCC2 2749415 OFRHXPHMDIEDAL-DHRITJCHSA-N 429.372 6.937 30 40 IKEB Cc1ccc(CN2C(=O)/C(=N\Nc3oc(-c4ccc(C)cc4)nc3C#N)c3ccccc32)cc1 8836562 QIWVQGIKMNMIQK-KRUMMXJUSA-N 447.498 5.193 30 40 IKEB CC(C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O 8875137 IJFTXIIWAWJZNS-NVMNQCDNSA-N 447.343 5.889 30 40 IKEB CCOc1ccc(C(=O)/C(=C/c2ccc(O)c(OC)c2)c2nc3ccccc3s2)cc1 8915653 USEKHNLHXVKRKA-RGEXLXHISA-N 431.513 5.833 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 9108765 AVZZHJNMFUSRLU-HXUWFJFHSA-N 434.835 5.031 30 40 IKEB N#Cc1ccccc1Cn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9196064 FLPGPRPNYQDQKV-XODNFHPESA-N 433.342 5.992 30 40 IKEB Fc1c(F)c(F)c(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)c(F)c1F 9463864 STTKSFUFAZDRBD-HIUVJMHLSA-N 448.782 6.092 30 40 IKEB COC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)c2c(Cl)cccc2Cl)cc1 12566794 AEVFNYLEFIKKQP-YYADALCUSA-N 439.298 5.387 30 40 IKEB CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccccc4)nn32)cc1 12589573 OBMCIYAZZWVEQS-DEOSSOPVSA-N 442.563 5.782 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1 13567902 FNCYWOXNKPDDAR-GOSISDBHSA-N 445.437 5.250 30 40 IKEB CC(=O)c1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1 16321998 JQNKBHCXXOEYKX-DHRITJCHSA-N 442.740 6.352 30 40 IKEB CCCCCOc1ccc(/C(Cc2ccccc2)=N/OC(=O)Nc2ccccc2)c(O)c1 16638560 DAJJHIFEAMYVOE-ZZIIXHQDSA-N 432.520 6.157 30 40 IKEB COc1ccc([C@@H](C#N)CC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 17022833 RGXFXLCNAOBHLD-OAQYLSRUSA-N 431.488 5.172 30 40 IKEB C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn23)CC1 21150379 AIUGXWJVMHARPH-UHFFFAOYSA-N 449.908 5.075 30 40 IKEB CCN(CC)c1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 100034327 CPMIXIKPSVXRPS-QHCPKHFHSA-N 439.596 5.392 30 40 IKEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](F)C[C@]12C 118933261 JEEUJGVJTLVJQM-OIELIUQCSA-N 439.365 5.082 30 40 IKEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 215734153 UCHLUDKLLRLIAY-UHFFFAOYSA-N 443.450 5.558 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 408702516 GTQCREIGRBTDDK-OAQYLSRUSA-N 427.928 5.042 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C(C)C)c(O)c(C(C)C)c1 408847308 UWHOBHVPLBWOCF-QHCPKHFHSA-N 445.559 5.771 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)S1 408847880 WNMMXUCSRGKZTQ-UCQKPKSFSA-N 448.519 5.613 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)S2)cc1 408962145 QIAKRHQGZIUBEN-PCLIKHOPSA-N 437.568 6.198 30 40 IKEB Cc1cccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1C 408965286 JXICEEYEPOOCMX-XDHOZWIPSA-N 442.371 6.293 30 40 IKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1c(C)cc(C)cc1C 408986226 OVPJEDHOQWVSTH-YSMPRRRNSA-N 430.569 6.919 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)C1=O 409071613 KPVBNKOOFBHMCM-DEDYPNTBSA-N 443.952 5.848 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2cccnc2)C1=O 409105946 KENKTVLPMAYWTL-NEAWXCLQSA-N 449.963 5.938 30 40 IKEB CCCCc1ccc(C2=C(Cl)C(=O)C(c3ccc(CCCC)cc3)=C(Cl)C2=O)cc1 1711804 XBASSERNWDMXAW-UHFFFAOYSA-N 441.398 7.124 30 40 IKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1cccc(C(F)(F)F)c1 2330518 LHRLYJAIXOCCJQ-OOAXWGSJSA-N 431.527 6.904 30 40 IKEB C#CCOc1ccc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc23)cc1 2367229 ALFGGTJTDMENEK-UHFFFAOYSA-N 430.305 5.815 30 40 IKEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 6077276 LIRXJRWOKNJMBE-CMJOXMDJSA-N 447.585 5.205 30 40 IKEB CC[C@H](C)Oc1c(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cccc1OC 8400448 LNIFIALKAWDNAG-JEOORSMKSA-N 440.565 5.123 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c1 13567958 UWUVTJPUJPKTCF-MRXNPFEDSA-N 429.875 5.024 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1Sc1ccc([N+](=O)[O-])cc1C=O 13574010 CATAJELJMMXTTG-UHFFFAOYSA-N 429.379 5.511 30 40 IKEB O=C(Nc1ccc(Cl)cc1)ON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20218510 CVRZSNNXQBBPLZ-UHFFFAOYSA-N 447.244 5.612 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cccc(C)c1 22010728 HZROBNPZHKYGFO-UHFFFAOYSA-N 428.355 5.177 30 40 IKEB O=[N+]([O-])c1cc(/C=N\Nc2nc3ccccc3s2)ccc1Sc1ccc(Cl)cc1 32116859 PFOIQZHRODKDDQ-UUYOSTAYSA-N 440.937 6.455 30 40 IKEB CC(=O)Nc1ccccc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 32124933 OLBKTIFBAKVWOS-OAHLLOKOSA-N 441.622 5.460 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 59105748 LWCDPVGSWHDCAM-VCHYOVAHSA-N 443.843 5.539 30 40 IKEB C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1 95869645 NTOCLTIRCOQHPW-VWLOTQADSA-N 427.500 5.213 30 40 IKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 97939933 HLSMWMDNSRJBQE-KRWDZBQOSA-N 427.541 5.380 30 40 IKEB O=C1/C(=N/Nc2ccc(/N=N/c3ccccc3)cc2)C(c2ccccc2)=NN1c1ccccc1 100005923 QOBBPSGGRWZDCJ-BCBHTFSPSA-N 444.498 6.321 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOCCCCCCCC)cc1 100283776 KAKUBYTYCKREAF-UHFFFAOYSA-N 448.692 7.705 30 40 IKEB CCCCCCCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 100312988 GDEFZAKVOAMTKT-UHFFFAOYSA-N 431.598 5.728 30 40 IKEB CCCCCCCOc1ccc(N[N+](=O)c2ccc(OCCCCCCC)cc2)cc1 100501900 JUKZRBBGFZSYTD-UHFFFAOYSA-N 427.609 7.823 30 40 IKEB C=CCOC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OCC=C 104371687 GCJWKOVZAOVXKZ-SANMLTNESA-N 438.693 7.565 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 253617212 NVFBLCBUSIGTCH-FNSTZISHSA-N 444.637 5.681 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(C#N)c(Cl)c3)cc2)cc1 408526123 QLIXGFIXPKLSCC-UHFFFAOYSA-N 445.990 8.001 30 40 IKEB CC(C)COc1ccc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc1 408739943 BYTPVZSOZNCIDG-ZDLGFXPLSA-N 431.355 5.376 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S1 408765720 ZPDVKHCMZLRKLK-PDGQHHTCSA-N 426.950 6.284 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408965235 JMBDWMNWTJYJFE-BXUJETTOSA-N 430.957 5.726 30 40 IKEB COc1cccc(/C=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)c1OC 408974850 HMCNYSOSNUPJPM-JVWAILMASA-N 443.572 6.557 30 40 IKEB C#CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1Br 409214893 ZOHHVEWOANLXNI-UFFVCSGVSA-N 441.550 5.936 30 40 IKEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cccc(Cl)c1 409306188 YXHFEVOXCRKMNB-UHFFFAOYSA-N 444.760 5.742 30 40 IKEB COc1ccc(/C=C2\C(=O)c3c(Oc4ccc(OC)cc4)cccc3[C@H]2c2ccccc2)cc1 3133477 KMGJEOONQRBYEI-RBRLEXCSSA-N 448.518 6.908 30 40 IKEB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 16575981 UPVPVPJSIQMNDG-UHFFFAOYSA-N 433.870 6.535 30 40 IKEB C=CCn1c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nnc1-c1ccco1 22188236 ODVFOHXYNCYFEP-UHFFFAOYSA-N 433.320 5.978 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccccc4OC)ccc3C2=O)c2ccccc21 28182534 DYAJMHFFXWIEHA-WGARJPEWSA-N 425.484 5.865 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)c(C)n1-c1ccc(F)cc1 59137105 WQFBGJYVTLUCBF-JAIQZWGSSA-N 425.916 5.778 30 40 IKEB CC(=O)/C(=C\c1ccc(Cl)cc1)C(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101400374 IGJATFBFRDNFAW-RCCKNPSSSA-N 443.886 5.205 30 40 IKEB Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C 101650975 PFGLRXSZRQRWKZ-OVJLLXBISA-N 436.364 5.200 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1 408592781 NVWGEQUWZYITKY-LQKURTRISA-N 435.483 6.302 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N\c3ccccc3Cl)c2C)ccc1I 408786099 LZCDOOSNMQUSSZ-FMCGGJTJSA-N 448.735 6.411 30 40 IKEB Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C 408872728 PEANBAAULIWOEW-OPEKNORGSA-N 444.318 5.209 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)N1C 408911064 ITVXYGZRRMAMSK-QMSJJHEMSA-N 447.516 5.959 30 40 IKEB N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccc(Br)cc3)cc1)CCCC2 408977840 FXIVXFMLTSYMOX-UHFFFAOYSA-N 434.337 5.423 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(C)cc1 409086839 HGGSBGICKKUYJC-XODNFHPESA-N 429.442 5.833 30 40 IKEB Clc1cccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 409200046 FXUPOKLRGJFPJJ-STBIYBPSSA-N 448.349 8.115 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc2c(cc1Cl)OCO2 409306584 PNWKOGMVCWGPLT-UHFFFAOYSA-N 443.846 5.074 30 40 IKEB COc1ccc(-n2cccc2C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409307420 SVJLVQPMRQBDPT-UHFFFAOYSA-N 426.520 5.126 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2399558 XYIBSIIAOJFINJ-UHFFFAOYSA-N 429.499 5.393 30 40 IKEB CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 2801646 HELZYYZRTNHBFB-SNVBAGLBSA-N 436.027 5.247 30 40 IKEB CCCN(CCC)c1ccc([C@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4043495 BIKKHJCWZKSEQT-DEOSSOPVSA-N 438.612 5.480 30 40 IKEB CCN(CC)CC(C)(C)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)CN(CC)CC)cc1 5759134 RHKBXWCHOOPPSM-XPWSMXQVSA-N 440.672 5.587 30 40 IKEB CCN(CC)c1nc(N/N=C/c2ccc(Cl)cc2Cl)nc(Nc2ccccc2)n1 8872684 RWQHBSPPYNPHIL-YDZHTSKRSA-N 430.343 5.214 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 9300557 SWEXRNUITMYTMM-MHZLTWQESA-N 446.591 6.419 30 40 IKEB CCOc1ccc(NC(=O)c2c(/N=C/c3ccc(OC)cc3)sc3c2CC[C@H](C)C3)cc1 9907658 CYZPROLUPJYXBY-DCMOEJRUSA-N 448.588 6.283 30 40 IKEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1ccc(Cl)cc1Cl 12275672 BJOBLMUYAOEIOH-BWAHOGKJSA-N 444.347 5.616 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)c1cccc3ccccc13)c1ccccc1N2 12652239 CYTHPCXEIGZFQS-HHHXNRCGSA-N 434.495 6.254 30 40 IKEB N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1 13148085 NOZFJVJCQZHKGF-HXUWFJFHSA-N 434.540 5.558 30 40 IKEB C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3cccc4ncccc34)c(C)c2cc1Cl 13627657 NPZICUVVBGXWIT-UHFFFAOYSA-N 448.906 5.439 30 40 IKEB COc1ccc(/C=N/c2cccc(C(=O)N(c3ccccc3)c3ccccc3)c2)cc1OC 14920528 UELHEDWTJGWYNV-ZTKZIYFRSA-N 436.511 6.433 30 40 IKEB COc1ccc(CN/N=C/c2ccccc2OCc2cccc3ccccc23)cc1OC 20195684 QUTVRSIWTHDBGM-RDRPBHBLSA-N 426.516 5.560 30 40 IKEB CCCCCCCCCCCCC(CCCCCCCCCCCC)C1CCCCC1 104108776 DLFCYTDOKTZLIJ-UHFFFAOYSA-N 434.837 11.805 30 40 IKEB CCCCCCCNC(=O)c1cc(Cl)c(Cl)cc1C(=O)NCCCCCCC 105633982 WGKIMMDUDXZTAE-UHFFFAOYSA-N 429.432 6.394 30 40 IKEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(Cl)cc1 138007846 OUIYKBDCGLZQAJ-WPWMEQJKSA-N 436.939 5.515 30 40 IKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 226334271 OAFJBVATJUNPSZ-XBXARRHUSA-N 425.681 5.563 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3Cl)S2)cc1 408739812 ASBPPVRMAMWYIH-OVCLIPMQSA-N 427.740 5.937 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl 408781917 CZGJJYPWQXJXHJ-CNEDASOKSA-N 433.360 5.167 30 40 IKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)ccc1Cl 408853931 SXPOKHCTFOTJPW-OPEKNORGSA-N 445.302 5.636 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409202135 PDLCJEBGNSFHFZ-WYMPLXKRSA-N 431.275 6.240 30 40 IKEB CC(C)Oc1cccc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c1 409281968 FRMQQTXBWRPHAN-UHFFFAOYSA-N 442.357 5.126 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 781197 ITXHUVWRPATFIF-NYHFZMIOSA-N 425.525 5.200 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2sc(-c3ccccc3)cc2c1=O 1895939 VYZQSNXIIGFYDM-UHFFFAOYSA-N 436.533 5.425 30 40 IKEB N#Cc1c(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)sc2c1CCCCC2 3294851 CJXVHELQIMGMNP-UHFFFAOYSA-N 445.919 5.687 30 40 IKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C)cc1Cl 4107817 IDJDDALRJPOVCS-ZTWBIXGRSA-N 436.389 5.906 30 40 IKEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 6474996 SPICJYJHSFWNHN-VJBWXMMDSA-N 441.943 5.686 30 40 IKEB CCCCCCCCN1C(=O)/C(=C/Nc2cc(Cl)ccc2C)C(=O)N(CCCC)C1=O 8431340 KNEACJZTYDHWJP-LVZFUZTISA-N 448.007 5.896 30 40 IKEB CC(C)(C)[C@@H]1CCc2nc(SCCC3OCCO3)c(C#N)c(-c3cccs3)c2C1 8451235 UYTOXDHIMRELBA-OAHLLOKOSA-N 428.623 5.688 30 40 IKEB CCCCSC(=O)[C@]1(C)CC[C@H]2[C@H](CC=C3C[C@@H](OC(C)=O)CC[C@@]32C)[C@@H]1CC#N 8616312 JFFSTLYNUSZJBJ-SGEJCHJDSA-N 431.642 6.061 30 40 IKEB O=C(/C(=C/c1ccc2c(c1)OCO2)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 8627256 LFXXYWDJQRZCLJ-XIEYBQDHSA-N 441.527 5.313 30 40 IKEB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1 8809623 FVYFDMIJOXJRSQ-UHFFFAOYSA-N 435.552 6.327 30 40 IKEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 9379757 HZYBHUSUBXHFHT-NSFRLNINSA-N 449.428 5.888 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 9479857 MSPWUMIMGUDSFS-UHFFFAOYSA-N 434.952 5.669 30 40 IKEB CCOc1ccccc1/C=C1\Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O 11869312 JWZJAEWAIXGUFI-FMCGGJTJSA-N 441.310 6.587 30 40 IKEB C=CCN1c2ccc(Br)cc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc13)O2 16605529 VVYGYEBVKIEEHJ-VWLOTQADSA-N 432.361 6.688 30 40 IKEB CCC(C)(C)[C@H]1C/C(=C/c2cc(C#N)n(C)c2C)c2nc3ccccc3c(C(=O)O)c2C1 25426030 MRWPCWXVFOXYEM-LOHYDARVSA-N 427.548 5.991 30 40 IKEB CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO 32840969 NVQGQHXFWUBOAU-IMHHWWNFSA-N 440.709 7.261 30 40 IKEB endogenous,in-man C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C 38605938 GESZMTVZGWZBPW-IHIDZKKCSA-N 442.728 7.306 30 40 IKEB biogenic,in-vitro CCCCCCCCCCOc1ccc(NC(=O)NCCOCc2ccccc2)cc1 100282468 GBYNBHQEZSUWNN-UHFFFAOYSA-N 426.601 6.544 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N/c1ccccc1 100297130 CZQLAKQHNHBYLF-KWZOLKRCSA-N 432.501 5.659 30 40 IKEB N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2 100926213 CPTZNPORQSWBKT-LRGYGIHKSA-N 428.598 5.525 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 108204669 FGVVFKKUMJXJRS-INIZCTEOSA-N 426.973 5.209 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(Br)cc3)cc1)N2 253559822 AARNPXITCXVHCB-OYKWSXSVSA-N 443.388 7.335 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)cc1Cl 408575854 NTOOLZNCTWPMPO-UHFFFAOYSA-N 431.875 5.129 30 40 IKEB O=S(=O)(NCc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)o1)c1ccc(Cl)cc1 408783598 NJWZDZLUEVSNPM-LSHDLFTRSA-N 443.739 5.469 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)c([N+](=O)[O-])c1 408936716 HHOJHIQIZJNNFV-KSEXSDGBSA-N 444.806 5.321 30 40 IKEB O=C1NC(=Nc2cccc3ccccc23)S/C1=C\c1ccc(Sc2ccccn2)o1 408989007 GLWBLMMSPMAPGV-RGEXLXHISA-N 429.526 5.871 30 40 IKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 409086148 FXAYTFHIJRVRQC-WPWMEQJKSA-N 436.939 6.500 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccccc1OCc1ccc(F)cc1 409121271 XSLYVUULOOIAMA-RPPGKUMJSA-N 433.361 5.778 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc2ccccc12 409212672 RONVGVHMJCJCQA-OCSSWDANSA-N 443.974 7.838 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781254 LNQPVILKDZBTBG-ZHRRBRCNSA-N 425.525 5.200 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2cccc(Cl)c2)o1 797810 GHXRYOQNKCPDCB-NRFANRHFSA-N 431.875 5.341 30 40 IKEB Oc1cc(O)c(/C=N/c2ccc3sc(-c4ccccc4)nc3c2)cc1Br 974061 HJILGPZMXYAJAD-SSDVNMTOSA-N 425.307 5.888 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1OC 2082257 QXYJCFCFJPHJHK-LMTJQJACSA-N 444.556 6.129 30 40 IKEB COc1ccc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)cc1Cl 3084845 KGGJCHCEACOYHK-WYMPLXKRSA-N 441.712 6.670 30 40 IKEB Cc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)C)cc2)c(C)c1 4288227 YUGUWXRCOXBWJN-UHFFFAOYSA-O 448.568 5.673 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c(C)c1 6195305 AXVOOBOVMQRASC-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB CCOc1ccc2nc(-c3ccc(NCC(=O)Nc4ccccc4C#N)cc3)sc2c1 9338592 WRWGYMSWNAPRRK-UHFFFAOYSA-N 428.517 5.284 30 40 IKEB Cc1ccsc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 15945603 RPSZMEKANDWJCC-CIRUFVMISA-N 436.646 7.272 30 40 IKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(NC(C)=O)cc1 16688059 ZALKSRDRPINKRS-KEBDBYFISA-N 440.135 5.319 30 40 IKEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 35419271 SWXIQYPCVQGIKS-UHFFFAOYSA-N 443.333 5.126 30 40 IKEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 59435687 DPFPZCVCEARJKA-KOEQRZSOSA-N 439.511 5.451 30 40 IKEB CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC 95680706 ZVUNTIMPQCQCAQ-UHFFFAOYSA-N 426.682 7.915 30 40 IKEB in-vitro COc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@](C)(c2ccc(Cl)cc2)CC3(C)C)cc1 100117587 IUDYNTLFXDEGGH-AAOMCQSUSA-N 444.962 6.304 30 40 IKEB Cn1cnnc1Sc1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 100269289 RGZJWFOVCBYCII-FSJBWODESA-N 429.461 5.525 30 40 IKEB O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1cc2ccccc2o1 102803351 MVZFIDBCXKXFHX-GHNGSUTGSA-N 436.876 5.169 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)s1 136454975 ITBAVBBDPGOBRV-TULHVXHQSA-N 444.585 5.521 30 40 IKEB Cc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223611375 CFWZJHUKQBKNHS-TZDDYMTFSA-N 426.604 8.039 30 40 IKEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 409126567 CQNQBHCXPIYIBE-WQRHYEAKSA-N 443.311 5.654 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c(C)c1 409216551 MCUYMLSYVTYVAI-DHRITJCHSA-N 438.321 6.094 30 40 IKEB O=C(O)c1ccccc1-c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)o1 409300837 YKEXVFWDXQAMDJ-UHFFFAOYSA-N 441.487 5.285 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 780246 VPVRQAWKLIZSLD-UHFFFAOYSA-N 443.543 5.284 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc12 2393533 LJRKCTDMZOMXGN-UHFFFAOYSA-N 445.567 5.173 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2cccs2)cc1 6157002 IADRAYWMJXEQEO-UPCLLVRISA-N 427.529 5.522 30 40 IKEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 9272253 QKQMMWKKUAROFK-CCDWMCETSA-N 435.914 5.624 30 40 IKEB CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 9272884 YBKMOOLMLHACHQ-QFIPXVFZSA-N 432.907 5.189 30 40 IKEB Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2Cl)[n+]2ccc(N(C)C)cc2)cc1C 9403087 JOTMTSKVNVNWAH-UHFFFAOYSA-O 439.004 5.361 30 40 IKEB C=CCn1c(-c2cccs2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 15022062 XXICRRJCBYHUCC-VHXPQNKSSA-N 433.606 5.681 30 40 IKEB CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 15228427 JXNWEZKXEBAMRW-UHFFFAOYSA-N 442.506 7.110 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccc(C(C)(C)C)cc3)n2)cc1 15831972 DVGBOMJJYNWWNK-UHFFFAOYSA-N 432.549 5.058 30 40 IKEB COc1ccc(N/C(=N/c2ccc(I)cc2)c2ccccc2)cc1 16216891 HJQZDVJAVFNKDN-UHFFFAOYSA-N 428.273 5.490 30 40 IKEB COc1ccc(CN/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1OC 20195726 AZTLEMYLYXQMOR-OGLMXYFKSA-N 426.516 5.560 30 40 IKEB COc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 30684114 YIIGEADLQIYKRE-IMRQLAEWSA-N 435.955 5.084 30 40 IKEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1 35311705 WRNMFXADFSTZQB-UHFFFAOYSA-N 439.540 5.903 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463699 FJMOPPMLJWQWDQ-ZVHZXABRSA-N 444.472 6.353 30 40 IKEB O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/Nc1cccc(Cl)c1 84572876 MYTGACXHQJZDJL-JFLMPSFJSA-N 440.890 5.745 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 118914864 NVFBLCBUSIGTCH-XGPYINPKSA-N 444.637 5.681 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)S/C1=N/c1ccccc1 208235241 RRMWORPIGHMGPE-LNDJBHNWSA-N 433.621 6.341 30 40 IKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC 408944177 TWXSEAHYFCZLPF-NXDGOGJJSA-N 436.555 6.837 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)cc1Cl 409012840 LKBIIFSSWFSHFM-GIZWUGLGSA-N 444.984 6.150 30 40 IKEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 409068827 IXIYRAGEFMNUIZ-ZMOGYAJESA-N 426.860 5.067 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)[nH]c2ccccc12 409309333 FOZCORVXIOJEJF-UHFFFAOYSA-N 437.341 5.174 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 2254400 RAEQNQWAFWENMY-UHFFFAOYSA-N 444.600 5.944 30 40 IKEB biogenic N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)cc1 3397557 KHVSMKNIPUPFTH-UHFFFAOYSA-N 428.542 5.621 30 40 IKEB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N\Nc1ccc(Cl)cc1Cl 5492550 OTRHENSUVFJNDC-LGFPMUJSSA-N 444.233 8.752 30 40 IKEB CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S/C1=N\c1ccccc1 8452573 PAJLDDXCQWORLE-GCXIQGEKSA-N 434.948 6.153 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8820937 OUTNPUVGOKRQJM-VCHYOVAHSA-N 449.746 6.798 30 40 IKEB CCCCOc1ccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1OCC 12824268 QKEMRGMJMDOUGN-UHFFFAOYSA-N 448.519 5.172 30 40 IKEB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1c2ccccc2cc2ccccc12 15016289 NMNLBHGUTUBHJC-HMAPJEAMSA-N 448.469 6.903 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 15826268 MTMYSPZMMJHIKN-RUZDIDTESA-N 442.584 6.513 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1 18107293 WODPAPKCXDYOQJ-DNOBIOAJSA-N 444.531 6.354 30 40 IKEB COc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3cc(Cl)ccc3n2)cc1OC 20259277 PJMHXLKAMAWQJB-UHFFFAOYSA-N 449.919 5.758 30 40 IKEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3c3cccnc3)C2=O)cc1 20762850 NSPKOYAWBNWQTQ-GEGYVFIFSA-N 442.515 5.139 30 40 IKEB biogenic Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Sc2ccc(F)cc2)cc1 32828923 MUJFHYBDVPHPJZ-NRFANRHFSA-N 449.532 5.267 30 40 IKEB O=C(/C=C\c1cc2cccc3ccc4cccc1c4c32)c1ccccc1OCc1ccccc1 33376555 UWKXWDDLKZWNKW-HNENSFHCSA-N 438.526 8.059 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 44858814 MMRRFQVNMZCMQB-HSZRJFAPSA-N 426.520 5.102 30 40 IKEB CCCCCCCCn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 97954416 YQNNQZJYLMTWRK-UHFFFAOYSA-N 439.604 5.072 30 40 IKEB CCCCCCCCCCCCCCCCNC[C@@H](C)Oc1ccccc1[C@@H](C)CC 100023674 XWWTVMGSPSROHZ-RRPNLBNLSA-N 431.749 9.038 30 40 IKEB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccc(C(=O)O)cc1 100215417 WPBUVAKQMYQRSP-INCSMEFSSA-N 444.512 5.198 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(C)[C@@H](O)C[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118930124 AJBZENLMTKDAEK-DFQXBVIOSA-N 442.728 6.996 30 40 IKEB Oc1ccccc1[C@@H]1O[B@-]2(c3ccccc3)Oc3ccccc3[C@@H](O2)P1c1ccccc1 245380769 LAMSCGQCKVKHMM-UXRUYEHMSA-N 439.236 5.182 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 408542367 LHWXWPIVJAFHRU-LQKURTRISA-N 440.499 5.404 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 408793591 FTHCMEULKIIOIA-XMMPIXPASA-N 438.527 5.144 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)NC1CCCCC1 408796609 ATYDQALECDKDBW-CFRMEGHHSA-N 433.321 5.167 30 40 IKEB COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OC(=O)c1ccc(C)cc1 408887069 LVFAMACFMTVVNC-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB COc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 409070072 XHZMHKXHKXIGHK-BRJLIKDPSA-N 432.402 5.476 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)S/C1=N/c1ccc(Cl)cc1 409088496 KBVHIUGSJLGZKU-REHDBGDWSA-N 441.984 5.191 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)[nH]c2ccccc12 1531343005 ZVOASXQEVCZZEI-LFWZTCNZSA-N 437.341 5.344 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 781196 ITXHUVWRPATFIF-OYHNWAKOSA-N 425.525 5.200 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O)c1ccccc1Cl 2138089 CCNZNRUGWYXXLW-FMCGGJTJSA-N 430.843 5.494 30 40 IKEB biogenic O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1 2246798 XXQXNPFDFHFSKC-LJQANCHMSA-N 429.701 6.180 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(Cl)c1 2449284 MXGORDIFCTUSAK-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(COCC(F)(F)C(F)F)cc3)c2C#N)C1 2727886 ZWBAPQVGRLOZAO-LBPRGKRZSA-N 440.462 5.414 30 40 IKEB O=C(O)c1ccccc1N/N=C/c1ccccc1OCc1ccc(Br)cc1 4084731 UTHZSAPTYAGCAN-YDZHTSKRSA-N 425.282 5.172 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 9761171 DNJULKZQAGXJOT-ZLNRFVROSA-N 425.488 5.171 30 40 IKEB N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 13109369 PMMLZTGOZKWWGR-UHFFFAOYSA-N 425.271 5.328 30 40 IKEB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 13550176 YIWJNARZULXWKH-NJMAKWBESA-N 435.892 6.057 30 40 IKEB Cc1c(Br)cc(/C=N/Nc2nc3ccccc3s2)cc1Br 14408403 BHTFTSWDQMGSPU-QGMBQPNBSA-N 425.149 5.576 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(CC#N)cc3)cc2)cc1 16638589 BVWUGMAWNPGDFQ-ZTKZIYFRSA-N 426.516 6.291 30 40 IKEB CSc1nc2ccc(/N=C/c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)cc2s1 59483318 XGXKFEQRKRLFBK-WSDLNYQXSA-N 438.559 6.223 30 40 IKEB CCCCCCCCCCCCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 70670017 WHLBCNRCXJZXMF-CDJZJNNCSA-N 428.610 5.320 30 40 IKEB biogenic Fc1ccc(/C=N/c2ccc3nc(SCc4cc(Cl)ccc4Cl)sc3c2)cc1 100413606 TZRXXKSCJKLLOI-OPEKNORGSA-N 447.387 7.785 30 40 IKEB COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCC#N 106716419 KFWXTVBXENJOCN-ZDLGFXPLSA-N 449.315 5.141 30 40 IKEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCc1ccccc1C#N 135824225 DRBZEPUQUANTNL-CRDFWNHQSA-N 447.541 5.020 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408668293 DLKZUBPHBDKNIR-ZWSUVBHBSA-N 438.612 6.248 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1Cl 408738714 MZAIIUDDKKBYJU-XKZIYDEJSA-N 434.948 6.119 30 40 IKEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(I)cc1 408786123 MOHFYRFKIQKJDF-JJFYIABZSA-N 444.272 5.178 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 408875802 HSSWTNQIVGYAOE-PXSHAUCYSA-N 436.577 5.887 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1 408890334 RNXHSNFLHUYNJX-NDENLUEZSA-N 435.461 5.063 30 40 IKEB CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)S/C1=N\c1ccccc1 408905723 CXOFTVFEXQHORM-JRLDGGGSSA-N 447.354 5.177 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c(C)c1 408987864 ZIOFAFRMRDJPJR-STZFKDTASA-N 436.621 6.496 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O 409095515 IETQXHFPMRZQJP-WNOHRPASSA-N 448.975 6.543 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409210818 MOSBIYASIIZAKE-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB CC[C@@H](C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 409404971 RSKPMQDBCJPZMB-GOSISDBHSA-N 427.504 5.132 30 40 IKEB CC[C@H](C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 1531384351 GQPXVPPTFIXUSW-GNYKCMPYSA-N 442.475 5.031 30 40 IKEB N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3292497 OOCUOZDGTOKSNN-UHFFFAOYSA-N 447.903 5.284 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1occc1C 3351280 FUFWGUZHRMBFSV-UHFFFAOYSA-N 430.533 5.430 30 40 IKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC1CCCCC1 4029059 UOIHMGVGVVIAEA-KCPWBINCSA-N 441.656 6.586 30 40 IKEB biogenic CCCc1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 8455842 HCMGLAPIZHKWBI-UHFFFAOYSA-N 430.573 6.282 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820957 UKHMWBYBLSYKCC-VCHYOVAHSA-N 449.746 6.798 30 40 IKEB CCCCCCC(/C=N/n1c(O)nc2c([nH]c3ccc(F)cc32)c1=O)=C\c1ccccc1 8927534 VPINXZQWBLHRBQ-DXSSFCHOSA-N 432.499 5.610 30 40 IKEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccco1)N(C(=O)c1ccco1)c1ccccc1N2 9264371 IZHRCDYDYOIOKV-PUAOIOHZSA-N 440.455 5.680 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3CC)c2c1 15880455 UKUADUCIZNMZLC-UHFFFAOYSA-N 441.527 6.878 30 40 IKEB biogenic O=C(Nc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1)c1ccco1 16430185 BKTXIHFTJPBCNB-ZVHZXABRSA-N 435.277 6.305 30 40 IKEB CCOc1ccc(C(=O)C2=C(SCC)S[C@H](c3ccc(Cl)cc3)CC2=O)cc1 26896902 XUOCAUYMKJWQGK-IBGZPJMESA-N 432.994 6.333 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c2ccccc21 28182542 JTYFRPCPTDKOQO-QFEZKATASA-N 443.930 6.818 30 40 IKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 58989292 FLRHLDIIQIUPTO-KRWDZBQOSA-N 426.259 5.809 30 40 IKEB CCOc1ccc(/C=N/c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1 59474870 RFEGRZVNCXNHHS-DFKUXCBWSA-N 443.550 7.356 30 40 IKEB COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)c(OC)c3)[C@H](c3ccccc3)C2)cc1 102960395 KYNOUCMSUPMWLO-BJKOFHAPSA-N 427.504 5.128 30 40 IKEB CS/C(=N\C(=O)c1ccccc1)SCCS/C(=N/C(=O)c1ccccc1)SC 104284176 JIGNBDBBGJSZTO-FLFKKZLDSA-N 448.660 5.572 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\S/C(=N\c4cccc(C)c4)NC3=O)cc21 223510338 KQLYPNWDGGFVQB-OYKKKHCWSA-N 445.632 6.605 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 408590178 GPMDCPZDEDCWHR-ZMOGYAJESA-N 426.856 5.387 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 408772386 LFVBTYHVGBVYBG-YVLHZVERSA-N 449.746 6.798 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 408793472 FAMFCCYAXNJHEG-XMMPIXPASA-N 438.527 5.144 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1Br 408866335 HPEISWMSRXHJSN-BOPFTXTBSA-N 433.302 5.045 30 40 IKEB COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)cc1 409175510 ZQVMWOGLIYGPHK-YDZHTSKRSA-N 443.528 5.211 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409208371 BEBFXLOQEZUEFV-MFKUBSTISA-N 443.952 5.874 30 40 IKEB C#CCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC 409211954 OVNALAVIUYVLCG-LPYMAVHISA-N 433.289 5.069 30 40 IKEB CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC 8403711 HYCZJKCVFPLUDE-UHFFFAOYSA-N 438.564 5.884 30 40 IKEB COc1ccc(C(=O)/C=C\c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 8733356 YCYQULDYTBVOSU-AUWJEWJLSA-N 436.529 5.284 30 40 IKEB C/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccc2noc(-c3ccc(F)cc3)c2c1 8781658 WKWJIWMHZHPNDB-IPBVOBEMSA-N 448.807 6.537 30 40 IKEB CCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S1 8821218 GMCWDYUCFIHOAP-XDHOZWIPSA-N 443.355 6.707 30 40 IKEB COc1ccccc1COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 9421930 GILGVDMLVJYXSX-AFUMVMLFSA-N 425.484 5.691 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 13567789 FCBBOMGSRKHLDF-IBGZPJMESA-N 449.547 5.185 30 40 IKEB C=CCN(Cc1nc(N)c2c3c(sc2n1)CCCC3)Cc1ccc(Br)s1 14071334 PQLDUCXWNNVWHT-UHFFFAOYSA-N 449.443 5.165 30 40 IKEB O=C1C(=O)N(c2ccccc2)C(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 17154880 ZWNJGNCJOKAGTH-ZUSIYWPSSA-N 444.494 5.527 30 40 IKEB Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C)nc3sc4c(c23)CCC4)cc1 23406860 HMDBGICISPUTHV-OAHLLOKOSA-N 436.606 5.224 30 40 IKEB O=C(Oc1cccc(/C=N/c2ccc3ccccc3c2)c1)c1sc2ccccc2c1Cl 59503593 RVSKCBNTNGJOJO-LQKURTRISA-N 441.939 7.678 30 40 IKEB C=C1S/C(=N\c2ccc(Cl)cc2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 100010439 FGISEVKWJRNNCV-XLNRJJMWSA-N 440.787 6.289 30 40 IKEB COc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102490615 BRFUGELAKLJUHF-JBCNATCCSA-N 437.854 5.114 30 40 IKEB C/C(=N\c1cc(C)ccc1O)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 104092024 XJPRVQPPZQZMHY-BHGWPJFGSA-N 432.427 5.361 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)nc(SC(=O)N3CCCC3)c2C#N)cc1OC 215680321 NPQZZIPNGJRRSV-UHFFFAOYSA-N 445.544 5.612 30 40 IKEB C=CCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccc(Br)cc12 226360549 LQVAQZNCQIPRNW-UHFFFAOYSA-N 432.317 6.469 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)C#Cc2ccccc2)C1 253617573 WKXDFOKWTASGPK-YLNNJOKSSA-N 432.604 5.664 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Br)ccc1OCc1cccc(F)c1 408593513 AEYFAVNELSOZOV-LGJNPRDNSA-N 439.284 5.590 30 40 IKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c1C 408879694 DTTFMLVBTYWVMP-MTJSOVHGSA-N 439.943 6.087 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 408925213 QMSWTBGATNKVQP-YZSQISJMSA-N 430.529 5.040 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1C[C@@H]1CCCO1 408961339 RRWKAHGHBRMJLQ-QAARQCQPSA-N 433.577 5.070 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)S/C1=N/c1ccc(F)cc1 409236731 HBJYXIIBZAGHKJ-CKAZZZDQSA-N 435.318 5.221 30 40 IKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409317490 ULGWYBIAONIADK-UCQKPKSFSA-N 431.513 5.351 30 40 IKEB Clc1ccc2nc(-c3ccco3)c(/N=C/c3ccc(I)cc3)n2c1 1030037 OBOPCDCUKFZRLP-UFFVCSGVSA-N 447.663 5.603 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCC(C)C)c1 1457578 UJWDWCLPKQFNQL-MHZLTWQESA-N 446.591 6.274 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2 2254768 ZDCIXMVQIMUCDE-UHFFFAOYSA-N 428.601 6.244 30 40 IKEB Cc1ccc(S(=O)(=O)NN=C2CCCC(c3ccccc3)(c3ccccc3)CCC2)cc1 5014855 KNDYXZITKHRMJS-UHFFFAOYSA-N 446.616 5.970 30 40 IKEB CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 6077086 LGRSYDUNFLNQCE-UHFFFAOYSA-N 438.524 5.061 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1Cl 6474358 RKEZKYWFSDFBBN-UHFFFAOYSA-N 447.390 7.886 30 40 IKEB N#Cc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2 8432274 GRYABEUGUGJAEO-HSZRJFAPSA-N 432.614 6.751 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 8821208 SJTRJAPMCCKMTA-SXGWCWSVSA-N 426.847 5.649 30 40 IKEB Cc1c(/N=C/c2cc(Br)cc(Cl)c2O)cccc1-c1nc2ncccc2o1 9678927 TYAGBEZJFVMDON-YSURURNPSA-N 442.700 6.070 30 40 IKEB C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 10240473 WFJIPMXVPDBLCP-HNNXBMFYSA-N 444.963 5.235 30 40 IKEB N#CC(=N/Nc1cccc(C(F)(F)F)c1)/N=N/c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 16399228 POURWCQMABBBRZ-YNWJTUIPSA-N 430.268 5.665 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 18195188 XMGNDLKGRYGTTB-SGANQWHYSA-N 440.524 5.834 30 40 IKEB CCOc1ccc(C(=O)/C(=C\c2cc(OC)ccc2OC)c2nc3ccccc3s2)cc1 27018264 VTXPLMDXKUBAQA-LTGZKZEYSA-N 445.540 6.136 30 40 IKEB C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C=O)CC[C@H]1C 40880160 VLFUANNVMXKBPF-ZAPOICBTSA-N 440.712 7.204 30 40 IKEB biogenic CCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1Cl 59664021 VNVOCTHQEDYSEK-ZXVVBBHZSA-N 429.988 7.698 30 40 IKEB COc1ccc(-c2[nH]nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2Cl)cc1 95671230 ZMVAMPSKIYWHPY-UHFFFAOYSA-N 426.666 5.663 30 40 IKEB Cc1cc(/N=C/[C@@H](C#N)c2ccc(/C(C#N)=N/c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O 100366071 ICDYXACODOPILD-BGPXMMMASA-N 448.530 6.421 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1CC 408564072 XKZMGFFOAUKWFN-UHFFFAOYSA-N 428.524 5.561 30 40 IKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2c1 408786259 NJWFVXLEQLDAAZ-HZHRSRAPSA-N 439.540 6.044 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408873821 XEHFUEMNQQYANE-ANVNVQHLSA-N 437.521 5.483 30 40 IKEB COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OC(C)C 408909285 GXTRZTBMIGSUOT-YUMHPJSZSA-N 448.588 6.426 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)C(=O)N2C)cc1 408914492 VAICUVVAYCYNRN-GRUKXCDCSA-N 433.489 5.705 30 40 IKEB Cc1c(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cccc1[N+](=O)[O-] 409080550 LOTUWHBFVRXHTM-JZNDDVEWSA-N 447.560 6.998 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)N1C(C)C 409211548 OERBMHWCTBDCPY-XHFTXJRRSA-N 438.549 5.053 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 409215535 ARIOHBRSPQPDEV-LQKURTRISA-N 444.372 7.549 30 40 IKEB COc1ccc(Cl)cc1C=Nn1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 409297846 LHJCAYDVVULBKV-UHFFFAOYSA-N 448.748 5.001 30 40 IKEB C=C[C@H](CCCCCCC)[C@@H]1C2=C(C(=O)[C@H]3[C@H](C)[C@@H](C=C4CCC[C@H](C)[C@H]43)O2)C(=O)N1O 1772591266 PMCQKTPMBJJHIX-VJCJHBGBSA-N 441.612 5.600 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)Nc1ccccc1F 1022735 RBDMPKMBAGHIQX-WYMPLXKRSA-N 437.521 5.622 30 40 IKEB N#C[C@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1 1675870 APFZSRPPJUQXLR-ZEQRLZLVSA-N 431.333 5.498 30 40 IKEB Oc1cc(/N=C/C=C/c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 2052785 VZVIXTXZGMNUNK-UMKNWRDPSA-N 425.340 7.391 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 2151319 DGRQHEBQMCKXCC-VWLOTQADSA-N 434.539 5.659 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1cccc(OC)c1 9307620 RFMYMQFXECXETJ-UHFFFAOYSA-N 436.581 5.213 30 40 IKEB C(=N/n1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\C[C@H]1CCCO1)\c1ccccc1 12565678 RSKFGJDTOHSWPD-ANZKPETPSA-N 439.584 5.846 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1cccc(C(F)(F)F)c1 27015880 CMYDKTBWKIVQDK-MEFGMAGPSA-N 431.483 5.921 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)s1 33535117 HMBJRYXRASHMAK-RMMZUQQZSA-N 436.606 5.543 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c(OC)c1 59484361 RIKJBNNRUAVHNM-WGOQTCKBSA-N 429.545 6.249 30 40 IKEB CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 97954403 GKYPMMOJAPYGJJ-OAQYLSRUSA-N 433.596 6.316 30 40 IKEB CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 100166415 NRTYLZACQRNWSO-LGMDPLHJSA-N 447.402 7.936 30 40 IKEB COc1ccc(Cl)cc1/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O 100288618 NTRYXUIJYKWNEW-WNIMSWJZSA-N 448.975 6.021 30 40 IKEB O=C1C2=C(N=C3C[C@@H](c4ccco4)CC(O)=C3[C@H]2c2ccc(Cl)cc2)c2ccccc21 102882303 RNPXVCHPKMMSBO-IVZQSRNASA-N 427.887 6.469 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C)cc2)cc1 102883957 LKDWWGIPGQVYER-HOGKFDNTSA-N 440.524 5.539 30 40 IKEB Cc1c(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 137811265 YJSFJYWCIIBBIS-ZDYYVWHCSA-N 447.560 6.011 30 40 IKEB N#Cc1ccccc1COc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408574516 UZXAPUINOJFUJW-OAQYLSRUSA-N 431.879 5.681 30 40 IKEB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(OCC#N)cc2)C1=O 408809185 QXCVSJPRFOQMCM-ZUZVBVLKSA-N 432.569 5.643 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408912988 OWRWSVMKUVGGRH-LEFCRYGDSA-N 438.593 6.193 30 40 IKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409203918 ZXEBOJWPXNQXCX-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB O=[N+]([O-])c1ccc2c(/C=N/c3ccc4oc(-c5ccccc5F)nc4c3)c(O)ccc2c1 793521 YKMRHKROJKTGSX-LGJNPRDNSA-N 427.391 6.152 30 40 IKEB COc1ccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 989249 IWPHIAJEQFKOPY-UHFFFAOYSA-N 434.464 5.684 30 40 IKEB COc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1Cl 3113773 XMEABQGXSZSJTQ-OPEKNORGSA-N 431.706 7.214 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1 8437368 BNBBLDQDZZCMRB-OAMFTAOGSA-N 445.320 5.651 30 40 IKEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC3CCCCC3)n2)cc1 8445785 DOKDMEICTIOQNM-UHFFFAOYSA-N 449.019 7.622 30 40 IKEB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1/N=C/c1ccc(-c2ccccc2Cl)o1 8818908 OAQYHCADWPXUEV-UGWHWXBPSA-N 442.924 5.974 30 40 IKEB Cc1cccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 8990380 YGDKRWHBKSECKE-MTJSOVHGSA-N 426.877 5.032 30 40 IKEB N#Cc1cccc(CSCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1 9836303 FSHDGGJKXKSZJS-OAQYLSRUSA-N 435.936 5.416 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccccc1 12363580 NCUQQABARUJCAN-KWPJTZOTSA-N 426.541 6.056 30 40 IKEB C=CCSc1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 12733496 OERJBRHKDATMFR-UHFFFAOYSA-N 447.585 5.350 30 40 IKEB Cc1cccc(C)c1NC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 20230577 IJDSMWBDXLVXTQ-UHFFFAOYSA-N 448.617 5.017 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccc(Cl)cc2)cc1C 44859306 PKLYIZKICICVOF-QHCPKHFHSA-N 446.938 5.428 30 40 IKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@H]1O 85210683 ZGLHBRQAEXKACO-JGIJXFTMSA-N 428.657 5.727 30 40 IKEB O[C@](C#CCN1CC[C@H](c2ccccc2)C1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 96194497 ZIVDJFZROQALFF-BHDXBOSCSA-N 443.590 6.082 30 40 IKEB CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525331 KWSOVEIIAOHQON-UHFFFAOYSA-N 440.190 6.941 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)cc21 223484850 OVRILADWSXBJTO-OYKKKHCWSA-N 445.632 6.605 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408668288 DLKZUBPHBDKNIR-QFZRFWILSA-N 438.612 6.248 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OC)c(Cl)c1 408846023 XFIHSLZQUFLPLZ-GOSISDBHSA-N 444.314 5.134 30 40 IKEB O=C1ON=C(c2ccc(Br)cc2)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1 408973295 ALWJYZTXYDWQLJ-ZHZULCJRSA-N 448.272 5.013 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1OC 409088124 DHQWUOQZMWUCGU-PUMVZNGMSA-N 427.526 5.447 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccccc1OCc1ccc(Cl)cc1 409104429 ZPACJODKLUQYFK-RPPGKUMJSA-N 449.816 6.292 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=C/C=C/c2ccco2)cc1C(C)C 409276576 SYKWWRLAQCYEQD-VSFWQODUSA-N 441.531 6.034 30 40 IKEB O=C(c1ccc(C(F)(F)F)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243047 VIXWICXPCRYOQC-UHFFFAOYSA-N 426.584 6.010 30 40 IKEB CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C#N)c1C 995758 VZCGBAQSCIXZDI-VQHVLOKHSA-N 436.364 5.369 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 1080232 LPASXEOEVJVMQJ-WINIVTDRSA-N 446.506 5.922 30 40 IKEB Cc1ccccc1/N=C/c1cc(Cc2ccc(O)c(/C=N/c3ccccc3C)c2)ccc1O 3168092 IPBJBDFQJSIJGJ-GFTXTJKWSA-N 434.539 6.807 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccnc3)sc2c1 6193473 DCNKZFLYBRJGTL-NRFANRHFSA-N 441.512 5.091 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(Br)cc3C)NC2=O)cc1Cl 8451541 JGMVFJLFZKPFLZ-CXUHLZMHSA-N 437.746 5.311 30 40 IKEB O=C(Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccccc1)c1ccc(F)cc1 8867482 GOLFEMRQFDLCAE-AFUMVMLFSA-N 432.480 5.353 30 40 IKEB Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 9370833 JJOJGHBTMVKRMC-XKVZMTQCSA-N 429.903 5.831 30 40 IKEB Cc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nc1Cc1ccccc1 12550618 FHIFBRDJJJMDPX-AWEZNQCLSA-N 436.606 5.098 30 40 IKEB Cc1ccc(CSC2=Nc3ccccc3/C2=N/Nc2cccc(C(F)(F)F)c2)cc1 12954793 CBFZJKOQXPEEBZ-ANYBSYGZSA-N 425.479 6.807 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Br)cc1 13301908 PHAVBHNQANEVDS-JLHYYAGUSA-N 435.346 6.259 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(Sc3ncccc3[N+](=O)[O-])n2)cc1 13575406 QDTBECQJIOQNNH-UHFFFAOYSA-N 432.383 5.102 30 40 IKEB O=C1/C(=C/c2ccccc2Br)Oc2cc(OC/C=C/c3ccccc3)ccc21 13655548 BVTITMCTPLJMCT-VJWOQVONSA-N 433.301 6.158 30 40 IKEB CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc4c(c3)CCC4)o2)cc1 15565883 UWMDBPRMVGPJSZ-FOWTUZBSSA-N 449.572 5.362 30 40 IKEB CCCCCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC2=C1C(=O)CC(C)(C)C2 36532510 WOAMSVFCZIFFFK-DEOSSOPVSA-N 435.608 7.069 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)C#Cc4ccccc4)[C@@H]3CC[C@@H]2C1 118915126 AXNNSHMUJUSTKY-AUBLJOOZSA-N 434.620 5.744 30 40 IKEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](OC(=O)CCN3CCCCC3)CC[C@H]12 254402803 LDRSZLORBJFCJZ-CSBGOFLKSA-N 427.629 5.306 30 40 IKEB COc1ccc(-c2nc(/N=C/c3cccc(OC)c3O)sc2-c2ccc(OC)cc2)cc1 408722482 JKIGURPKWQKYGU-CVKSISIWSA-N 446.528 5.959 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)S2)cc1 408758815 RRKGQCCTSXFKGE-XKZIYDEJSA-N 447.516 5.926 30 40 IKEB O=C1/C(=C\c2cccc3ccccc23)S/C(=N\c2ccccc2)N1CCc1ccccc1 408911304 MVBAAUFVSJUPEL-UVUXTFCJSA-N 434.564 6.687 30 40 IKEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1C 408929490 KDDJABTXHJSLRQ-BLYKWHDGSA-N 441.767 5.758 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 408946046 XZFFVZAVOACMJF-PCBVGHRDSA-N 442.990 7.624 30 40 IKEB CCCOc1c(I)cc(/C=N/c2ccc(OC)cc2)cc1OCC 409211488 NXYJQAQJCUUVBP-FYJGNVAPSA-N 439.293 5.238 30 40 IKEB Cc1ccccc1NC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C#N)c1C 838419 CNTQUHIHDOVABS-UHFFFAOYSA-N 439.924 5.160 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1ccccc1 1429561 IHGYYADFBJAGFF-SFHVURJKSA-N 430.573 5.662 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 1458721 VJVHKTKWGJZVPO-BDYUSTAISA-N 431.535 6.396 30 40 IKEB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 1764019 GYFJFORLMLPDHU-NRFANRHFSA-N 443.981 5.481 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 1788742 HHFMRROVQOTGGR-UHFFFAOYSA-N 428.648 5.992 30 40 IKEB C=C(C)CSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@](C)(CC)C4 2361054 XLUXNILKVIAAIB-HXUWFJFHSA-N 434.656 5.751 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4c5c(cccc35)CC4)cc2)c([N+](=O)[O-])c1 3088008 PCLIVJRCMFJDCY-CVKSISIWSA-N 439.427 6.298 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2sc(CC)cc2c1=O 3526072 ONMQPSWEPLGENZ-UHFFFAOYSA-N 427.595 5.061 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1nnc(-c2ccccc2)o1 6474363 LOFPBEUCAOSEMV-UHFFFAOYSA-N 446.535 6.630 30 40 IKEB COc1cccc(-c2csc(N3CCN(/C(S)=N/c4cccc(Cl)c4)CC3)n2)c1 8829093 BXJYYWCZOQPVNC-UHFFFAOYSA-N 445.013 5.212 30 40 IKEB aggregator O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 8854183 AZNOABHQADOCLH-DEDYPNTBSA-N 438.266 5.557 30 40 IKEB Clc1cccc(Cl)c1CO/N=C/c1c(Sc2ccccc2)nc2sccn12 8855337 SRRQSANQMMQIGM-SSDVNMTOSA-N 434.373 6.405 30 40 IKEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3cccc(Cl)c3)nn21 9731826 RPFCIOZSOQYZED-OAQYLSRUSA-N 434.927 5.265 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC)cc2)cc1 12194202 TXIIIWIVKKBGTQ-XNMGPUDCSA-N 426.516 5.892 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 14133425 ININXJIKJGMFQK-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)cc3)nc2c1 17096456 HEVHLVJXJRYLGI-JOBSNELWSA-N 429.476 6.681 30 40 IKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(OCC)c2O)cc1OC 32114836 KTHYJTQXNLPGRI-YDZHTSKRSA-N 449.345 5.441 30 40 IKEB O=C(/C=C\c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(Cl)cc1Cl 33376771 IBWSRCOYZSVQDB-TWGQIWQCSA-N 427.205 7.048 30 40 IKEB Nc1ncccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 68568558 SPAMUCFBIITWIL-UHFFFAOYSA-N 428.604 5.128 30 40 IKEB biogenic CCCCCCCCC[N+]1(CCNC(=O)c2nc(Cl)ccc2Cl)CCCCC1 68576524 AGIASLZFFNJTSY-UHFFFAOYSA-O 429.456 5.870 30 40 IKEB CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1Br 68732082 KZFXJLHNDOQRRG-RUZDIDTESA-N 447.376 6.342 30 40 IKEB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)C1 101027972 XGSBHOXYBSQJHR-AFMDSPMNSA-N 448.588 5.293 30 40 IKEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 102860986 HJUJNWSQBWVYSQ-MOBKVPTQSA-N 440.524 5.539 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1C 408561369 IKQQUOPJDYEXCO-UHFFFAOYSA-N 428.561 5.247 30 40 IKEB C#CCn1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 408801028 RGURHEDPMWHNAX-QRQIAZFYSA-N 443.616 6.028 30 40 IKEB CCOc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1I 408905371 XYUVGURHEZIGMX-XQNSMLJCSA-N 442.300 5.862 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408909909 FLVPRERRBGDCAT-UINIZAEWSA-N 430.573 6.561 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(OCC)c(OCC)c2)S/C1=N/c1ccc(Cl)cc1 409080843 NZJRGDBOKJJFPJ-VLYZUMCXSA-N 444.984 6.151 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2cc(Cl)ccc2C)cc1 409213476 VYELVFLWVCYPCG-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 409213573 SFMZOZMRBNVJKC-AFUMVMLFSA-N 428.757 6.995 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 409215414 YKVSYITUGWYQIA-ZVHZXABRSA-N 439.309 5.226 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 409217105 RRWSTNNPTCXPRZ-ZMOGYAJESA-N 440.293 5.486 30 40 IKEB CCOc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)ccc1OC 409276815 WSOHFGRKWKUXEY-UHFFFAOYSA-N 439.471 5.099 30 40 IKEB CCCCCCCCCCn1c(=O)c(C(=O)Nc2ccccc2N)c(O)c2ccccc21 585158750 DZIDYJVKLIMYLD-UHFFFAOYSA-N 435.568 5.682 30 40 IKEB CCCCc1n[nH]c(=S)n1/N=C/c1cccc(OCc2ccc(Br)cc2)c1 1916330 KOVIPKXOWFVPQV-LPYMAVHISA-N 445.386 5.507 30 40 IKEB N#Cc1c(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc2c1CCCC2 3666067 BIUDHHGXKJUKGD-UVHMKAGCSA-N 441.383 7.135 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 8821135 SKCBIECXDBQYSA-NVNXTCNLSA-N 440.830 5.037 30 40 IKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]1CCc1ccoc1CN1CCCCCC1 9065183 NRXSHTMQYCWAJB-WPLJCJQWSA-N 441.656 6.540 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)c1ccccc1F 9159737 JHWMCDOEEBXIEY-JAIQZWGSSA-N 439.236 5.424 30 40 IKEB CCOc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1O 16688209 ZZKUTMCPZUBMEC-WSDLNYQXSA-N 429.270 5.149 30 40 IKEB O=C1C=C2C(=N[C@@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 61880543 WCSNDIBBXOJAOR-ADRXYBOHSA-N 442.562 6.597 30 40 IKEB C[C@@H](Nc1oc(-c2ccc(Br)o2)nc1C#N)c1cccc(C(F)(F)F)c1 72427665 XUNFIZUMKPJMPK-SECBINFHSA-N 426.192 5.761 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N/c1ccc(-c2ccccc2)cc1 100454442 MXNZTPXOSIYLBG-WSDLNYQXSA-N 431.127 6.335 30 40 IKEB C(=N\c1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1)\c1ccccc1 104307208 NFKDYJICOHIJDQ-NVMPUMLXSA-N 434.542 8.473 30 40 IKEB Cc1cc(C)c(COc2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)cc2)c(C)c1 408989543 LDKCSGUPTUIHMR-IWIPYMOSSA-N 428.557 6.082 30 40 IKEB CCCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(C)cc2C)NC1=O 409007296 NPPFGTWMJTWSER-LFVJCYFKSA-N 430.573 6.527 30 40 IKEB Clc1ccc(Sc2ccc(/C=N\c3cccc(I)c3)cc2)cc1 409108654 YAFJETLNXAPHTM-XKZIYDEJSA-N 449.744 6.846 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OCC)c1OCc1ccccc1 409235484 BMHAUJIXZAJARW-CJLVFECKSA-N 437.561 5.839 30 40 IKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1O 815821 ZUFFGJVOIPXCQQ-WINIVTDRSA-N 426.516 5.689 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S/C1=N\c1ccccc1 8400395 JNZDVOKXDPDMSP-CMXCFCNKSA-N 436.558 5.681 30 40 IKEB CS[C@@H]1CCCC[C@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 8443525 QIDCGABYEHXGCU-RSXGOPAZSA-N 446.641 6.416 30 40 IKEB Cc1cccc(NC(=S)N/N=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c1C 9262062 FWTFBSYEDMQBGB-BRJLIKDPSA-N 428.964 5.824 30 40 IKEB CC[C@H]1CS/C(=N\c2ccccc2)N1C(=O)c1ccccc1OCc1ccccc1C 13146092 IIGXAWNSQXYINQ-RIACQAHJSA-N 430.573 6.229 30 40 IKEB N#Cc1cc(Sc2ccccc2C(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])cc1C#N 14945029 BLOOMOQJVKYXKX-UHFFFAOYSA-N 434.864 5.395 30 40 IKEB O=C1/C(=C2\S/C(=N\c3ccc(Cl)cc3)N=C2O)c2ccccc2N1Cc1ccccc1 15015709 BTMOZMHKLNRTCM-MRCUWXFGSA-N 445.931 5.989 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197554 MQOONJYZPNMPEZ-LMKMVOKYSA-N 447.556 5.732 30 40 IKEB Cc1ccc(C(=O)/N=C2/C=C(C(C)(C)C)C(=O)[C@@](Cl)(C(C)(C)C)C2(Cl)Cl)cc1 26787265 UPSFFMXTMBQMQY-YQUKCCFRSA-N 442.814 6.329 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S 59167674 FUSBUHHALLARAV-WQRHYEAKSA-N 436.385 5.960 30 40 IKEB O=C(Oc1ccc2ccccc2c1/C=N/c1ccccc1)c1sc2ccccc2c1Cl 100392203 XTPJMUMUSKFADC-LQKURTRISA-N 441.939 7.678 30 40 IKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCCCCC 104136876 XUXHXFXVUACXPI-FOCLMDBBSA-N 436.765 10.098 30 40 IKEB C[C@H](O[C@H]1OCCN[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 142893182 AFBDSAJOMZYQAI-UZCIPKQKSA-N 437.355 5.628 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCCC2)CC1 257255634 KIHDGXLYKJTUCI-UHFFFAOYSA-N 436.621 5.059 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 408914754 WCTJTNONQJGMMP-BUWHHMLQSA-N 440.612 7.410 30 40 IKEB CCOCCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)S/C1=N/c1ccccc1 408928799 JZSHCGKJXNQNNL-YUBLGUFESA-N 446.576 5.130 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OC)c3)S2)cc1 408955460 XIEDBHVBUVLZCN-LDADJPATSA-N 432.929 5.038 30 40 IKEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1F 409210940 HOTVDJDKPASADU-MYVOUCEISA-N 442.556 5.502 30 40 IKEB COc1ccccc1C/N=C1/NCCCCCCOc2ccccc2Oc2ncccc21 643568830 HZKUFYPKHKWLES-UHFFFAOYSA-N 431.536 5.372 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1OC 1097761 ONWRRUVUXMKAKW-GKVSMKOHSA-N 432.545 5.745 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C 2055452 AHEKUNMMNLALIW-XMMPIXPASA-N 439.596 5.811 30 40 IKEB Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c(Cl)c1 2166300 VXBTWDQTPZPEPN-MZJWZYIUSA-N 433.294 7.812 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2379997 MBPHMDLVKJPQNR-UHFFFAOYSA-N 443.595 5.980 30 40 IKEB Cc1ccccc1-n1nc(C)c2c1NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc2c(c1)OCO2 3257804 ISIRFAZESBKVDP-DEOSSOPVSA-N 447.494 5.383 30 40 IKEB CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 4622692 JDOMHHJGEARESD-VWLOTQADSA-N 425.576 6.282 30 40 IKEB Oc1ccc(/N=N/c2cccc(Cl)c2)cc1/C=N/c1ccc(Nc2ccccc2)cc1 6473759 URAKLIAEISKPMM-TUBCOXNZSA-N 426.907 7.955 30 40 IKEB CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1 8443849 ZQSRUMGIKOTNIK-AREMUKBSSA-N 432.564 6.028 30 40 IKEB Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1C 8741899 ZRCJIXRZXOCBDR-VQAHOFKPSA-N 429.545 5.468 30 40 IKEB CC[C@H](C)c1ccc(OCCCOc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 8874992 ZEOQAZHMZKHYCM-RUTRRBQKSA-N 447.535 6.402 30 40 IKEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2cc(Cl)cc(Cl)c2)c1C#N 9390673 ACENVVRWTAILNE-UHFFFAOYSA-N 445.327 5.807 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccc(OC)cc1 9500127 GCLOHTQTTGDKKA-QGZVFWFLSA-N 436.581 5.384 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1OCc1c(Cl)cccc1Cl 9763462 NBRIYIPLSNSCLJ-BRJLIKDPSA-N 445.302 5.725 30 40 IKEB N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21 12468331 SJSRCOOPRRWHBH-NDENLUEZSA-N 431.289 5.392 30 40 IKEB O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)-c1ccccc1C2 12539943 MIGABVYRIIRCFF-NTCAYCPXSA-N 449.937 7.060 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1F 16741222 GKWWIEPEERDZRD-XMMPIXPASA-N 444.506 5.431 30 40 IKEB C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1ccoc1C 32946271 KFXLDPURZGAPTH-OAHLLOKOSA-N 440.594 5.042 30 40 IKEB O=C(/C=C/Nc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 100401629 UDFZBKMPPRVBTD-VAWYXSNFSA-N 432.734 7.034 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/SC(Nc3cccc(C)c3C)=NC2=O)cc1 100921194 ONSUEHPOAPMAFD-HKOYGPOVSA-N 436.621 7.125 30 40 IKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 103792399 VKSDRAQNEXCQDF-UTXMNRISSA-N 425.488 7.116 30 40 IKEB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118917364 BHUDKWOFZIXCDR-FXDGOSLSSA-N 426.597 5.101 30 40 IKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 408560672 NDIJKQFITVBGAH-UHFFFAOYSA-N 441.428 6.015 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1 408594554 UADAXCZVAMENNK-WYMPLXKRSA-N 431.275 6.031 30 40 IKEB O=[N+]([O-])c1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408732245 PWIAAWAMUFQSEO-MWAVMZGNSA-N 443.506 7.470 30 40 IKEB Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1ccc(N(C)C)cc1 408740741 MAODKTHCZBAICC-OEAKJJBVSA-N 443.332 5.515 30 40 IKEB N#Cc1c(/N=C/c2ccc(OCc3ccccc3)cc2)oc(-c2ccco2)c1-c1ccco1 408975579 NKOIZABBVMHUSL-STBIYBPSSA-N 434.451 7.001 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCc1cccc(F)c1 409080583 LTQZHXKOTGFAEF-HAHDFKILSA-N 443.474 5.486 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1Cl 409215843 BPXZKPNJLOAZDB-KBKYJPHKSA-N 448.733 6.983 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)cc1OC 409388349 UGEAETBIZSVDJI-ZXSUQFSISA-N 444.358 7.722 30 40 IKEB CC(C)Cc1ccc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 585294051 DITPBXTWNOTEAK-OAQYLSRUSA-N 437.638 6.141 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccco4)o3)c2C#N)C1 2396213 WELYEHZSADMFIF-GFCCVEGCSA-N 442.566 5.145 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C 3094386 RHGHZHMOYQBWSC-HSZRJFAPSA-N 425.569 5.421 30 40 IKEB Cc1ccc([C@@]2(C(F)(F)F)N=C(O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 3203559 XZHGCWUCZQEFOW-BFDKZUKCSA-N 441.478 6.565 30 40 IKEB C=CCn1c(SCc2ccc(F)cc2Cl)nc2sc3c(c2c1=O)CCCCC3 3336594 TWGPDZIPMMPVFB-UHFFFAOYSA-N 434.989 5.998 30 40 IKEB CCCCCCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2 8453955 RQLUERFWWDWQHM-UHFFFAOYSA-N 443.635 7.788 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 8935002 XAILHJSBALYCLU-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB Clc1ccc(Cl)c(OCCn2cccc2/C=N/Nc2nc3ccccc3s2)c1 13749933 XSTIGKACDKVNFP-YDZHTSKRSA-N 431.348 5.930 30 40 IKEB CCCCCCC/N=C(\CC)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 18033609 SAVMAVGCQZBMKQ-AFUMVMLFSA-N 438.519 5.964 30 40 IKEB N#C[C@@H](N)c1ccc(OCCCCCCCCCCOc2ccc([C@@H](N)C#N)cc2)cc1 31870864 HAUCJFOUGDOZIP-WMPKNSHKSA-N 434.584 5.312 30 40 IKEB Cc1ccc(-n2c(N/N=C\c3ccc(Cl)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 33626414 XDMNSWDLCWHEDU-WGARJPEWSA-N 448.979 5.734 30 40 IKEB COc1ccc(-c2c(-c3ccccc3)oc(/N=C/c3cc([N+](=O)[O-])ccc3C)c2C#N)cc1 59433141 WDJDPJCHKJVNEA-LQKURTRISA-N 437.455 6.461 30 40 IKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 408779644 GVURYOQVRNOYFM-WPWMEQJKSA-N 444.376 7.351 30 40 IKEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccc(Cl)c(Cl)c3)o2)cc1C 408791021 VEEIOXFWKKQKLA-OPEKNORGSA-N 444.318 5.209 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1OCC 408909536 DLDJPISHDYPRIO-JLOZXLPYSA-N 438.593 6.195 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)S/C1=N\c1ccc(C)cc1 408911477 ZNMCUMSXJXRKML-DOGKOTLKSA-N 446.547 6.337 30 40 IKEB O=C1/C(=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)Sc2ccccc21 408989599 IQNJZYVVEWARDW-YVLHZVERSA-N 438.511 6.278 30 40 IKEB Cc1cc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1cccc(Cl)c1 409063482 LQGCLODNMHQCQH-ZRGSRPPYSA-N 436.968 5.280 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409109410 DGFHMWCFJJLXQU-UHFFFAOYSA-N 446.547 6.530 30 40 IKEB C#CCOc1c(I)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409212527 QVCCXMQPMRAMCX-SRZZPIQSSA-N 439.680 5.024 30 40 IKEB CC[C@@H](C)Oc1cccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c1 409278026 CQVAGTKGVNKIKR-OAHLLOKOSA-N 442.357 5.342 30 40 IKEB CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OC(C)C 795935 ZFOFAAIUTXMQGR-UHFFFAOYSA-N 429.944 5.227 30 40 IKEB CCOC(=O)c1c(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)sc(C)c1C 906821 NCZVCEONBDESEA-UHFFFAOYSA-N 439.562 5.001 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1O 1048216 UVEOMKIPWQWVJG-UHFFFAOYSA-N 435.347 6.099 30 40 IKEB COc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O 2127513 RTEUYVDLVWAUKU-VHQYDUIRSA-N 426.468 5.598 30 40 IKEB biogenic CCCCCCCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 2138379 GZOLCLJYUZVNFN-HPXJJZNJSA-N 446.635 6.371 30 40 IKEB biogenic Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 2173443 AJVBCOIYFUEUHF-JMIUGGIZSA-N 443.906 5.917 30 40 IKEB N#CCCN(C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccccc1 3260052 QZYNACZQQJFXQS-UHFFFAOYSA-N 447.541 5.128 30 40 IKEB CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 3368415 RUNRVLMLPOJYQN-UHFFFAOYSA-N 443.565 5.978 30 40 IKEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2n1 8745375 BNADBLXYEKLGNT-UHFFFAOYSA-N 432.332 5.289 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCC(=O)Nc1nccs1 8843599 DZCGMWFLAMGITB-UHFFFAOYSA-N 440.497 5.278 30 40 IKEB O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1 12629313 WMXBFICETBXZPQ-WNMDNWPKSA-N 443.572 5.280 30 40 IKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3nc(-c4ccc5ccccc5c4)oc3c1)OCO2 15133610 FJAYYOBNIXPJNY-LGJNPRDNSA-N 437.411 6.036 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)cc1 16687802 TXDWURXABAFTBA-AFUMVMLFSA-N 438.867 5.472 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 18254417 USRVMCCQMYGPRS-SANMLTNESA-N 430.592 6.537 30 40 IKEB CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1 59193561 HTIMWHRFNYZGOW-UHFFFAOYSA-N 444.527 5.792 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650557 ADBHVOUOPKXOLE-RSTPCFTMSA-N 429.973 5.362 30 40 IKEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102603606 XJTAWWFWKDJFSK-HOGKFDNTSA-N 433.891 5.283 30 40 IKEB CCCCCCCC/N=C(\NCCCCCCCC)SCc1cccc2ccccc12 104388842 OIFBUAHBBIAGPI-UHFFFAOYSA-N 440.741 8.740 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 104599188 UIHAVGJLMIFGKQ-NNKNXWDPSA-N 448.950 5.232 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc(OC)c1OC 106720700 POSWCAZCGXMJBZ-HAHDFKILSA-N 445.540 5.822 30 40 IKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 225780321 NIHMCQMFDHOJRD-UHFFFAOYSA-N 447.362 5.731 30 40 IKEB Cc1cccc(Cn2cc(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)c3ccccc32)c1 408998903 QTNHDNLCZXTECD-MYYYXRDXSA-N 437.568 6.198 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1cccc(Cl)c1 409109504 GHYFDTIBDBRYQP-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O 409126481 OMRBETPGDXCJJT-WQRHYEAKSA-N 443.366 5.143 30 40 IKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c12 409136977 SSAWXKWEYSSHLA-SFHVURJKSA-N 440.543 5.067 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(OCc4ccc(F)cc4)c3)c2C#N)C1 409212798 QZNFCRPSUNMTER-YEPJEUQFSA-N 446.591 7.239 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 409231285 JQOGDUNQBVSAME-NFVLHAOASA-N 436.468 5.149 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(OCC)c1OCC 409346408 KIWHRZHCCCQDDK-RCCKNPSSSA-N 439.602 5.927 30 40 IKEB Cc1c(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cccc1C(=O)O 409384371 BTFDKORYBMVLEK-BRJLIKDPSA-N 436.533 5.490 30 40 IKEB Cc1ccnc(-n2c(C)cc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1 409404676 LQNCPJLZHXLKTJ-UHFFFAOYSA-N 433.515 5.057 30 40 IKEB O=C(Cn1cc(/C=C2\Sc3ccccc3C2=O)c2ccccc21)Nc1ccc(F)cc1 1105320 NHFOAOTXEVMVEZ-QRVIBDJDSA-N 428.488 5.749 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(-c2ccccc2)cc1 2255637 DWOIAUIMPXLSLC-PMERELPUSA-N 429.563 7.816 30 40 IKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O 3184437 NBGSGMCLUFXGEI-SSDVNMTOSA-N 438.237 5.622 30 40 IKEB C=CCOc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1 3446324 IHDXJCBMZIXGCY-UHFFFAOYSA-N 434.442 5.190 30 40 IKEB Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)c1 4105621 FSSNWONTRIYKEH-NPGCFZLRSA-N 447.560 6.313 30 40 IKEB CC(=N\N(Cc1ccccc1)c1ccccc1)/C(C)=N/N(Cc1ccccc1)c1ccccc1 5004068 SOLCRAFWRRSRRT-YESHOFFLSA-N 446.598 7.152 30 40 IKEB CCOc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 6600638 KXOZIUMJJVDNJE-WGOQTCKBSA-N 429.545 6.234 30 40 IKEB CCCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc1 8440797 CYYVWSFVWZGQGP-OAQYLSRUSA-N 437.517 5.299 30 40 IKEB CCOc1ccc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 8659733 KNLCQTIEBLYWRY-WFFFFOTMSA-N 445.588 6.503 30 40 IKEB O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 8826726 DZJPWZNHDUOBSF-SOMGSRHFSA-N 425.340 6.802 30 40 IKEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 8991012 CRDSAOQBPKAMPV-DHRITJCHSA-N 439.467 5.160 30 40 IKEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 12416393 SQHYDVPMWNWVHI-NSYGIPOTSA-N 441.556 5.143 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccccc1 13286190 LBIKVCOQQOZPGS-YJOHERITSA-N 444.025 6.504 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(I)cc1)Sc1ccccc1N2 14671923 WFVHRLNFESBVIK-LJQANCHMSA-N 433.314 5.557 30 40 IKEB Cc1cccc(NC(=O)[C@]2(C#N)[C@H](c3ccccc3)[C@@]2(C)C(=O)c2ccc(Cl)cc2)c1 14944514 IPHQYXBFPOIGLR-RZFJZAQRSA-N 428.919 5.784 30 40 IKEB CCn1c(/N=C/c2ccc(C)cc2O)nc2cc(Br)c(Br)cc21 16162788 POLIJOPXLYOJFM-AWQFTUOYSA-N 437.135 5.346 30 40 IKEB S=C1N(c2ccccc2)C(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 17154889 GXEVEEXXLMAMHC-HIXBMYMESA-N 432.552 6.759 30 40 IKEB O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(C2CCCCC2)cc1 25424690 QJJLAWDQDJZGRS-QGOAFFKASA-N 443.974 7.536 30 40 IKEB C(=N\N1CN(/N=C/c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1)\c1ccccc1 31960680 UCGXOCDSFKLAHV-HQPCTCNJSA-N 430.555 6.112 30 40 IKEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1cccc(Br)c1 35647514 HMYBBNURYPQFFN-NTEUORMPSA-N 438.144 5.103 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/SC(Nc3cccc(Cl)c3)=NC2=O)cc1 100872715 UTUOAPGFLFOGNJ-CJLVFECKSA-N 443.012 7.162 30 40 IKEB CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CS1 195996050 KEUUHXDTZRYITO-UHFFFAOYSA-L 435.262 6.440 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 253501157 UOCUEIOMIAYZNI-JNNMJWCVSA-N 428.613 5.468 30 40 IKEB biogenic,in-vitro COc1c(O)ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1[N+](=O)[O-] 408720984 HQVDGJDUOVBQJF-LELCQQSUSA-N 447.472 5.118 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] 408861065 LZBKFSOBAJHIJF-CFZWDAKHSA-N 435.549 6.086 30 40 IKEB CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC 408899551 UWOVTEQJVWZMAD-UHFFFAOYSA-N 429.944 5.181 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 408909079 GJPFGKZJKRXBPW-DMYYLQPXSA-N 428.513 5.781 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1 408914669 VRYIHMFMKADWSF-OQNHBUHUSA-N 436.577 5.949 30 40 IKEB O=[N+]([O-])c1cccc(Cn2cc(/C=N\Nc3ccc(C(F)(F)F)cc3)c3ccccc32)c1 408942360 XLXNULPSDWQJCD-WKIKZPBSSA-N 438.409 6.063 30 40 IKEB CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 409200220 HBIPOENGUNIONY-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 409203558 YCNLBRRLFNGUBF-DIBXZPPDSA-N 443.524 6.306 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 409339708 KWUXIKPSCKEBPG-PDGQHHTCSA-N 446.391 5.415 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(C(F)(F)F)c1 1531256664 PWDDWWFVUAQZLX-BHGWPJFGSA-N 438.247 5.013 30 40 IKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC 815913 AVDNCSPUPQTZCG-MMTVBGGISA-N 440.543 5.992 30 40 IKEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1F 1065419 CAYPLBWXIOMWFB-GVAUOCQISA-N 437.449 5.249 30 40 IKEB CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1-c1ccccc1 2526331 MJGAUBDQHKZYTI-UHFFFAOYSA-N 433.121 5.262 30 40 IKEB CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 4075229 OMRFIMYKQSDBHP-LJQANCHMSA-N 442.346 5.303 30 40 IKEB O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 6409403 DIXNQUQGZAAUAN-MTDXEUNCSA-N 437.524 5.939 30 40 IKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 6473682 CTWRELATGGZUTG-ZHZULCJRSA-N 434.904 5.451 30 40 IKEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)C1=C(c1ccccc1)c1ccccc1 8384169 XELGUQRKORLHHK-UHFFFAOYSA-N 427.503 5.913 30 40 IKEB COC(=O)Nc1sc(N/N=C/c2ccc(Cl)cc2Cl)nc1-c1cccs1 8868765 VSYQXIYUMOWUTH-UFWORHAWSA-N 427.338 5.803 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 13634722 QZIRYQALYMIVQT-XMMPIXPASA-N 431.536 5.479 30 40 IKEB Cc1ccc(/N=C2\C(=S)N(c3ccc(C)cc3)C(=N)N2/N=C/c2ccc(Cl)cc2)cc1 15985813 QMQNOQWCKYAACP-LDBZKYBXSA-N 445.979 6.105 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)c(Cl)c1 16384301 FSGZUFKEDFYESU-UFFVCSGVSA-N 430.129 5.049 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1OC 28615378 DKCQYUSNMOSDKC-ZMPCKTLKSA-N 439.606 5.860 30 40 IKEB O=C(NCCCC[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 32594719 WDUYMQIMUDQAIO-ZKZPFDSASA-N 443.572 5.423 30 40 IKEB COc1cc(-c2nc3ccccn3c2/N=C/c2cc(Cl)cc(Cl)c2O)ccc1O 100067151 BMWHCJOXCXPZEN-BHGWPJFGSA-N 428.275 5.479 30 40 IKEB CCCCCCCCCCOC(=O)c1cccc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 102102974 ZHPZKCMNKIXXJZ-UHFFFAOYSA-N 443.500 6.544 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@]23O[C@H]13 123231023 HXKDHGZOPCTTAY-WHIDIKHZSA-N 444.700 7.171 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)S/C1=N/c1ccccc1 223472839 QEOGBPFVBWYANU-YUBLGUFESA-N 431.605 6.332 30 40 IKEB Cc1ccc(Cn2cc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc32)cc1 408569035 YGAYHKJOJDUGBT-ZMOGYAJESA-N 429.436 5.260 30 40 IKEB Cc1cc(/C=C2\Sc3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408858806 SSVWRVFRUMXSLR-UUYOSTAYSA-N 441.379 7.519 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 408912624 OFOGBKZVLDLATK-KWPJTZOTSA-N 434.605 6.721 30 40 IKEB C=CCc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(OCC)c1OCc1ccccc1 409089523 NYIRPGSPGIDSBR-WGOQTCKBSA-N 432.480 5.142 30 40 IKEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccccc1-c1ccccc1)CC2 409144142 IIAPXVCZLMPFDR-LKUDQCMESA-N 436.305 5.632 30 40 IKEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1ccc(Cl)cc1Cl 409149845 SEXROUJCBKUACS-RDJAHTEYSA-N 447.321 5.220 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1c(OCC(=O)Nc2ccccc2)ccc2ccccc12 409210499 KWXGXVKGFFPBCU-LQKURTRISA-N 428.919 6.570 30 40 IKEB CCc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 409214675 ZRBBSKSSJMHTKX-YDZHTSKRSA-N 425.828 6.262 30 40 IKEB CCOCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)SC1=Nc1ccccc1 409221243 NFKVJLNTWMCSTR-UECNKTLHSA-N 446.576 5.130 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(F)cc2)[C@H](CCCC)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875300 OBFUEFRNKPESNL-NTNMUZRVSA-N 444.518 6.425 30 40 IKEB CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O 3140591 CAEZPRRNWQHHBP-ZMOGYAJESA-N 437.293 6.112 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 6446972 KLHVXTQDXAFNIP-IBGZPJMESA-N 447.903 5.128 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(Br)cc2)cc(Br)c1OC 8399846 NZYOMTIPYJXZGK-VXLYETTFSA-N 428.124 5.065 30 40 IKEB C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC 9262682 WJTZZHGBNMLVGF-FSJBWODESA-N 431.355 5.585 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9307994 CAZJAXJYRUJWTK-UHFFFAOYSA-N 449.624 5.225 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)cc1 12374184 UGHXLPDKTRWCNA-QFEZKATASA-N 444.483 5.456 30 40 IKEB biogenic O=C1C=C2C(=N[C@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 13583079 WCSNDIBBXOJAOR-WQQNLHNWSA-N 442.562 6.597 30 40 IKEB Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1 15980428 UFWKFGZGDNADRV-XYOKQWHBSA-N 441.455 6.552 30 40 IKEB COc1cc(/C=N\Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 31854375 MTNMUFPQPPTRAG-WGARJPEWSA-N 449.963 6.497 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1cccc(C(=O)O)c1 35656559 ZMTWQXSLMWSJET-XHFTXJRRSA-N 438.549 5.449 30 40 IKEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC2CCCC2)N1 36611840 RFHRBOLSRLMGIF-SANMLTNESA-N 438.527 5.656 30 40 IKEB O=C(/C=C/c1ccccc1)c1ccc(-n2cc(-c3ccccc3)cc2-c2ccccc2)cc1 51330221 GOYDATJWHOBNAF-LTGZKZEYSA-N 425.531 7.707 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1OC 59475144 PJSHNPAKAXTGES-CVKSISIWSA-N 449.963 6.594 30 40 IKEB CCOC(=O)c1cc2c(cc1C)-c1ccccc1/C2=N/c1cccc2c1Cc1ccccc1-2 101148905 XUWOOBCIKPVOAK-YCNYHXFESA-N 429.519 6.892 30 40 IKEB CC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC(F)F)cc1 102961959 NSMRBIFQENEVOQ-QZEHPXEOSA-N 447.507 5.047 30 40 IKEB CCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530556 OLZXZQQEKJLLNV-CMDGGOBGSA-N 444.275 7.642 30 40 IKEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)c2ccccc12 225919417 UNHLKRABTMYKIY-UHFFFAOYSA-N 437.923 5.748 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1OC 408743355 SIACLDKTCSMDHT-OQLLNIDSSA-N 447.712 5.657 30 40 IKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1cc(Br)ccc1O 408749278 NAXILNFEEAMKKO-MKMNVTDBSA-N 444.137 5.353 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(C2CCCCC2)c1C 408793297 DNNPJVWPULZBBC-QHCPKHFHSA-N 430.548 5.352 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)S/C1=N/c1ccccc1 408928570 CPTRHSLMWZIACO-YFGQCYJXSA-N 440.565 5.123 30 40 IKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409089235 ZBIYMWZWNKGOPO-KXVDBBMMSA-N 446.572 6.788 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc([N+](=O)[O-])c1 409109141 YJGVWXRGDXDZQJ-BHGWPJFGSA-N 447.373 5.375 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccc(C)c(C)c4)NC3=O)cc2)cc1 409243016 UKFLNKOUASNLFJ-HAHDFKILSA-N 430.598 6.655 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2cccc(C)c2C)S/C1=N/c1ccc(OC)cc1 409245597 WIFOGZFOSKMDET-XZKXACHFSA-N 431.561 5.727 30 40 IKEB COc1ccccc1C=Nn1c(-c2cc(C(C)C)c(OC)cc2C)nc2ccccc2c1=O 409299991 WMWNQXNYNIQGCQ-UHFFFAOYSA-N 441.531 5.395 30 40 IKEB CCOc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 1885030 SCPWHNVFIRWVJK-BRJLIKDPSA-N 427.287 6.657 30 40 IKEB COc1ccc([C@@H](C#N)CC(=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1OC 2034261 BGLSEDCONJOXMS-OAQYLSRUSA-N 431.488 5.172 30 40 IKEB CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCCC3)cc1 2316740 LIHPXDCHBCHPTH-UHFFFAOYSA-N 427.595 5.194 30 40 IKEB N#Cc1ccc(Oc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)cc1 3284384 KZGKJOBQSVPIEE-UHFFFAOYSA-N 449.988 6.790 30 40 IKEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 3432866 YLQATRWYKPIGIG-UHFFFAOYSA-N 449.557 5.820 30 40 IKEB COc1ccc(OCc2nnc(SCc3ccccc3C#N)n2-c2ccccc2F)cc1 8728063 INXLMEHIVIGMTN-UHFFFAOYSA-N 446.507 5.158 30 40 IKEB C=C(C)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCCC5 9144461 XJYURXVELFBCFW-UHFFFAOYSA-N 443.601 6.101 30 40 IKEB COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1 9597844 UBSUMNIDYLNHGT-CQSZACIVSA-N 435.549 5.687 30 40 IKEB COc1ccc(-c2cc(-c3cccs3)nc3sc(-c4ccc(C#N)cc4)c(N)c23)cc1 12249688 WGSAXRKJUORQJV-UHFFFAOYSA-N 439.565 6.821 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3c(C)nn(CC(C)C)c3Cl)c12 12682936 VBXQUIUFBWOYQF-VAWYXSNFSA-N 435.959 5.494 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1-c1ccccc1 13306125 UZRPAGIHXDKHQS-SLJQUXCSSA-N 443.597 6.348 30 40 IKEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccc(Br)cc1)c1ccc3ccccc3c1O2 15022739 SVIAZIZVOOLBPP-SFHVURJKSA-N 443.304 5.319 30 40 IKEB CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 17094588 VAEBNLXOLHJRLA-INIZCTEOSA-N 425.623 5.460 30 40 IKEB C1=C(Nc2ccccc2)/C(=N\c2ccccc2)C=C(Nc2ccccc2)/C1=N\c1ccccc1 17156389 IDDYUZBZSSUAGK-XNTLNLDKSA-N 440.550 7.537 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@H]12 82051572 YQZIRLKEPCVJRH-WLWXDCRWSA-N 443.031 5.085 30 40 IKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(OC)cc2)c1O 100222720 FXCOGLKLMSYVFV-MZJWZYIUSA-N 431.410 6.361 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccc(OC)cc1 100285238 BABHRLCGRKQWSP-UHFFFAOYSA-N 433.677 7.452 30 40 IKEB CC1(C)[C@H](C=C(Br)Br)[C@H]1O[C@H](C#N)c1cnc2ccccc2c1 254405780 LAVBPVFCUCRKLJ-FRFSOERESA-N 436.147 5.472 30 40 IKEB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1C#N 408569990 KMWARNOYLDMLHY-JOCHJYFZSA-N 427.460 5.036 30 40 IKEB COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1OC 408772716 QRXXOIROCGUOMW-YUMHPJSZSA-N 434.561 5.325 30 40 IKEB C=CCn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c2ccccc21 408930164 STAYRQGFLXTSNT-LPYMAVHISA-N 445.544 5.119 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 408967722 XEOAAYWTCYOMPT-YDZHTSKRSA-N 445.494 5.859 30 40 IKEB COc1ccc2cc(Br)ccc2c1/C=N/c1c(C)nn(-c2ccccc2)c1C 408975066 JMUUOUCISOLYRY-AFUMVMLFSA-N 434.337 6.164 30 40 IKEB Ic1ccc(COc2ccc(/C=N\OCc3ccccc3)cc2)cc1 408992814 CFGOSKNTIUCUER-UCQKPKSFSA-N 443.284 5.421 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O 409201521 NZQHZBQLQGTWPM-UHFFFAOYSA-N 446.418 6.699 30 40 IKEB Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1Cl 409208750 BXFNVWRWZGQUNV-FOKLQQMPSA-N 446.246 6.661 30 40 IKEB CCCCc1ccc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 585294747 JADLJFPTRLNCAD-OAQYLSRUSA-N 437.638 6.285 30 40 IKEB CCc1sc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 792566 SVEYKRAGORJZDF-UHFFFAOYSA-N 429.538 5.619 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 2390594 JPFDVPFIKVBPKC-YZSQISJMSA-N 430.529 5.040 30 40 IKEB COc1ccc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c(C#N)cc2c1 6176797 KYAZLMNJSGRFOX-UHFFFAOYSA-N 425.513 5.572 30 40 IKEB CN1/C(=C\C=N\c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C(C)(C)c2ccccc21 6179467 CMHKVMMLGPQRCO-ICELFBEGSA-N 443.550 7.499 30 40 IKEB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)/C=C/C=C/c3ccccc3)c3ccccc32)c1 8927843 PSFVPAFHAATMEL-YUXPEDDTSA-N 437.539 5.267 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl 9370879 QHLYBKWHGDWSFG-OAQYLSRUSA-N 438.310 6.085 30 40 IKEB C=CCn1c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)nnc1-c1ccccc1 9952130 NGHSVYGPDVNHKI-MRXNPFEDSA-N 449.605 5.053 30 40 IKEB COc1cccc([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CCC3)c1OC 13567949 JYBPCIYOJXVHKV-HNNXBMFYSA-N 446.330 5.538 30 40 IKEB Cc1ccc(/N=C(\c2ccccc2)[C@H]2SC(=N)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 16291574 BJWFNANIWVLDLW-KVSQZIOXSA-N 447.607 7.414 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1C 18030870 KIKJYSRQNGNJJM-MDIFQPDJSA-N 434.517 5.409 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1cccc(Cl)c1 33928301 TXFSOHCSKBEXMR-QUOYTPRUSA-N 445.997 5.733 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 35238175 BKLPEKOJKKUVLX-FXZATJRASA-N 438.358 5.761 30 40 IKEB CCc1ccc(C(=O)C2=C(C(F)(F)F)Nc3ncnn3[C@@H]2c2cccc(Cl)c2)s1 36612231 MAMDDIANZMUKQA-OAHLLOKOSA-N 438.862 5.270 30 40 IKEB C=C[C@@H]1OC(C)(C)O[C@@H]1C(=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 38347081 YOYUDDUZWMEVTR-IZZNHLLZSA-N 428.528 5.270 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccc(Cl)cc3)cnn1[C@@H]2c1ccccc1 44858823 PBBYXVNTLFBFJX-JOCHJYFZSA-N 446.938 5.447 30 40 IKEB COc1c(Br)cc(/C=C2\Sc3ccccc3C2=O)cc1Br 59503503 DKYVSCSCABVLFP-ZSOIEALJSA-N 426.129 5.550 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N/c1ccc(OCC)cc1 97464926 QLLQUGNDJAOTRH-ROLOMRMFSA-N 435.343 5.455 30 40 IKEB Cc1ccc(/C=N/N=C2C(=C(\O)C(c3ccccc3)c3ccccc3)/C(=O)c3ccccc3/2)o1 100143397 NIUOLHPWJOKCPA-KQTMCOIRSA-N 446.506 6.252 30 40 IKEB COc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 100342996 IPUYFPMFIOIFJD-XAJMEMKASA-N 425.484 5.186 30 40 IKEB biogenic O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccc(Cl)cc1 102602119 WFFZWQJUYCGRDV-WOOAAIBNSA-N 428.271 5.208 30 40 IKEB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCC#N 106733043 QBUWQIAVGRKEDH-GRSHGNNSSA-N 446.887 5.017 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]12 253589463 FVWJYYTZTCVBKE-LIWUMPQWSA-N 442.728 6.997 30 40 IKEB endogenous,in-man C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl 408571970 QDLYPGAWPHLTNA-HXUWFJFHSA-N 444.944 5.212 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 408604171 TYQCZPDMIUXFOO-VCHYOVAHSA-N 433.291 6.284 30 40 IKEB Oc1ccc(Cl)cc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408731311 JRJXRRCYJDKLEV-AJBULDERSA-N 448.953 7.921 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(C)cc(C)c4)NC3=O)c2C)cc1 408766085 ZFXKBYOAFZQXAU-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB Cc1ccc(-c2cnc(N)c(C#N)c2-c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 408815042 TVFKJEHLQSVWEY-UHFFFAOYSA-N 429.863 5.790 30 40 IKEB Cc1cccc(COc2ccc(/C=C3/S/C(=N\c4ccccc4)N(C(C)C)C3=O)cc2)c1 408907922 QHRMRBKMFZJYCW-FUQOYWQNSA-N 442.584 6.586 30 40 IKEB Cc1ccc(Sc2oc(/C=N/Nc3ccc4ccccc4n3)cc2Br)cc1 408915118 UXUTYFVDSUSRRA-YDZHTSKRSA-N 438.350 6.496 30 40 IKEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C(=O)N1CC 408930354 VZOCEQCHIDQGRU-SGFRRPFJSA-N 448.947 5.379 30 40 IKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 408974776 GYLQTXNULHUKCA-TURZUDJPSA-N 427.573 6.939 30 40 IKEB O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1ccc(N2CCCC2)c(F)c1 409064149 BXSALTKUTIQAJN-PDGQHHTCSA-N 446.345 5.080 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc(F)cc1 409200845 JNYJIUGQSQIIRN-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1OCC 409229664 SOTQYZJOVJSZQX-KZWMQRDFSA-N 448.947 5.900 30 40 IKEB CC(C)Cc1ccc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)s1 585293437 HLIXUZOTDUFMCA-UHFFFAOYSA-N 431.609 5.731 30 40 IKEB C=CCOc1cccc(/C=N/n2c([C@@H](C)CC)nc3ccc(Br)cc3c2=O)c1 1531342734 KPVNWEUJOVHCLF-BGHCKBSUSA-N 440.341 5.120 30 40 IKEB CC(=O)[C@@]12O[C@@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 4759030 AHBKIEXBQNRDNL-YNRKOCOGSA-N 448.603 5.744 30 40 IKEB biogenic,in-man Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)OC3CCCCC3)n2)cc1 6246032 NQPRLWIAXBBGSA-UHFFFAOYSA-N 442.584 6.564 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1O 6600352 PVTYCQAWDJVJCO-WYMPLXKRSA-N 433.420 5.272 30 40 IKEB COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 8888197 PVCQIYANENDXBU-KOYYFNRMSA-N 436.895 5.981 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 9477488 IDCWOTQNBMNRCN-JOCHJYFZSA-N 448.906 5.307 30 40 IKEB Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1 9561760 SWHFZJQQCZBHEJ-UHFFFAOYSA-O 437.588 6.309 30 40 IKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cs1)c1cccc(C)c1C 12804005 BPIGDRHWRNNCJS-CMDGGOBGSA-N 434.517 5.112 30 40 IKEB CC(C)(C)C1=C[C@]2(Oc3cc(C(C)(C)C)cc(C(C)(C)C)c3O2)C(C(C)(C)C)=C(O)C1=O 13510941 DCQDNCVZSDHESB-MUUNZHRXSA-N 440.624 7.163 30 40 IKEB Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nc(-c2ccccc2)ccc1C#N 16249554 YNJIVPNEPRSJEK-UHFFFAOYSA-N 431.904 6.170 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1Cl 16268169 AZQHCAVBKVTHQL-GOSISDBHSA-N 429.734 6.863 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N1C(=O)c2ccccc2C1=O 16492605 GDSXTGKWOSKJRX-UHFFFAOYSA-N 435.870 5.741 30 40 IKEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)O2 16737417 VJUIQCFHUDGWAP-IWIPYMOSSA-N 436.467 5.251 30 40 IKEB CC1=C/C(=N/Nc2ccccc2)[C@@H](C(O)(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 17002750 PCAIZXFSAQUOMS-CWYRIDLXSA-N 427.269 5.841 30 40 IKEB COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)c(OC)c1 19820326 XIGUEFQAYARWOA-UHFFFAOYSA-N 434.565 5.795 30 40 IKEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccc(C(C)(C)C)cc3)c2c1 35164837 OQHAFAPLAMIOPA-XMMPIXPASA-N 446.547 5.001 30 40 IKEB CCOc1c(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cccc1OC 101510682 NDDNXPBVFUQIJI-LQLRGMOSSA-N 444.556 5.898 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 108182755 KGDWKBPGNZQSHO-OQKWZONESA-N 438.499 5.231 30 40 IKEB C=CCOc1c(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cccc1OC 408536084 XZXPGTQHXPOAEV-RCCKNPSSSA-N 433.554 5.819 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 408818057 ZDXMIWBOEIPMFF-UQQQWYQISA-N 441.552 6.543 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1 408909551 DOFVBUXDRBULAN-YCJCGMCGSA-N 444.556 5.816 30 40 IKEB Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408981765 BORNJCRXFYVBBT-UYRXBGFRSA-N 438.310 6.225 30 40 IKEB Cc1ccc2c(c1)c(/C=N/CCNc1cccc3ccccc13)c(C)n2Cc1ccccc1 409035738 QDNCGGOSEPPVSV-AJBULDERSA-N 431.583 6.991 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OC)cc1 409214492 VLYIGJBCYJVGPZ-RGVLZGJSSA-N 427.136 5.760 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531383750 PEADCZMUSJXJIQ-AKBIMGJMSA-N 431.923 5.776 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 729593 PNGNWPJWZXHUKW-ZLOXQWCVSA-N 441.383 7.034 30 40 IKEB COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O 793481 MKWYUHYBWXUTCR-MHZLTWQESA-N 441.527 6.083 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1ccc(-c2ccccc2)cc1 2063820 OCINQIBDNMBAJJ-LJAQVGFWSA-N 430.551 7.211 30 40 IKEB CCCCCCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2365325 XQRSNPVPCHBJQS-UHFFFAOYSA-N 443.595 5.500 30 40 IKEB N#Cc1ccc(-c2ccc(OC(=O)CCCOc3ccc(Br)cc3)cc2)cc1 3359135 XFQKUQCCIZCJCK-UHFFFAOYSA-N 436.305 5.752 30 40 IKEB Clc1cccc(/C=N/Nc2nc(NCc3ccccc3)nc(Nc3ccccc3)n2)c1 8872927 XOTSPQNKROTQGN-WGOQTCKBSA-N 429.915 5.327 30 40 IKEB C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3c2C1 13133650 XNCFSDXCKWWEHX-VLIAUNLRSA-N 445.975 6.560 30 40 IKEB CCOc1ccccc1/C=C(/C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1 13682599 XWMNOIHRMLZFIL-CYVLTUHYSA-N 429.472 5.667 30 40 IKEB O=S(=O)(Cc1ccccc1)c1nnc(/N=C(\O)c2sc3ccccc3c2Cl)s1 17044524 RDWOTVRJFMFYDZ-UHFFFAOYSA-N 449.966 5.016 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 18250737 AKKBVQSJPCVNPB-SSOJOUAXSA-N 432.520 5.808 30 40 IKEB FC(F)(F)c1cnc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3)cc2)c(Cl)c1 22996428 VPGFVFWLYFQUCD-YPXUMCKCSA-N 441.236 6.750 30 40 IKEB C=C(CCC)C1=C(C)C=C2C/C(=C\c3cccc4ccccc34)C(=C)[C@@H]2[C@H]1c1ccccc1 54198337 HVURUKJRTJKPJS-VRZNSCJUSA-N 428.619 9.196 30 40 IKEB CCCCCCCCCCCCCCCC1=NN(c2ccccc2)C(=O)[C@@H]1NC(=O)O 104139688 PBQBQRNJJOCOKK-HSZRJFAPSA-N 429.605 6.507 30 40 IKEB CC(=O)O[C@@]12C[C@@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCCC(C)C)[C@@]3(C)C[C@H]1O2 118936345 WJIXKJVODIQPNM-GISDOUDXSA-N 444.700 7.376 30 40 IKEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 219961410 TVHFRKKGJYEAOI-UHFFFAOYSA-N 440.587 5.958 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 223484594 VCPNZXLBOPGKPA-GOESLVMASA-N 431.605 6.331 30 40 IKEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 260565804 VDEVGWINHZPMFQ-OAQYLSRUSA-N 448.588 5.176 30 40 IKEB CCOc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OCC 408728701 RPNFABQBWLFGPC-NDZAJKAJSA-N 436.511 7.033 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)N2C)cc1 408905607 BOVDWVRCFQKHPT-WNIMSWJZSA-N 448.975 6.461 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 408909787 DZZXOFFECFPLQQ-QMSJJHEMSA-N 445.500 5.726 30 40 IKEB Brc1cc(/C=N/c2ccc(N3CCOCC3)cc2)oc1Sc1ccccc1 408931536 MXHMQHYFXYCSJW-HZHRSRAPSA-N 443.366 5.781 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 408938076 KJHHZLQJRPBKFL-OGJHGMHNSA-N 444.578 7.734 30 40 IKEB COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1O 729455 GNKHAOYTTTZSRO-BSEYFRJRSA-N 448.544 5.450 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 752719 BKIANYNUNSXZJI-UHFFFAOYSA-N 426.607 5.220 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 1097817 PHBSIRLDUCKWOM-DEOSSOPVSA-N 426.516 5.292 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(Br)c1 1408515 VLQFDXJAHKJOII-UHFFFAOYSA-N 444.369 5.128 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2744932 FQVLSWDMJUPTCT-QIFMOKMOSA-N 440.612 7.346 30 40 IKEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1 2796778 QELPQVZNPVKPDI-OAQYLSRUSA-N 446.513 5.322 30 40 IKEB N#Cc1c(Sc2ccc(Cl)cc2)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1 3041120 BQTAVBOROCKGTL-UHFFFAOYSA-N 434.351 7.140 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)c2ccccc21 28182667 RIOAIJQUVPDBRR-WGARJPEWSA-N 425.484 5.865 30 40 IKEB Cc1cc(C)cc(-n2c(C)cc(/C=C3\S/C(=N\c4cccc(Cl)c4)NC3=O)c2C)c1 59427037 QALMIISZIMYIMG-UUYOSTAYSA-N 435.980 6.256 30 40 IKEB COC(=O)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 59475137 ZYKZSOFIFKACBS-CVKSISIWSA-N 447.947 6.363 30 40 IKEB CCN1CC[C@](O)(/C=C/c2ccc(Cl)cc2)[C@H](C(=O)/C=C\c2ccc(Cl)cc2)C1 78067318 PYGIJQFAQRQZHN-ZPWPZQHKSA-N 430.375 5.362 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H]1OC(O)=C(O)C1=O 100028650 NRHBEGWPKVFGRH-CVDCTZTESA-N 442.593 5.405 30 40 IKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3c4ccccc4cc4ccccc34)cc1)C2 100102512 HLCGSCISKSMPQX-KCSSXMTESA-N 426.563 7.881 30 40 IKEB O=C(/C=C1\Nc2ccc([N+](=O)[O-])cc2N\C1=C\C(=O)c1ccc(Cl)cc1)c1ccccc1 100400367 JLROVADVPPVTIW-VOKWCDJLSA-N 445.862 5.619 30 40 IKEB C=CCN(CC=C)C(=S)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408735528 QZPKDFLBOWLZCB-UHFFFAOYSA-N 437.568 6.302 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c(C)c1 408781094 RNIVNMNCFUMBES-UNOMPAQXSA-N 446.557 5.816 30 40 IKEB O=C(O)COc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 408852588 UPOKUPSKUFWBMB-FSJBWODESA-N 442.880 5.613 30 40 IKEB CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC 408899828 WBNGXRXUKYLBND-UHFFFAOYSA-N 443.971 5.571 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2 408912948 MHEAENAEUYQRJA-MXAYSNPKSA-N 429.372 6.937 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2ncccc2c1 408966896 OTUKCHYQFCPERF-UCQKPKSFSA-N 442.519 5.673 30 40 IKEB O=C1C(=Cc2cn(Cc3ccccc3)c3ccc(Br)cc23)C(=O)c2ccccc21 409122905 CTNWGIQACDFQAS-UHFFFAOYSA-N 442.312 5.915 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 409218228 ZKUAIAVZSJRBMA-JFLMPSFJSA-N 444.358 7.120 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O[C@H](C)CC 409313784 QWKZYLNGMOBMEV-OAHLLOKOSA-N 442.357 5.171 30 40 IKEB CCCCCCCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330326 HFJLIAOVXNTUMN-DQRAZIAOSA-N 426.598 10.172 30 40 IKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3c1ccc(OCc2ccccc2)cc1 718228 CYJCERZENOXEDI-MUUNZHRXSA-N 446.550 6.687 30 40 IKEB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 2232332 CFLWGKJVMIGWKM-UOODYVSWSA-N 435.936 5.505 30 40 IKEB CC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc23)C1=O 9019412 DDCGVESJPRQDSU-UIAIJNLVSA-N 430.577 5.150 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cn(Cc2ccccc2)c2ccccc12 9076593 RMLBGMFCDVYUDB-LJAQVGFWSA-N 447.582 6.912 30 40 IKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/Nc2ccc(I)cc2)o1 9262027 GCLGFKGKOWANBF-SRZZPIQSSA-N 446.244 5.004 30 40 IKEB Oc1ccc(Br)cc1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 9344405 KEICPTUDLMCUBO-NUGSKGIGSA-N 425.311 5.272 30 40 IKEB CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 9459740 IVLPLGXVTUYFOW-MNNSJKJDSA-N 438.571 6.479 30 40 IKEB COc1ccc([C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCCCC2)cc1 9596736 TXIYISFXXMHVHN-MHZLTWQESA-N 439.559 5.191 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)c2C#N)C1 9640024 NRLZCQKYUVMKKX-GFCCVEGCSA-N 435.599 6.335 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 12527441 XDDFFJMOICQQRS-MHWRWJLKSA-N 444.531 5.065 30 40 IKEB N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 12757243 RGKVPMLJMVKWKK-WOJBJXKFSA-N 435.618 5.491 30 40 IKEB N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3cc(Cl)c4c(c3)OCCCO4)cc2)cc1 13095566 ZFZPSQCXTFVHIE-NYYWCZLTSA-N 431.875 5.659 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1 15018359 UJJWFTAXTQKUBM-HXNPFYCNSA-N 428.557 6.326 30 40 IKEB O=C1/C(=N\N=C2c3ccccc3-c3ccccc32)c2ccccc2N1Cc1ccccc1Cl 15231367 OXYQGQVACAPRJP-QVTSOHHYSA-N 447.925 6.109 30 40 IKEB O=C(NC1CCCCC1)c1c(/N=C\c2ccc(O)c([N+](=O)[O-])c2)sc2c1CCCC2 16384292 IHUMSCKLTCZJIG-QRVIBDJDSA-N 427.526 5.054 30 40 IKEB Cc1ccc(/N=c2\scc(-c3ccccc3F)n2/N=C/c2ccc3c(c2)OCCO3)cc1 25424005 RHIFBNWBUCGKQG-NVZBVZIISA-N 445.519 5.550 30 40 IKEB CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 33960857 XLLVCEWUWMRFCJ-DBNSDCQUSA-N 443.635 6.570 30 40 IKEB CCCCCCCCCCCC(=O)Oc1ccc(/C=N/c2nc3ccccc3s2)cc1 68603674 NLWRIIMCTXAYLG-NHFJDJAPSA-N 436.621 7.873 30 40 IKEB COc1ccc(/C=N/CC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC 96448091 ODWKEQAUZHUXKA-RDDXSWEBSA-N 425.569 5.510 30 40 IKEB biogenic CCCCCCCCCCc1ccc(-c2ccc(SCCCCCCCC)cc2)nc1 98044745 ZJCVQXGDYXKXRB-UHFFFAOYSA-N 439.753 9.884 30 40 IKEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 102929073 AYBPWPNXBJNANW-NHFXJNLRSA-N 448.475 5.272 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 108228768 NCWNJGRDMBZRRH-CQSZACIVSA-N 447.391 5.554 30 40 IKEB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(OCC#N)cc2)C1=O 408809182 QXCVSJPRFOQMCM-XDQGBWCSSA-N 432.569 5.643 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc(Cl)cc2Cl)sc2c1CCCC2 408852364 SVULHVXKYCKELV-MXAYSNPKSA-N 429.372 6.937 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c(OC)c2)C(=O)N1C1CCCCC1 408911047 IRXMHPHPQMHRJJ-UINIZAEWSA-N 434.605 6.503 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1C 408911759 KOASUULNHWQDLN-YCJCGMCGSA-N 428.557 6.429 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 408929026 GMRASTBHMKDYTI-DRMKFXMXSA-N 440.540 5.064 30 40 IKEB COc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br 408964913 INLRWVCFRSLQNC-OQLLNIDSSA-N 437.746 5.311 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 409069691 XCOJUEJFMQHWFH-XDHOZWIPSA-N 429.925 5.458 30 40 IKEB CC(C)(C)c1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(C(C)(C)C)c1O 409174309 ROULTDZZZARKRO-FYJGNVAPSA-N 448.588 6.095 30 40 IKEB Cc1ccc(NC(=O)CO/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 409378356 OPQFATIIFAEMGM-ZMFRSBBQSA-N 443.330 5.870 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)cc1Cl 1531347398 CBQSPMVLLVSAFI-LSHDLFTRSA-N 439.140 5.301 30 40 IKEB CCOC(=O)c1c(-c2cccs2)csc1/N=C/c1cc(Br)ccc1O 1251176 KSBHZMQYSVKZDU-AWQFTUOYSA-N 436.352 5.872 30 40 IKEB Cc1cc(Cl)ccc1Nc1sc(C(=O)c2cc3cc(Cl)ccc3o2)c(N)c1C#N 1568969 NQDRSEQLRQZOHD-UHFFFAOYSA-N 442.327 6.538 30 40 IKEB aggregator,in-vitro Cc1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3C)nc2c1 1885019 IATNGOIMCLGWNA-FOKLQQMPSA-N 432.392 5.384 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(F)cc2F)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 2257466 CAYPLBWXIOMWFB-UBFVSLLYSA-N 437.449 5.249 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@@H](C)CCC3 2298463 KRDBRXHSUNQNGH-KRWDZBQOSA-N 426.651 6.950 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(CC)s1 6197663 VEHPKAAVCHEUTI-FPTDNZKUSA-N 427.591 5.297 30 40 IKEB CCCCOc1ccc(C(=O)/C(=C/c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 8915601 SHQPBAVHNOIMNH-NKFKGCMQSA-N 427.500 6.439 30 40 IKEB Clc1cccc(Cl)c1CN/N=C/c1cccc(OCc2cccc3ccccc23)c1 9196172 CSYAJRYAJLVUSC-RWPZCVJISA-N 435.354 6.849 30 40 IKEB CCc1cc(S[C@H](C)c2nnc(-c3ccccc3)o2)n2c(nc3ccccc32)c1C#N 9468624 GISRTWMRYGBLRX-OAHLLOKOSA-N 425.517 5.825 30 40 IKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@H]1c1cccc(Cl)c1 9969650 PTPHRRPTKJFIMD-LJQANCHMSA-N 432.303 5.156 30 40 IKEB COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1CSCC(=O)O 13005012 ARMMUHBKBQDJQN-ZRDIBKRKSA-N 448.540 5.488 30 40 IKEB O=c1[nH]c2ccc(/N=C/c3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)cc2[nH]1 16401685 JVWRYFUYKNOVAJ-KIBLKLHPSA-N 430.266 5.632 30 40 IKEB CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)OCC)n2)cc1 16729017 DMRPJZVMZAPDDI-UHFFFAOYSA-N 438.471 5.473 30 40 IKEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1 19923288 UXAAWCXKDDZAEJ-HSZRJFAPSA-N 438.568 5.150 30 40 IKEB O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCC(c3ccccc3)CC2)C(=O)c2ccccc21 59490093 ZMPMDRGPGAVDSK-UHFFFAOYSA-N 438.483 5.441 30 40 IKEB N#CCCn1cc(-c2csc(C3(NC(=O)c4ccccc4)CCCC3)n2)c2ccccc21 72284612 SKLAAAIRSDVMMO-UHFFFAOYSA-N 440.572 5.878 30 40 IKEB N=C1S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)[C@@H]1c1nccs1 108087397 PRUIOZILTKEDFV-PLXYEHFVSA-N 442.565 6.293 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(I)c(C)c3)c2C)cc1C 408739911 GIRSFLSDTLRBTB-CFRMEGHHSA-N 442.344 6.375 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)c1 408771826 IINDJTJEVBGVND-NDENLUEZSA-N 446.488 5.291 30 40 IKEB C/N=C1\S/C(=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)N1C 408786217 HDVJHTZIXKEYMY-AQWOHROKSA-N 442.009 5.619 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 408864605 XHPVTLQLVTWJSR-VPQZLOJSSA-N 426.969 6.228 30 40 IKEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OCc1ccc(Cl)cc1Cl 408898470 LPRRZXXUTVFGQM-YSURURNPSA-N 447.278 5.330 30 40 IKEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(C(F)(F)F)c1 409285583 XQCXGPGIZZSBHR-UHFFFAOYSA-N 438.247 5.183 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3Br)c3ccccc32)o1 409389300 ASMYGNBEKAMLRW-MSXFZWOLSA-N 437.293 5.582 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2395971 JQDAUBHFDRHRGN-UHFFFAOYSA-N 435.959 5.510 30 40 IKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc([C@@H](C)CC)cc2)CC1=O 4910504 JFCBJJQXBQGVQF-UNMCSNQZSA-N 431.580 5.521 30 40 IKEB N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCCC2 8809609 XDJIPEQCEZPUCS-UHFFFAOYSA-N 448.975 5.988 30 40 IKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC 9164652 RSRDBWHPENNCIP-VWLOTQADSA-N 446.547 5.257 30 40 IKEB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSCc2cccc(C#N)c2)cc1 9882246 WCLXRLMXNYGZMR-VWLOTQADSA-N 441.556 5.178 30 40 IKEB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1Sc1ccccc1C#N 13098479 NAOXQFIYZFXWSS-UHFFFAOYSA-N 427.356 6.288 30 40 IKEB Cc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c2c(C)c(C)sc2n1 22168230 UYYYFIHBQCNOGK-AWEZNQCLSA-N 428.558 5.183 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\[C@@H](C)c1ccccc1 97636381 WHBAUJFADSQSAI-TZBOJRPKSA-N 439.606 5.509 30 40 IKEB O=C(Nc1cccnc1)/C(=N\Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1 100843902 MAQGGHLEDDUYAG-MIXAMLLLSA-N 446.816 5.043 30 40 IKEB CCCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 102568161 CMCMEIFNRCDGQU-UHFFFAOYSA-N 444.830 7.294 30 40 IKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 225767211 XJAKJDFIKTVODH-UHFFFAOYSA-N 431.363 6.494 30 40 IKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 408738272 JPGLMZYYSBPTME-WPWMEQJKSA-N 429.361 7.274 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 408742645 XKQJSYLEJREZHU-VULFUBBASA-N 447.516 5.745 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c(C)c1 408909769 DXLKBQVROUHLNO-YCJCGMCGSA-N 428.557 6.116 30 40 IKEB O=C(NCc1ccccc1)c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2 408928266 YWVZTLZIHFHSNB-VYYCAZPPSA-N 443.399 6.614 30 40 IKEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408941690 PJNPTOQCXIUJEC-GIDUJCDVSA-N 440.710 5.941 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)c1C 408960396 LJUQDYACENHSQA-LEIWJKCUSA-N 447.579 6.338 30 40 IKEB COc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(C(=O)O)cc1 408967443 RNBFVBZJWZXULJ-WYMPLXKRSA-N 440.839 5.285 30 40 IKEB CC[C@H](C)Sc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409037223 MEQODCIMWASLBW-WQBBPGTOSA-N 426.401 6.444 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(Cl)c1 409200606 IOXCWEYKDFMSDS-VULFUBBASA-N 430.331 6.730 30 40 IKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 409208488 BYLMCZKDOUBWFD-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC(C)C)c1 409334568 TXLPWFDQCZJABU-HNNXBMFYSA-N 442.357 5.342 30 40 IKEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 409369099 CEFWTRICEUTVLM-YBFXNURJSA-N 439.338 6.794 30 40 IKEB CC(C)(C)n1nc(-c2ccc(Cl)cc2)c(C#N)c1NC(=O)c1cccc(C(F)(F)F)c1 8762219 RVMWBEYISGSFPX-UHFFFAOYSA-N 446.860 6.101 30 40 IKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 9271671 UYZHUUDARHVZRK-FQEVSTJZSA-N 442.353 5.608 30 40 IKEB Cc1ccc(Sc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)cc1C 12749615 OZDWSTFPUUGINI-UHFFFAOYSA-N 432.593 5.753 30 40 IKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/c3nc4ccccn4c3-c3ccco3)o2)ccc1Cl 13108242 AYBYEPHXICIWIQ-ZMOGYAJESA-N 432.823 6.167 30 40 IKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1OC 13756863 ZENGVGADLOCHNE-RWPZCVJISA-N 432.911 5.804 30 40 IKEB Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 16158876 MUXYSOGHDRKONY-BQYQJAHWSA-N 441.396 7.052 30 40 IKEB COc1cc(Br)cc(/C=N/c2cc(-c3nc4ncccc4o3)ccc2C)c1O 16311756 FYQFMYWIBRGARG-BHGWPJFGSA-N 438.281 5.426 30 40 IKEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1C 16804837 KQZBNVXCBKXCQO-HSZRJFAPSA-N 446.478 5.101 30 40 IKEB CCCN1C(=O)/C(=C/c2cccc(OCC)c2O)S/C1=N/c1ccc(OCC)cc1 97464881 ZDCKDNINEZLETI-BRNMAAFJSA-N 426.538 5.204 30 40 IKEB CCCCCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCC)cc1 98001257 NMGSQLUURHDKBX-UHFFFAOYSA-N 430.677 7.636 30 40 IKEB biogenic O=C1[C@@H](c2ccccc2)S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N1C1CCCCC1 100975230 NGCSNBPUCYRYPK-KSHDEOPHSA-N 448.997 5.034 30 40 IKEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 102860765 AMFJTEDWTWCDRX-YDJIHCHBSA-N 446.553 5.601 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(SC(F)F)cc1 105758075 TYGMPHYMGNNLRQ-SZTNPAGBSA-N 447.532 5.148 30 40 IKEB Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1ccc(Cl)cc1 408737596 FLMQGHANVGYBIX-WSDLNYQXSA-N 434.708 6.103 30 40 IKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2ccc(I)cc2)c1C 408776595 WQSDCZDTOBEARR-UCQKPKSFSA-N 444.316 5.848 30 40 IKEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1Cl 408816218 SXYMOELZKGUUJP-MXAYSNPKSA-N 429.303 5.770 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S/C1=N\c1ccc(C)cc1 408915438 YKFSZEAYYDLEHO-QMSJJHEMSA-N 447.516 6.096 30 40 IKEB Clc1ccc(/N=C\c2cc(Br)c(I)o2)c(Cl)c1 408949534 BIIHTKLLRDETBC-BNCCVWRVSA-N 444.881 5.704 30 40 IKEB CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(CC)C1=O 409066952 IHGJQZONTFFCKY-XFKFKZEQSA-N 444.940 5.451 30 40 IKEB Cc1c(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccc(Cl)cc1 409071273 QGVJZDDCWZCKHM-VFLNYLIXSA-N 442.872 6.511 30 40 IKEB Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2 409081889 IGNQSSIYKLETOM-LQKURTRISA-N 447.604 5.809 30 40 IKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 409096555 KLYACAHTXUJZEJ-QPDIMOPTSA-N 445.825 5.899 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccccc1Cl 409109368 CHEFTWJNEWLSTE-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1Br 409213301 UCCBTSARRKDFEE-UFFVCSGVSA-N 445.582 6.713 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)cc2)cc1 409227583 QGTXQRHWVAPFBD-HAHDFKILSA-N 430.598 6.655 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(Br)cc3)c3ccccc32)o1 409394335 ZANASJFHQVWXDL-WYMPLXKRSA-N 437.293 5.582 30 40 IKEB Cc1ccc(Cl)cc1-c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)o1 409404475 LPMVVKXVUJWCGQ-UHFFFAOYSA-N 439.902 6.168 30 40 IKEB C=C(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@@H](C(C)C)O[C@H]1c1ccccc1OCC(=O)O 2037879244 IMHYRUKETVAXPV-MHOPESGUSA-N 428.956 6.266 30 40 IKEB Cc1ccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3-n3nnc4ccccc43)c(C)c2)cc1 1863597 LYFGHANZXFBDFU-UHFFFAOYSA-N 441.494 6.240 30 40 IKEB Cc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccc(Cl)cc1 2309931 LFFNLDFKINXSEI-RPPGKUMJSA-N 436.968 5.280 30 40 IKEB COc1ccc(OCC(=O)Nc2ccc(C(=O)/C=C/c3ccc(SC)cc3)cc2)cc1 8417735 WKYOUHBZULHIMX-FZSIALSZSA-N 433.529 5.331 30 40 IKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 8431763 OSOWLGLZNFHGQW-CKLBMXLLSA-N 432.387 5.211 30 40 IKEB COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 8934240 YIGFLYRWYSANKM-CYXNTTPDSA-N 449.485 5.119 30 40 IKEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 9124689 GIOTYPOMJYHBOR-XDHUDOTRSA-N 426.907 5.500 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2cccc3ccccc23)C1=O 9271884 SPTWKSVDAFDCRZ-MNWLEOAJSA-N 446.532 5.382 30 40 IKEB C=CCSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2cccc(Cl)c2)c1C#N 13027714 GXMHBOXTCJMIPF-UHFFFAOYSA-N 433.964 6.421 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccc(Cl)cc1 13805245 NLXOUIIMGJKIFX-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB Cc1ccc(Nc2nc(N/N=C/c3ccccc3O)nc(Nc3ccc(C)cc3)n2)cc1 13943551 CTRBSLYSQYAQOJ-MFKUBSTISA-N 425.496 5.127 30 40 IKEB CCOc1ccc(Nc2nc(C)c(C(=O)/C=C/c3ccc(Cl)cc3Cl)s2)cc1 16957590 QYXSTIHICCBGGU-VZUCSPMQSA-N 433.360 6.797 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1 18107295 WODPAPKCXDYOQJ-MYUZEXMDSA-N 444.531 6.354 30 40 IKEB COc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)c(OC)c1 22416359 OLSKBEQSQOQKLF-UHFFFAOYSA-N 429.501 5.585 30 40 IKEB O=C(C1=CN(c2cc(Cl)cc(Cl)c2)c2ccccc2S1(=O)=O)c1ccccc1 32984132 MAGGSCJJFXJWSB-UHFFFAOYSA-N 430.312 5.643 30 40 IKEB CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccccc4)cc3s2)cc1 59459189 ZJNXSDYHRYGJTH-CVKSISIWSA-N 445.613 6.901 30 40 IKEB O=[N+]([O-])c1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 59475135 QAINASOYXBBWNA-ZVHZXABRSA-N 434.908 6.485 30 40 IKEB COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O 100288587 RTFKJFICWLAVQA-ZEHKLFRWSA-N 442.584 6.785 30 40 IKEB CCCCCCCCCC[C@@H](C[N+](C)(C)C/C=C\c1ccccc1)[C@H](O)c1ccccc1 104333490 CREBIZUUDAOAQZ-SEKZXREWSA-N 436.704 7.657 30 40 IKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 208244603 KGHQUUXWCVIQHV-IQVKCXKUSA-N 440.012 6.296 30 40 IKEB O=C1CCCC2=C1C(c1ccc(-c3cc(Cl)ccc3Cl)o1)C1=C(CCCC1=O)O2 408600233 ALNYDSAYTQNEMQ-UHFFFAOYSA-N 429.299 6.381 30 40 IKEB CCOc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1Cl 408829230 OOTCUEYSIGZABU-YSMPRRRNSA-N 445.028 6.492 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OC 408858106 JRESHBBDWIAFKO-MAIMZUNFSA-N 436.577 5.887 30 40 IKEB C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OCC)c1OCc1ccc(C)cc1 408908901 DXYZTVPHPWDBFJ-UHFFFAOYSA-N 438.523 6.164 30 40 IKEB COc1ccc(-n2c(C)cc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 408914147 XICPZHHVUCSMDL-ZCTHSVRISA-N 438.615 7.321 30 40 IKEB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1 409110409 VWULZLPORBZAQG-UHFFFAOYSA-N 440.908 5.134 30 40 IKEB COC(=O)c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 409116323 JYZXBFRYNJMHMZ-QRVIBDJDSA-N 426.881 5.937 30 40 IKEB CC[C@H](C)Oc1cccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c1 409278025 CQVAGTKGVNKIKR-HNNXBMFYSA-N 442.357 5.342 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1C(F)(F)F 1531350860 BOXWBTIYCLWPFV-BHGWPJFGSA-N 438.247 5.013 30 40 IKEB COc1ccc(-c2c(C#N)c(N)n(Cc3ccc(F)cc3)c2-c2ccc(OC)cc2)cc1 1075269 ZTRPNADGQKSKRV-UHFFFAOYSA-N 427.479 5.481 30 40 IKEB Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(C)c1Cc1ccccc1 1505965 DBOQRURVMNWLTO-UHFFFAOYSA-N 440.524 5.242 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Br)c1OC(C)C 9197215 ZJCYOPIPQYANDF-LSFURLLWSA-N 446.172 5.675 30 40 IKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N[C@@H](C)c2ccccc2)cc1 9308084 VDOMZKUFTRTACE-NRFANRHFSA-N 430.555 6.740 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 9460972 RFFXIAHPHFYOJG-JOCHJYFZSA-N 430.504 5.372 30 40 IKEB N#CCCn1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc21 9867886 HQWQGEVGKBNZRB-CHHLAKQQSA-N 426.545 5.542 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@]3(C)CC[C@@H]21 10272336 SDYMIDMUFXWPCF-SANQDLMBSA-N 438.514 6.415 30 40 IKEB CCCC/N=C1\Sc2nc3cc4c(cc3cc2CN1Cc1ccc(OC)cc1)OCO4 13511155 XHSXYDQNMFBYDI-IZHYLOQSSA-N 435.549 5.236 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 13682183 XKUJLRBSDHYVJV-IWIPYMOSSA-N 448.540 5.676 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccc(Cl)cc4)NC3=O)o2)cc1 59137837 XSUMUNULFYOXAM-PDGQHHTCSA-N 426.950 6.284 30 40 IKEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 59193575 JIGVLFIRVMIFNB-UHFFFAOYSA-N 444.527 5.711 30 40 IKEB CCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccncc3)cc2)cc1 59663765 QKYMAMWWRUCVRA-UHFFFAOYSA-N 433.504 5.869 30 40 IKEB CCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CCC)cc2)cc1 68569043 CZBZGGDEZKZORW-GKPLWNPISA-N 435.696 9.470 30 40 IKEB O=C(c1ccccc1)c1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 101477640 ODDILOYPALKKQE-URGPHPNLSA-N 444.494 5.137 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1C(=O)O 104376649 LEFJLOCEHZNTCR-MEFGMAGPSA-N 447.689 6.664 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408538526 OGRMQGBXDWNXAR-MOHJPFBDSA-N 448.563 5.709 30 40 IKEB CCCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1CC 408637227 HVHDQKILHCHVIL-CQSZACIVSA-N 445.658 5.065 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)cc2)cc1 408784655 VSDWKQHLYPTJPX-WPWMEQJKSA-N 441.487 6.554 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)ccc1O 408911595 KGIUULBGKQWXSB-OQNHBUHUSA-N 436.577 6.036 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409208006 DRTOVWPJEPBGHU-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409209805 HGPXDGVINQJWIM-YDZHTSKRSA-N 425.828 6.262 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc(F)cc1 409213341 SMKUXEKTLBBURV-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB CC(C)n1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc21 409307628 UIMIMKFUOTUAFH-UHFFFAOYSA-N 446.510 6.228 30 40 IKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/N=C/c3ccccc3C(F)(F)F)CC[C@@H]12 1889205948 FHIHDASURXFVSB-DCUZKKRISA-N 444.585 7.913 30 40 IKEB CCc1ccc(C(=O)C2=C(C(F)(F)F)Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)s1 2806475 ALZDYDWECKTLBB-OAHLLOKOSA-N 438.862 5.270 30 40 IKEB CCOC(=O)CCCSc1nc(-c2ccc(OCC)cc2)cc(-c2ccccc2)c1C#N 6090114 KXAQZCVEKPBUAI-UHFFFAOYSA-N 446.572 6.121 30 40 IKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)OC(C)C)n2)cc1 6246022 YETZAFZJEYEBLF-UHFFFAOYSA-N 436.964 6.293 30 40 IKEB O=C1/C(=C/c2ccc(Br)s2)CCC/C1=C\c1ccc(Br)s1 8454815 TVEAESGOBIRZPF-GFULKKFKSA-N 444.213 6.555 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccs1 12652081 KJMSMMFOWBHWCR-XMMPIXPASA-N 428.557 6.205 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(O)c(OCC)c3)c12 12686949 UIVYHMNIJIOCNH-ZHACJKMWSA-N 435.911 5.437 30 40 IKEB N#CC1(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 13635577 GIMPXNKAJBQLLQ-DGWZTRNLSA-N 435.914 5.750 30 40 IKEB O=C(C/C(=C\C(=C1\Cc2ccccc2C1=O)c1ccccc1)c1ccccc1)c1ccccc1 16450682 MUCYMSYQFRLMSG-KFRNGIDRSA-N 440.542 7.236 30 40 IKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 16637014 AQPNTTKSTOAMDL-ZVBGSRNCSA-N 430.129 5.951 30 40 IKEB CCN(CC)c1ccc(/N=C2\C(c3ccccc3)=Nn3c2nc2ccc(Cl)cc23)c(C)c1 16678176 QVPACFWYTIIOIK-AZPGRJICSA-N 441.966 6.231 30 40 IKEB CCN(CC)C(=S)SC/C(=N/Nc1ccc(Br)cc1)c1ccccc1 18192322 UHACJDLKNKPOLL-PYCFMQQDSA-N 436.444 5.625 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 19643784 LYBMJVAFISFUSN-RXFWQSSRSA-N 445.559 5.256 30 40 IKEB C=CCN(CC=C)C(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 34759638 LSGCORLWINIVDP-UHFFFAOYSA-N 448.642 6.458 30 40 IKEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1F 106375956 MJYRZEFLTNDBTC-DICXZTSXSA-N 436.483 5.101 30 40 IKEB C=CCO/N=C(\CCC)[C@@H]1/C(=N\OCC)C[C@H](C[C@H](C)SCC)C/C1=N\OCC 257345403 MSKXSYDVWIKAML-GIRHHUTLSA-N 425.639 5.688 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(Cl)cc4)NC3=O)c2C)cc1C 408741146 ODLZYJDOGTYNDR-LPYMAVHISA-N 435.980 6.256 30 40 IKEB CCCCN1C(=O)/C(=C\c2cccc(OC)c2OCCC)S/C1=N\c1ccc(C)cc1 408913053 PHISIVIMYLDDJG-RZZGQMAMSA-N 438.593 6.197 30 40 IKEB C#CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1Br 409115877 LIAMMBYJXAYLBW-UHFFFAOYSA-N 443.566 5.798 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Cl)c1 409202096 OVSSVHGXRGFQOG-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)SC1=S 409378562 QFAGTQBHQFAPOS-ZDLGFXPLSA-N 427.620 5.127 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)oc(-c2ccco2)c1-c1ccco1 409381525 HOCAIGSPIMAPQE-VULFUBBASA-N 439.383 6.590 30 40 IKEB Cc1cc2nc(-c3ccc(SCC(=O)Nc4sc(C)c(C)c4C#N)nc3)[nH]c2cc1C 1329662 OGWGQNHCIZXLIP-UHFFFAOYSA-N 447.589 5.523 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12 2273402 NWSONGAQAWTJGO-SSEXGKCCSA-N 431.535 7.092 30 40 IKEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 6077314 LIRXJRWOKNJMBE-NPMXOYFQSA-N 447.585 5.205 30 40 IKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(Cl)cc4)NC3=O)cc2)cc1 8820761 FAUNSQFAFQOIQS-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccc(Cl)cc1Cl 8856936 HEDJFJCLBXRURC-HSZRJFAPSA-N 437.370 7.051 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1Sc1ccc(Cl)cc1 8857312 SNBVDABYPYIOAQ-UHFFFAOYSA-N 425.262 7.097 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccccc1Cl 9261315 ILSDVUZNYNMNMF-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB C/N=C1\Sc2nc3c(cc2CN1C1CCCCC1)c(C(C)(C)C)nn3-c1ccccc1 13566147 BHLZWBSISMQIQR-LCUIJRPUSA-N 433.625 5.944 30 40 IKEB CSc1ccc(/C=C/C(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1 13603161 VTSSFGUDRUVBNT-KPKJPENVSA-N 444.468 5.013 30 40 IKEB Cc1ccc(/C(CCCCCCCCCC/C(=N\O)c2ccc(C)cc2O)=N/O)c(O)c1 16291065 QPVDDKNWUHWKDG-LMCGJEQXSA-N 440.584 6.672 30 40 IKEB Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(C)cc3C)c3ccccc3C2=O)cc1 16739924 KNMWUNAGRZAPMY-XTCLZLMSSA-N 447.581 5.662 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cccc(Br)c1 19804932 NTAHEAFMDPYKQC-FPOVZHCZSA-N 434.333 5.491 30 40 IKEB Cc1cc(N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)nc2ccccc12 25422369 ROMFGRZZZULWGR-BUVRLJJBSA-N 433.606 6.165 30 40 IKEB O=C(Nc1ccc(Cl)cc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 98001582 KXIPHUDICGRBFF-QMMMGPOBSA-N 439.608 5.314 30 40 IKEB CCCCCCCOc1ccc(CNc2ccc(OCCCc3ccccc3)cc2)cc1 100036644 VVODEWHIBZDFEB-UHFFFAOYSA-N 431.620 7.660 30 40 IKEB CCOCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N/c1ccccc1 101936352 VFKLXYWMVBLTJV-AOUVVKEYSA-N 432.545 5.489 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCC2 103601851 BKKRLVHCZBNMPL-VULFUBBASA-N 426.488 6.231 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1C 108971386 OFEMHJDDCBVXDD-UHFFFAOYSA-N 428.355 5.177 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 253501159 UOCUEIOMIAYZNI-XQQAMPDISA-N 428.613 5.468 30 40 IKEB biogenic,in-vitro Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)c1C 408779023 OZPIKPITTOVCBQ-UUYOSTAYSA-N 446.532 5.511 30 40 IKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)c1 408908363 BXDVVNBDWJJRIG-OGLMXYFKSA-N 426.516 7.073 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2c(C)cccc2C)N(CC)C1=O 408909178 GQPHWNRHRHKPOJ-BVGVAWRYSA-N 430.573 6.479 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 408909556 VCLAHOCNOOMOLX-YCJCGMCGSA-N 428.557 6.116 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2cn(CC)c3ccccc23)C1=O 409127783 HOIAAGUQKZHDPP-STZFKDTASA-N 448.544 5.213 30 40 IKEB N#Cc1ccccc1COc1ccccc1C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 409160271 FNDQTIGHHOSKRC-QFIPXVFZSA-N 448.931 5.602 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1F 409199158 BQMVXKCKTFZXID-UVHMKAGCSA-N 432.322 7.169 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409209893 GTANRAULTYJUKF-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409215412 YIUONZKGUKGUIO-YDZHTSKRSA-N 441.827 6.098 30 40 IKEB CCOc1cccc(/C=C2\CC(O)(C(F)(F)F)C/C(=C\c3cccc(OCC)c3)C2=O)c1 584906946 UFKQLUWTDJQQIR-AYKLPDECSA-N 446.465 5.607 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(C(=O)O)ccc1OCCC 585263918 GCLUIGPXWOLUCE-CDNOPDGFSA-N 428.956 6.653 30 40 IKEB COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 828259 AIBNFGHSFKHUIF-UHFFFAOYSA-N 440.536 5.113 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 2092562 GDWOIBUCYZPXAM-ZEHKLFRWSA-N 440.568 6.677 30 40 IKEB COc1ccc(/N=C2/S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 2175076 VCUUGNMDCWTESF-GOESLVMASA-N 448.519 5.647 30 40 IKEB N#Cc1c(NC(=S)NC(=O)c2ccc(Br)cc2)sc2c1CCCCCC2 2316569 YYSLMVJUEUZWBL-UHFFFAOYSA-N 448.411 5.168 30 40 IKEB COc1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1Cl 3050068 SLJYSRMPFGEODL-WYMPLXKRSA-N 441.712 6.670 30 40 IKEB FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 3177507 NCRXMKZGGATECI-JTQLQIEISA-N 436.418 5.035 30 40 IKEB C=CCN(CC=C)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 3224223 PNFMOPVTLRUKQK-UHFFFAOYSA-N 443.576 5.017 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 4081750 MHAVMNJPXLZEIG-RPLJJSTGSA-N 438.696 7.412 30 40 IKEB biogenic CCCCCOc1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 8434834 RSPISSRYNJRGCJ-WEMUVCOSSA-N 447.578 8.292 30 40 IKEB Cc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2C#N)cc1 8448429 DUEWLYJHYHWKQM-UHFFFAOYSA-N 438.527 6.710 30 40 IKEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccccc1F)n1c(nc3ccccc31)N2 9546528 ASXJGZULURUIJB-LMKMVOKYSA-N 443.909 6.245 30 40 IKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\Nc2ccc(I)cc2)o1 12364013 GCLGFKGKOWANBF-NHDPSOOVSA-N 446.244 5.004 30 40 IKEB O=C(O/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1 12959556 WZCQWJGPPYAHDH-QQTULTPQSA-N 425.271 5.101 30 40 IKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 16729095 QULULZOGETZRPS-UHFFFAOYSA-N 444.453 6.635 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 22001387 JFXKDJXTNOKHGC-YSURURNPSA-N 444.691 6.241 30 40 IKEB CCCCCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 97998497 ISPJYBAGCGINTM-UHFFFAOYSA-N 434.515 5.812 30 40 IKEB O=C1/C(=N\c2cccc(Cl)c2)C[C@@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 100349609 JQHPQOGMXVPYEK-JDFKBJJRSA-N 429.734 6.898 30 40 IKEB C/C(=N\n1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)cc1)c1ccncc1 102924848 ZQCAXIHJKPXEGG-MQBPDJCZSA-N 439.371 6.423 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)S/C1=N\c1ccccc1 223570169 RRMWORPIGHMGPE-FKOVGQMLSA-N 433.621 6.341 30 40 IKEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224622196 DGVGFPCMYZFUMR-UHFFFAOYSA-N 436.744 5.045 30 40 IKEB CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc2ccccc2c1 408593803 RLMIMLPMHDDBTR-UXHLAJHPSA-N 436.511 6.240 30 40 IKEB C=CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N(c2ccccc2)C1=S 408731138 XVYVBFQWWRLBNH-XIEYBQDHSA-N 448.547 5.723 30 40 IKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408854751 CDLIZFKTIBGXAE-OPEKNORGSA-N 445.302 5.636 30 40 IKEB CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 408905518 BIUPAMMTHIHJTD-NYHUGOSPSA-N 442.584 6.839 30 40 IKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(Cc2ccccc2)C1=O 408911400 JGBBKTZYIROEDQ-AJGXWLHTSA-N 442.584 6.588 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c2C#N)C1 409085075 YHEUYEGJXXUGTC-KSXCTLEASA-N 432.549 6.220 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c2ccccc21 409117827 OJVNBLGGIMZNDQ-JAIQZWGSSA-N 449.337 6.351 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)S2)c(C)c1 409216733 KXZCYCNENUPYCO-XKZIYDEJSA-N 445.544 5.301 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1Cc1ccccc1 409292438 SZLYPVWESQRBTF-UHFFFAOYSA-N 438.575 5.793 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)nc(SCCN3CCCCC3)c2C#N)cc1 2051503 AALPUGBDOCHWJB-UHFFFAOYSA-N 429.589 5.874 30 40 IKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc3c(c2c1=O)CCCC3 2376197 CQTGEOOETMZJJH-UHFFFAOYSA-N 446.597 5.651 30 40 IKEB O=C(COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1 2430572 JFFMAWWLKFNPFR-ROTLSHHCSA-N 444.870 5.537 30 40 IKEB Cc1cccc(OCCCn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)c1 2594785 CIMQPJOLYZRDCV-WPWMEQJKSA-N 440.572 6.475 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 3059692 FHGVWDMNDIAYQP-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccc(O)cc1 4109139 RVSPVHVYWIMLIF-QDJRPKQISA-N 445.569 5.879 30 40 IKEB Clc1ccccc1CN/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 8811980 NPYLCAOHMASMBM-MUFRIFMGSA-N 435.354 6.849 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1OC 8820738 SZCAZTIRHJRZEX-PXNMLYILSA-N 442.846 5.268 30 40 IKEB COc1ccc(-c2oc(/N=C/N3CCCCCC3)c(C#N)c2-c2ccc(OC)cc2)cc1 8837247 GVCCWRKLYXYUHA-MTDXEUNCSA-N 429.520 6.038 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1OCc1cccc2ccccc12 9291115 INHHVNGCVJVUJQ-JVWAILMASA-N 426.472 5.572 30 40 IKEB O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 12261629 NMXGNMKXWUAPGX-INIZCTEOSA-N 449.322 5.040 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(Cl)ccc1OC 13286417 JBRJJQPSKPEIBD-MGXYOJEMSA-N 431.970 5.343 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1F 26458887 ZVGPQTYFCIDOCY-HSZRJFAPSA-N 449.478 5.329 30 40 IKEB CCOc1cc(/C=N/Nc2ccccc2)cc(Br)c1OCc1ccccc1 33957697 KMEHHLIPHFJABG-BUVRLJJBSA-N 425.326 5.873 30 40 IKEB Cc1ccc(C(=O)c2c(/C=C/c3ccc(N(C)C)cc3)oc3cc(C#N)c(C#N)cc23)cc1 66089264 XOKRZCINIOKPRL-MDWZMJQESA-N 431.495 5.952 30 40 IKEB FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H]1CO1 95681740 NSHDLZDDSBGOKN-VKHMYHEASA-N 426.119 5.149 30 40 IKEB CCCCCCCCCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 102818092 YPAQBKYKMFJKJN-UHFFFAOYSA-N 444.579 6.372 30 40 IKEB CC1(C)OB(/C(=C(/B2OC(C)(C)C(C)(C)O2)c2ccccc2)c2ccccc2)OC1(C)C 195789916 YFLBNMYBKXYNJN-QURGRASLSA-N 432.178 5.860 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408617689 BDOXUBFKACNDPC-JLHYYAGUSA-N 427.327 6.867 30 40 IKEB CCOC(=O)CN/N=C\c1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1 408729200 ALHDNIQHFFSYPZ-CEUNXORHSA-N 437.543 5.606 30 40 IKEB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2OCC#N)C1=O 408805499 KTPHKVGPVFQCBO-UXJZJMJTSA-N 432.569 5.643 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)S1 408861751 CWHAFTQTSPVXCJ-IWIPYMOSSA-N 444.556 5.783 30 40 IKEB CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408913384 TYKDGOTYCIATBA-WEOUEGTISA-N 426.585 6.657 30 40 IKEB N#Cc1c(N)nc2c(c1-c1cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc13)CCCC2 408980932 ULMRRQKZTITRHB-UHFFFAOYSA-N 447.369 6.391 30 40 IKEB C#CCOc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 409084601 WVWJPYMZDQTQQL-ZEHKLFRWSA-N 438.552 5.371 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)O 409216678 NUPUEKDOHZFZDM-ZVBGSRNCSA-N 426.694 5.024 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OCC 409349666 VWJXWPRYRRAFBL-RCCKNPSSSA-N 440.590 5.122 30 40 IKEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409376644 CCWPEOQQRXTEQD-AFUMVMLFSA-N 427.372 5.342 30 40 IKEB O=C(c1ccc(Cl)cc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242745 GTPOXZWRZNLHHK-UHFFFAOYSA-N 426.584 6.010 30 40 IKEB O=[N+]([O-])c1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 659954 YJAKOAMKUVHCJK-WPWMEQJKSA-N 440.503 5.185 30 40 IKEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3OC)ccc2C1=O 2104731 DYFAMJYCPFBQRT-ZHBGJKQSSA-N 428.440 5.095 30 40 IKEB biogenic C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([C@@H](C)CC)cc1 2446223 VUBZQBOKFPKKCD-SFHVURJKSA-N 436.581 5.287 30 40 IKEB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1ccc(Cl)cc1 3089277 CYFFTDVXRPMTAM-UHFFFAOYSA-N 429.719 5.890 30 40 IKEB O=C(Nc1sc(N/N=C\C=C\c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1 8869462 QCQHVTRWMGDZHH-SJARNATQSA-N 448.935 6.420 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3nc4ccccc4n3C)C(=O)N2c2ccc(C)cc2)cc1 8869989 XNAKYANPJMBBDL-BVGVAWRYSA-N 438.556 5.999 30 40 IKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1O 9034257 XCZAGJVIWOAYNA-BRJLIKDPSA-N 439.302 5.764 30 40 IKEB N#Cc1ccccc1COc1ccc(Br)cc1/C=C1/C(=O)Nc2ccccc21 9296339 SJSRCOOPRRWHBH-UDWIEESQSA-N 431.289 5.392 30 40 IKEB O=C(Nc1cccc2ccccc12)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 9553651 BDCLJNHMISTROJ-MZJWZYIUSA-N 435.310 6.855 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2CN2CCCC2)cc1 12790065 YFEQRFUYSRNXTD-UHFFFAOYSA-N 441.600 5.376 30 40 IKEB CCSc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc(C(F)(F)F)c1C#N 16733344 DTXSQRYLIRHWEA-UHFFFAOYSA-N 448.897 6.983 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)cc1 16741314 NOJQMHIZVDVQQG-OAQYLSRUSA-N 441.512 5.091 30 40 IKEB COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@@H]1c1ccco1 18219496 WAPNHCQFZGTYRX-CPJLOUKISA-N 428.488 5.355 30 40 IKEB N#C[C@@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 49722795 HSDUHHRMMLNVIQ-LBPRGKRZSA-N 449.276 6.342 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-] 59239523 URFFUAIDUUGGOW-SFHVURJKSA-N 440.286 6.118 30 40 IKEB CCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)C[C@H](c2ccccc2)CC1=O 100140344 RBAJGAYYGOVLAB-QFIPXVFZSA-N 449.591 5.386 30 40 IKEB Clc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3)c2-c2ccccc2)cc1 100396933 CDKCUANIRFMBFJ-NJZRLIGZSA-N 432.954 8.215 30 40 IKEB Oc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 100462346 QSMINCSEZJUBNF-AJBULDERSA-N 448.953 7.921 30 40 IKEB CCCCCCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 102568200 IGVXOSMRXNZPLX-UHFFFAOYSA-N 438.381 6.236 30 40 IKEB C(=N/c1cccc2cccnc12)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408739439 BZQNAGVDFJLCTC-PPFNPFNJSA-N 449.557 8.110 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)c2C)cc1C 408742665 XQPDTKJWNJYNTH-UUYOSTAYSA-N 435.980 6.256 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)ccc1I 408785302 YHAGFFORMVPZNK-FSJBWODESA-N 448.735 6.411 30 40 IKEB C=CCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408817482 VYXDKCBELKDAEV-SBTPHQKMSA-N 433.597 6.305 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1OC 408873355 UEHMVRIYEHYRRQ-NDENLUEZSA-N 446.956 5.428 30 40 IKEB O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N\c2ccccc2)N1CCc1ccccc1 408909256 GXVCKBGHTKMQCT-IPLYMLRXSA-N 434.948 5.892 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OC(C)C 409079802 MAGIQJUMXQYAQO-BYEGDDEQSA-N 445.028 6.971 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 409209014 FBJMRYHGDMTMER-VULFUBBASA-N 430.331 6.730 30 40 IKEB Cc1ccccc1/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 409213930 ULUANOIAEFOWEZ-JVWAILMASA-N 430.345 7.240 30 40 IKEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccc(O)cc1 409406292 XBKGGVKIUPCIHD-UHFFFAOYSA-N 434.499 5.059 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 709480 RATACYVCUKXARC-VWLOTQADSA-N 444.531 5.570 30 40 IKEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 792610 TZQLJEPCNXUWFA-RLWLMLJZSA-N 442.559 5.319 30 40 IKEB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 878317 QDEHJTSYTDHTBW-XMMPIXPASA-N 430.548 5.246 30 40 IKEB COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1434757 XEOFLJWHOWJEGJ-ZBLYBZFDSA-N 438.527 5.761 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2397188 FJLTYBUYHCNVMU-UHFFFAOYSA-N 430.552 5.900 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O 8396030 NAPOFXOYNJXIQX-LMTJQJACSA-N 444.556 6.216 30 40 IKEB Clc1ccc(-c2cn3c(-c4ccccc4)cn(/N=C/c4ccccc4)c3n2)c(Cl)c1 8817757 OCLBNJZFPSBELH-MZJWZYIUSA-N 431.326 6.659 30 40 IKEB C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 8827437 VPBQKMPLLZBNJV-OAQYLSRUSA-N 444.512 5.181 30 40 IKEB CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NCCc1ccccc1 9065460 HXZCTARDRJIIEL-QFIPXVFZSA-N 443.595 5.002 30 40 IKEB CCC1=Nc2ccccc2N/C(=N\C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 9614641 FVVMCHXBZDNGSR-XMMPIXPASA-N 427.504 5.635 30 40 IKEB COc1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9731754 VGBRQKMWBAOVAT-OAQYLSRUSA-N 434.927 5.265 30 40 IKEB COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)ccc1OC(C)C 13568613 LEZOUGGFQGMRHJ-MJGOQNOKSA-N 439.939 5.140 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)cc1C 13841999 LLNFEHULSCJSPJ-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc1 16751620 JGVCUKFHZOOTDO-CVKSISIWSA-N 446.507 5.656 30 40 IKEB C=CCn1c(CNc2cccc(Cl)c2C)nn(CC(=O)Nc2cccc(C)c2)c1=S 16768688 KKGAJMZYPQFPFP-UHFFFAOYSA-N 441.988 5.121 30 40 IKEB Clc1ccccc1-c1nc(N/N=C/c2ccco2)nc2ccc(Br)cc12 58268755 HHMVFSUNQLBKPY-SSDVNMTOSA-N 427.689 5.752 30 40 IKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)c(OC)c1 72333067 LGWIRWAGRWOHLZ-DEOSSOPVSA-N 443.547 5.399 30 40 IKEB Cc1ccc(S(=O)(=O)ON=C2C[C@@H](c3ccccc3)N(C)[C@H](c3ccccc3)C2)cc1 73336585 MTAKRODIHJFYMH-DQEYMECFSA-N 434.561 5.265 30 40 IKEB CCCCCCCc1ccc(C(=O)/C=C/C(=O)c2ccc(CCCCCCC)cc2)cc1 100071627 HTPWEUOJWGEIBP-WCWDXBQESA-N 432.648 8.334 30 40 IKEB Cc1ccc(-n2s/c(=N\C(=N/c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 100688835 MMPMPNYEMKILJC-JRJTYQBFSA-N 446.579 6.588 30 40 IKEB C[C@H]1C/C(=C/c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1 245264631 DPCPTISPIMFHIU-KZMPDLLWSA-N 446.182 6.678 30 40 IKEB Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1ccccc1 408589633 MGSVUVFCQKHBOG-UZWMFBFFSA-N 441.534 7.643 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2F)NC1=O 408861838 DQDDHZFOXCKIRX-BOPFTXTBSA-N 433.302 5.045 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 409075556 WXOMGFIEMCRXGG-OPVMPGTRSA-N 444.196 6.626 30 40 IKEB Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1-c1ccc(F)cc1 409079374 FPBYXHKQTOOMOG-XNGBXZAESA-N 433.596 7.068 30 40 IKEB COc1cccc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c1OCc1ccc(C(=O)O)cc1 409186531 DIHRCEHKBCFAOR-MXAYSNPKSA-N 434.448 5.248 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl 409210989 LGJNAZDTVLFAMM-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB C=C(C)[C@@H]1C[C@H](c2ccccc2)[C@H](CC)O[C@@H]1c1cc(Cl)cc(OC)c1OCC(=O)O 2037879055 KQQPLWIZGYZTOS-ORVPSHMPSA-N 444.955 6.028 30 40 IKEB Oc1c(I)cccc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 1433848 MAPNXSLHDIZZGA-WSDLNYQXSA-N 440.240 5.556 30 40 IKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)c2C#N)C1 1771060 BIZJNXZVDYTJMX-HNNXBMFYSA-N 428.513 5.062 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1 2209124 ZEAPQUSEFZZJJT-MTJSOVHGSA-N 433.489 5.672 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(/N=C/c2cccc(C)c2)c2nc3ccccc3nc12 2264748 ASRMNYHYZJEDPI-STBIYBPSSA-N 442.567 5.058 30 40 IKEB Cc1ccc(N(CCC#N)C(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 2629888 MBBWANXJSAHTNP-HMMYKYKNSA-N 436.558 5.149 30 40 IKEB COc1c(O)ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1[N+](=O)[O-] 3206539 UQLVLFWQFRDLSF-QHCPKHFHSA-N 444.487 5.772 30 40 IKEB O=C(C1=CN[C@H](c2nc(-c3cccnc3)cs2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 4398547 ZUCDXCDTCAMUQB-PKTZIBPZSA-N 443.959 6.053 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccco2)cc1 6498942 VKWBHSAKGOIDEP-HFJWLAOPSA-N 428.488 5.209 30 40 IKEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)o1 8844559 UTWTXJMCJFFQHV-UHFFFAOYSA-N 429.432 5.035 30 40 IKEB CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc23)C1=O 9196754 DDCGVESJPRQDSU-WCQPBMKCSA-N 430.577 5.150 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4ccccc4F)ccc3C2=O)c2cc(OC)ccc21 9422212 FTMMHWDWTOONII-RPPGKUMJSA-N 443.474 6.004 30 40 IKEB CCCOc1ccc(Br)cc1/C=C1\S/C(=N/c2ccc(C)cc2C)NC1=O 12652796 KXXDJEYBQBFXQM-UNOMPAQXSA-N 445.382 5.746 30 40 IKEB CCOC(=O)/C(C)=C1/N=C(c2ccccc2)O/C(=N\C2CCCCC2)N1C1CCCCC1 16940272 OKIBUTSBBORVHP-PTFDLSMVSA-N 437.584 5.581 30 40 IKEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(C)c1Cl 17097321 NNWZUHOTXBARCV-HNNXBMFYSA-N 431.001 6.059 30 40 IKEB C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc21 20604626 YINWKSYBGKGAIQ-UHFFFAOYSA-N 442.260 5.088 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cccc(Cl)c3)c2C#N)C1 32124928 VKKQVOMPPGVJSU-CQSZACIVSA-N 430.957 5.220 30 40 IKEB O=C(CO/N=C\c1ccc(OCc2cccc3ccccc23)cc1)Nc1ccc(Cl)cc1 33393138 VYHMCXDPWSNCEB-NTFVMDSBSA-N 444.918 6.061 30 40 IKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 34807855 LEHKLFXCYIZPJE-WWFKBGPPSA-N 443.616 6.481 30 40 IKEB CC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O 51366836 OYEUKCYVXSYVKV-JCAVJTNVSA-N 430.371 5.002 30 40 IKEB O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(F)c3)S/C2=N/c2ccccc2)cc1 96006183 GHFUZGKHWTWFCA-SXVBQMOPSA-N 432.476 5.328 30 40 IKEB CCOCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1ccccc1 100278999 BRYNBLNOQPNQEA-IPLYMLRXSA-N 436.508 5.726 30 40 IKEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(OCCCF)cc1 100418650 FBTDUEWERHXFBD-SOFGYWHQSA-N 435.339 6.271 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)S/C1=N/c1cccc2ccccc12 100971604 ZVEUVVZSFYYAMR-GLOZLRHISA-N 434.948 5.884 30 40 IKEB CCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118918698 YSSYRCSUIQKJPD-ATKPHKIQSA-N 444.700 7.651 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OCC 215104761 RWVIRYJRMXVSAL-UDWIEESQSA-N 447.915 5.679 30 40 IKEB Cc1ccc(/N=N\c2ccc(N=C[C@H]3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1 408537461 VPCKXHGCASLWHQ-PSFBTJLASA-N 439.475 5.320 30 40 IKEB Cc1cc(C)c(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)c(C)c1 408575405 KYXCFAJUBPASLC-UHFFFAOYSA-N 425.484 5.092 30 40 IKEB O=C1/C(=C/c2ccc(Br)o2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408856074 ASUNSSRCROKIBV-NSMLSGJHSA-N 449.345 6.118 30 40 IKEB Cc1cc(/C=N\c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408930894 DMHFKRMLMZZDQE-YSMPRRRNSA-N 428.363 5.988 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 408998948 QXSBBTGFVHXTHQ-JMCHZZBBSA-N 440.568 5.793 30 40 IKEB CCOc1cc(/C=N/n2c(S)nnc2-c2ccccc2)ccc1OCc1cccc(F)c1 409053998 LIFAVZXSANMMDT-CVKSISIWSA-N 448.523 5.233 30 40 IKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 409115485 JJHFMWZLYGOWGI-UHFFFAOYSA-N 437.561 5.502 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2O)cc1C(C)C 409295936 PNTRUWNOSGSRGJ-UHFFFAOYSA-N 441.531 5.482 30 40 IKEB C=CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S 409348939 TYMYJCKYSGCWMB-KEBDBYFISA-N 442.968 5.869 30 40 IKEB CN(C)c1ccc(NN=C2SC(=N\c3ccccc3)/C(=N/c3ccccc3)S2)cc1 1644376 FJWOBPMTNRHOOZ-NUJSLWOLSA-N 431.590 6.376 30 40 IKEB CCCCCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2368294 XEBADOYWFORDCF-UHFFFAOYSA-N 428.583 5.031 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1OC 2433603 FAELAHSSGMVGPG-RMORIDSASA-N 440.854 5.692 30 40 IKEB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)cc1 3364228 OQZPFRLYBJVEEF-UHFFFAOYSA-N 428.561 6.048 30 40 IKEB CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1=O 8398053 MRRCQZJWNZPTSZ-XBXARRHUSA-N 427.125 5.444 30 40 IKEB CCCc1cc(SCC(=O)Nc2ccc(OC)cc2)n2c(nc3ccccc32)c1C#N 9308487 JELQMTMAMFNCQN-UHFFFAOYSA-N 430.533 5.051 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccs1)n1c(nc3ccccc31)N2 9546496 BZZXKWMOGQKOBW-WNSKOXEYSA-N 431.948 6.167 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@@H]12 12652861 HSBSDJNJPQPKOI-YDDKNALCSA-N 429.604 6.003 30 40 IKEB biogenic CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(c5ccccc5)=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 12655615 WAVPHEOFLPWMCI-JTPIQSILSA-N 432.604 6.534 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@@H]12 12719941 SDYMIDMUFXWPCF-NHTHQGPPSA-N 438.514 6.415 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccco2)cc1 16669839 BNBFJTGHJVKGIV-ACCUITESSA-N 428.400 5.596 30 40 IKEB C(=N\Nc1nc2ccccc2s1)\c1ccc(/C=N\Nc2nc3ccccc3s2)cc1 31719487 SOXLWZZEBCMACC-GACBQCINSA-N 428.546 5.798 30 40 IKEB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3ccc(C#N)cc3)C2=C(O)C1 102857495 NALGZXZFZNYTQS-MHZLTWQESA-N 447.538 6.665 30 40 IKEB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](/N=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2/N=C/c1ccc([N+](=O)[O-])cc1 226336882 AXCIBLMNRMNTNI-ULWXDGIISA-N 434.496 5.234 30 40 IKEB Cc1nn(C)c(F)c1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 252488947 JCLXLOIZLGBHIX-HCBMXOAHSA-N 447.223 5.096 30 40 IKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 408593580 QIUAEQSFHSOLMY-MZJWZYIUSA-N 446.304 5.322 30 40 IKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1Cl 408738799 OXHGAEIGPVRDEB-WYMPLXKRSA-N 445.744 6.047 30 40 IKEB CC/N=C1\S/C(=C\c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)C(=O)N1CC 408848335 YAVOFYNAWXTRFO-VDJWSQCXSA-N 428.985 5.848 30 40 IKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)N1CC 408929802 OIDSSCZLMKATSR-HZMZRVLWSA-N 432.387 5.169 30 40 IKEB Clc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)c(Cl)c1 408930809 CIWLHJAJAKHKIU-JVWAILMASA-N 441.358 6.160 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Cl)cc1Cl 409103309 VYADOVAPYXNZKQ-JQAMDZJQSA-N 427.257 6.261 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c(C)c1 409208493 CMZYMQFXYQCJMB-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 409215601 CBANSYMVLCUZMM-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409215891 GEWCXUJVJDYFMR-RPPGKUMJSA-N 444.314 6.338 30 40 IKEB CCOc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1OC 409279290 GRAZYLUJXKHXCK-UHFFFAOYSA-N 439.471 5.099 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\c1ccc(C)cc1 996750 CAUZIJFGNYRKKO-LECRTAGSSA-N 447.482 5.160 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1 2069357 JOVBHZCZJRRXEQ-HSZRJFAPSA-N 441.568 5.041 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1OC 2098185 BKKUNXIMIZBHFR-UUYOSTAYSA-N 436.847 5.193 30 40 IKEB biogenic O=C1/C(=C/c2ccccc2Br)Oc2cc(OC(=O)C3CCCCC3)ccc21 2406404 JQRVOCZURAIOEB-NDENLUEZSA-N 427.294 5.551 30 40 IKEB CCCc1cc(SCC(=O)c2ccc(OC)c(OC)c2)n2c(nc3ccccc32)c1C#N 2452886 CQPZUFJVOFLXEC-UHFFFAOYSA-N 445.544 5.304 30 40 IKEB CCOc1ccc(S(=O)(=O)N/N=C/c2c3ccccc3c(Cl)c3ccccc23)cc1 3226484 CWKFUIQAEGSUQD-MFKUBSTISA-N 438.936 5.358 30 40 IKEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1ccc(NC(=O)c2cccs2)cc1 6905746 XSTGOLXPXOQCTD-RMKNXTFCSA-N 432.328 6.212 30 40 IKEB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 9530890 PUNJQDNEQDEVMZ-SZNDQCEHSA-N 425.315 6.248 30 40 IKEB CC(C)(C)c1ccc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 10034842 ZBNYZBUCDIEYLZ-UHFFFAOYSA-N 429.541 6.047 30 40 IKEB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1C#N 12469108 JMTZDKPCHURSDM-JAIQZWGSSA-N 430.891 5.682 30 40 IKEB CC[C@H](Sc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccc(F)cc1 13003446 AGVIQJBWPPPGDB-NRFANRHFSA-N 448.523 5.163 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccccc1 13894311 IDPKXTSIWGQAMZ-WGOQTCKBSA-N 429.545 6.152 30 40 IKEB C(=N\N(CCCCN(/N=C\c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1 31669968 LAFVXUWSZCDPIQ-WVMMTVHUSA-N 446.598 6.848 30 40 IKEB C=CCc1cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc(OC)c1OCC(=O)O 59302370 YILINTMCGWDDNS-JVWAILMASA-N 447.487 5.439 30 40 IKEB C=CCn1c(CSc2ccc(CC)cc2)nnc1SCc1cccc2ccccc12 70503711 OYCGXIFIEXOEOH-UHFFFAOYSA-N 431.630 6.764 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1O 102053896 KZTBDEXWLWZZES-UHFFFAOYSA-N 434.621 7.292 30 40 IKEB O=C1/C(=N/c2cccc(F)c2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 102458184 AGIAWQKZZSPRQK-PBBVDAKRSA-N 427.523 5.205 30 40 IKEB Cc1ccc(COc2ccc(Br)cc2/C=N/OCc2ccccc2C#N)cc1 408596756 UFDJMEOMQOEZHQ-VULFUBBASA-N 435.321 5.759 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c1C 409217141 SLNNNMIWNKUSJC-DHRITJCHSA-N 438.321 6.094 30 40 IKEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1OCc1ccccc1 409369026 YAIOXEQLHBJXLZ-UDWIEESQSA-N 449.344 6.249 30 40 IKEB O=C(Nc1cccc2ccccc12)c1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 1953821 GIFCMAYSALUGAH-VULFUBBASA-N 445.862 6.110 30 40 IKEB CCC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)nc2c1 3083655 ITZRYUJKLJAVHQ-SSVJFZKPSA-N 437.370 8.456 30 40 IKEB COc1ccc(-c2cc(-c3cccs3)nc(SCc3ccccc3Cl)c2C#N)cc1 8448660 MMEHGAMSVBGPCS-UHFFFAOYSA-N 449.000 7.303 30 40 IKEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)o1 8614961 IFMHVLPNIQKVAR-UHFFFAOYSA-N 440.503 5.020 30 40 IKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 8812016 WAJJJAIOLNHDJT-JFLMPSFJSA-N 432.911 5.683 30 40 IKEB Clc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1 13476602 XBYSJHGVQIWNPZ-SSDVNMTOSA-N 427.689 5.752 30 40 IKEB CCC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O 13582832 NVHYTASQZUFVJY-LXYRJJAWSA-N 444.398 5.392 30 40 IKEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1cccc(C(F)(F)F)c1 13943712 QOCBQVTUUWIKIR-OVVQPSECSA-N 443.454 5.328 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(OC)cc1 14083196 DCZOAUUAWGYEGB-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB Clc1ccc(-c2ccc(/C=N/c3cccc(-c4nc5ccccc5o4)c3)o2)cc1Cl 14920792 FWJNFVFWEXLLPN-MZJWZYIUSA-N 433.294 7.812 30 40 IKEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 16728825 VIGGYLSUQFIPKA-UHFFFAOYSA-N 446.469 6.859 30 40 IKEB COc1ccc(OC(=O)N2C/C(=C/c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1 17951722 RTUXBVLRCHGASV-SWRBISBUSA-N 425.484 5.246 30 40 IKEB COc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccc(OC)cc2)cc1 59464295 VNTFWCDYYVVRPP-CVKSISIWSA-N 434.948 6.898 30 40 IKEB Cc1cc2sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Cl 97983729 JLRQHYUDMRGOSN-UHFFFAOYSA-N 444.706 5.665 30 40 IKEB Oc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 100461239 DNEOZYWUICHAEH-AJBULDERSA-N 448.953 7.921 30 40 IKEB C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1ccc2ccccc2c1 225066530 JHFRGASRTROWBD-UHFFFAOYSA-N 429.925 5.051 30 40 IKEB CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 253617995 JKWKMORAXJQQSR-LJXJJVDOSA-N 428.657 7.181 30 40 IKEB CCCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)cc1 409019115 YNSQUZBZQKWRHH-PKAZHMFMSA-N 432.589 6.727 30 40 IKEB Cc1cccc(COc2c(Cl)cc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2Cl)c1 409094449 DETNCRBKLGFBSO-BHGWPJFGSA-N 431.279 5.630 30 40 IKEB N#Cc1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 409140469 FKEOROLJBUXDGM-QFEZKATASA-N 449.535 5.798 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 409210785 MLYGGQVLTATDOJ-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cccc(Cl)c3C)cc2Cl)cc1 409210901 HLILQGRADSWKSG-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CCCOc1c(I)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409211566 OIGZOVAOHUZVIP-SRZZPIQSSA-N 443.712 5.801 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OCC 409216352 KDIFPTNKTBWWRQ-LPYMAVHISA-N 435.305 5.622 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2OC)C2=C1CC(C)(C)CC2=O 409218921 YLJAKAHYCWQFQP-UHFFFAOYSA-N 437.580 5.409 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccccc1 1428427 OQKTUFQUZMLROU-IBGZPJMESA-N 431.344 5.758 30 40 IKEB O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 6409334 ZUAMHLSIDAJCBN-OVVQPSECSA-N 443.528 5.212 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 8991717 YJJYQDYQBMRCJF-ZVHZXABRSA-N 439.467 5.331 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Br)cc1 9246551 KQWHDJSPWCHABU-IBGZPJMESA-N 434.333 5.387 30 40 IKEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N([C@@H](C)c2ccccc2)C1=O 12372339 OUHSPJKTHNYAMN-NEKVGTOOSA-N 437.568 6.842 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc(Cl)cc1 12788172 KQWLXFUCIGLKKH-CQSZACIVSA-N 431.920 5.199 30 40 IKEB O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2Cl)ccc1SCc1ccccc1 12960115 UEUIRMCVLYHOOZ-WYMPLXKRSA-N 447.343 6.745 30 40 IKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 13653621 UZGXCFBVMMFFJD-HHLUSPNUSA-N 447.284 5.684 30 40 IKEB COc1cc(/C=N/OC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1 14075005 ICWJKKALCAAORN-MZJWZYIUSA-N 429.394 5.484 30 40 IKEB COc1cccc(/C=N\c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O 14406266 BUQGKAQAPLIGJV-QFEZKATASA-N 445.500 6.159 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1sc(C#N)c(N)c1[C@@H]2c1ccc(Br)cc1 16578000 STVCYNGBMOYEKD-OAHLLOKOSA-N 428.355 5.165 30 40 IKEB O=C(C[n+]1c(SCN2CCCCCC2=O)sc2ccccc21)c1ccc(Cl)cc1 26441498 LDCXKGLVRJDSMX-UHFFFAOYSA-N 446.017 5.177 30 40 IKEB O=[N+]([O-])c1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)cc3)n2)cc1 31854473 CFNGKKCRNCPLCQ-OYKKKHCWSA-N 430.489 5.743 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3cccc4ccccc34)c2C#N)C1 32124674 JZSZQICPRMVZAE-KRWDZBQOSA-N 434.630 6.655 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(C)C1=O 33719205 MYOJNBBTEKBGAU-MDIFQPDJSA-N 432.501 5.171 30 40 IKEB C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@H]2[C@@H]1c1ccc(OC)cc1 40487522 KUDIFHJEAAEZSH-DCRJLOPRSA-N 447.604 5.361 30 40 IKEB C=CC/N=c1/scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc2c(c1)OCO2 103371427 MFXDRBSLGLZLGR-YPADEYIUSA-N 432.332 5.221 30 40 IKEB C=C(C)C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103547878 AIIUJTLQIOPZBE-UHFFFAOYSA-N 446.203 5.625 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 118916322 PXDOMWMSMCFAEF-XUWCKDQISA-N 444.562 6.254 30 40 IKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(I)cc1 408769689 ZGBQUKITPKYUAJ-FOKLQQMPSA-N 436.243 5.728 30 40 IKEB Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(I)cc1 408771436 GKLPBWHJWCBINY-CIAFOILYSA-N 432.330 5.738 30 40 IKEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 408781407 SDKQHKRMOFIFFC-XYGWBWBKSA-N 440.543 5.588 30 40 IKEB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(OCC#N)cc2)C1=O 408809179 QXCVSJPRFOQMCM-QMJJWYKPSA-N 432.569 5.643 30 40 IKEB COCCN1C2=C(C(=O)CCC2)C(c2cn(C(C)C)c3ccccc23)C2=C1CCCC2=O 408896005 JCWPROSBVCIKHC-UHFFFAOYSA-N 432.564 5.282 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(N2CCCCC2)cc1 408928568 CLROBUFHSCJFPJ-HLTANSAUSA-N 435.549 5.030 30 40 IKEB Cc1cccc(Cn2cc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc32)c1 408994764 IQJKPQYIMHMWOE-ZMOGYAJESA-N 429.436 5.260 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409199290 CBCKVBTZDQLVCM-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1C(C)C 409202408 SJRRIYCJQYTQOH-PIINERKHSA-N 444.600 6.508 30 40 IKEB Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1C 409210797 LISXQHOUPSHVBG-KKMKTNMSSA-N 448.828 7.427 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1 409211452 NQLXGJQAYCUPKC-DHRITJCHSA-N 444.756 6.749 30 40 IKEB Cc1ccsc1C=Nn1c(C2CCCCC2)nc2ccc(Br)cc2c1=O 409318311 YDQMYQXUGBMHCH-UHFFFAOYSA-N 430.371 5.459 30 40 IKEB Cc1ccc(COc2ccc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 409406540 XNPMNAIUHNYFTN-UHFFFAOYSA-N 445.522 5.833 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Br)C2=C(CC(C)(C)CC2=O)N1 823440 KJYBMQWDXCWJHZ-LJQANCHMSA-N 432.358 5.005 30 40 IKEB Clc1ccccc1/C=C/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 1955890 BTYMLZPPNWAYDA-CGKKIJBTSA-N 437.724 7.326 30 40 IKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C(F)(F)F)cc1 8846696 SWLSQKIALIIEJM-WXTAPIANSA-N 448.488 6.993 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 9374194 FKBCHNZOOUEIAJ-OAQYLSRUSA-N 438.310 6.085 30 40 IKEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1ccc(Cl)c(Cl)c1 13940006 NNZYXZDHBOWPJF-BWAHOGKJSA-N 444.347 5.616 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1cccs1 15826249 DQVKWHBFOOKMBA-XMMPIXPASA-N 443.572 6.597 30 40 IKEB Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccc(C)cc3C)S2(=O)=O)c1 20132803 UJJRRYWJSUUCRM-BUVRLJJBSA-N 432.545 5.098 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N/[C@H](C)c1ccccc1 101379233 RAKNCXLTUBNDOR-QKBYUYSNSA-N 444.025 6.154 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C2\CC(C)(C)CC3=C2[C@]2(O)CC(C)(C)C[C@@](C)(C3)C2)cc1 103750307 QAQUQGOMHJOOAE-XNUWEQLQSA-N 444.641 5.097 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226336670 NOPRLDUZMIWKAT-FNORWQNLSA-N 427.711 5.977 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12 408595523 XFHAPFJVJHHKFJ-JVWAILMASA-N 442.471 5.886 30 40 IKEB Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=Nc4ccccc4)NC3=O)c2)cc1C 408726449 SVEPWOOAJOOEBH-ACYHEVRDSA-N 428.517 6.316 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)S2)cc1 408766161 PKAHVMYMVDRNIV-JLPGSUDCSA-N 445.588 5.947 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1C1CCCC1 408774368 ZSJLJXWXMOTZKE-GRSHGNNSSA-N 434.392 6.418 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC 408811760 ALPOPTDXWQTWFV-AQTBWJFISA-N 444.350 5.817 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 408814026 PMKKVPLWJAAXDP-JAIQZWGSSA-N 425.916 5.778 30 40 IKEB CCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N\c1ccc(C)cc1 408909403 CTHJWEVAINJBGK-GEZLPURSSA-N 436.580 7.315 30 40 IKEB CC(C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc12 409083083 UTXAXDUEPHTONW-MQRLXVCBSA-N 430.617 7.462 30 40 IKEB O=C(/C=C/Nc1ccc(Oc2cccc(N/C=C/C(=O)C(F)(F)F)c2)cc1)C(F)(F)F 2313639 BVCVSVJXLFKRJQ-GFULKKFKSA-N 444.331 5.593 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1O 3114337 XPIIILUAORFPGR-VULFUBBASA-N 445.475 6.165 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1C 6280397 OPKOBAVUMQGNTL-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 8454169 LTFKDVHRYNOPCR-OEAKJJBVSA-N 427.504 5.720 30 40 IKEB C1=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C/C1=N\OCCN1CCCC1 8642430 INXREGQZIJKRLL-QEQOECLBSA-N 436.599 6.510 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C)s2)C2=C(C[C@H](c3cccs3)CC2=O)N1 9113491 VVLLUTNDRUIFPM-HJPURHCSSA-N 441.618 5.679 30 40 IKEB COC(=O)c1cc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)ccc1Cl 9195590 WHRSGWHWYQTLIN-YSURURNPSA-N 437.710 5.817 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 9296734 YBJZTIUCENMTQN-WSDLNYQXSA-N 426.816 5.181 30 40 IKEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(Cl)c1 14126774 ZIEDNZKPHVMSJY-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB COc1ccc(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1Cl 15911709 UDJHRQYDCKKPSP-BRJLIKDPSA-N 433.722 6.658 30 40 IKEB Cc1ccc(C)c(/N=c2\scc(-c3ccc(C)c(C)c3)n2/N=C/c2ccc(O)cc2O)c1 16035356 FJPGFJCPTUWJRK-DJJMWSHQSA-N 443.572 5.976 30 40 IKEB CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)ccc1OCCC(C)C 20797201 VKYJZCSPPZZNRW-VWLOTQADSA-N 433.552 5.738 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 34239747 POKGESLRCWHPFR-GEWRCSBCSA-N 440.712 7.204 30 40 IKEB biogenic,in-vitro O=C1/C(=N\Nc2ccc(Cl)cc2)c2ccccc2N1CCOc1cccc2ccccc12 46085196 DGWHYMQNRNZYME-GNVQSUKOSA-N 441.918 5.735 30 40 IKEB COC(=O)c1cccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)c1 59500728 PKTNLZJPWBEJNO-VULFUBBASA-N 449.915 6.311 30 40 IKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1/N=C/N1CCOCC1 100986682 WWENXMDAEOVSAZ-ZTKZIYFRSA-N 436.515 5.327 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccncc1 104387819 ORSYGWXOXOGXLP-WEMUOSSPSA-N 432.722 7.141 30 40 IKEB COc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408733179 WOZNICYGCAAPQZ-DFKUXCBWSA-N 428.535 7.571 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)cc1OCC 408807462 CJSLVXKNHUDEMG-MOSHPQCFSA-N 440.952 5.259 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)c2ccccc12 408914428 UUZIWMBZVLWWRH-AJGXWLHTSA-N 444.600 6.815 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409201609 MZJLYGSAXXPBSY-WSDLNYQXSA-N 446.915 6.032 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 409206541 WXGSPGDTKLGHBD-FDAWAROLSA-N 435.954 8.284 30 40 IKEB COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 504564160 LHZZMHLXKOFUGQ-PZLURSOGSA-N 448.559 5.477 30 40 IKEB biogenic C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C\[C@](C)(O)C(C)(C)O 606512596 BPEQZNMKGFTMQE-LWQLXKNBSA-N 428.657 5.871 30 40 IKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2c1 1354432 FOVRXQPDEZEBMD-UHFFFAOYSA-N 432.574 5.266 30 40 IKEB CCOC(=O)[C@@H](CC)Sc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N 6134574 CNRZJMLGILQIBC-HSZRJFAPSA-N 432.545 5.730 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)COc1cc(C)ccc1C(C)C 8400080 FHEBVPZQSARXAL-UHFFFAOYSA-N 431.705 8.095 30 40 IKEB N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1S[C@@H](C(=O)O)c1ccccc1 9086442 OTRPBEBNDWHHIR-HXUWFJFHSA-N 434.567 6.328 30 40 IKEB COc1cc(C(=O)Nc2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1 9223981 CSFIYDJJCXXHQP-UHFFFAOYSA-N 437.293 5.161 30 40 IKEB O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 9420387 BAMTZYJMXSXREB-JAIQZWGSSA-N 447.295 5.377 30 40 IKEB COc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)c(OC)c1 12482499 SHQCJEZNACXXKM-CYYJNZCTSA-N 447.604 6.489 30 40 IKEB O=C1N/C(=N\c2cccc3ccccc23)S/C1=C/c1cc(Br)ccc1O 13914287 OVRQBZRVUHDVND-WOJGMQOQSA-N 425.307 5.200 30 40 IKEB CCOc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1OCc1ccc(F)cc1 16693331 GGJKYYKSCZQRBC-NDZAJKAJSA-N 440.518 7.298 30 40 IKEB C=CCN1C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N/N=C/c1ccc(OC)cc1 16713123 PZZFPISBOBBHCJ-MZKWWRRPSA-N 448.375 5.065 30 40 IKEB CCCCCc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1 19095771 YQDJVRJXBPGLTH-UHFFFAOYSA-N 435.955 6.273 30 40 IKEB N#CC[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)Nc1ccc(Cl)cc1 20366109 NLMYZJUNNPNMCN-ZDUSSCGKSA-N 433.217 5.350 30 40 IKEB CN(CCN(C)/N=C/c1c(Cl)cccc1Cl)/N=C\c1c(Cl)cccc1Cl 25691485 AIQURGZGERKJGO-QEUMEHMPSA-N 432.182 5.532 30 40 IKEB C/C(=N/Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccccc1 26713018 BAZSWVFNELLLQD-YUMHPJSZSA-N 444.560 5.135 30 40 IKEB CCOc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1 27017860 GCEVMCSEUDKBBE-HMMYKYKNSA-N 445.540 6.136 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 51366930 NRXWTULIFTWMEG-UIAIJNLVSA-N 431.561 5.483 30 40 IKEB COc1c(F)c(F)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1F 112292010 NXCNRVSDHYKLFG-UHFFFAOYSA-N 435.217 5.542 30 40 IKEB C=CCOc1cc(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 408813953 FJACHIZOTFUDCI-WQRHYEAKSA-N 446.322 5.263 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3cc(Br)ccc3O)C(=O)N2C(C)C)cc1 408914456 UVZQNRTYXHMDFI-AUCMGLCLSA-N 431.355 5.476 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccccc1 408932992 GJAMEFOVUKWROW-JHRGVAJVSA-N 431.355 5.090 30 40 IKEB Cc1cc(C)c(COc2ccc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)cc2)c(C)c1 408988161 HGSKSHOTFPDCBP-OYKKKHCWSA-N 446.547 6.222 30 40 IKEB CCCCCCCCNC(=S)Nc1ccc2nc3cc(OC)c(OC)cc3nc2c1 408994194 HCFXYWWTNHPIRU-UHFFFAOYSA-N 426.586 5.447 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 409210903 HLOOEISZUUGBRR-ZMOGYAJESA-N 430.729 6.441 30 40 IKEB C#CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1Br 409214600 WIJTZYLWLACBCL-CIAFOILYSA-N 437.131 5.373 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(OCC)c1O 409242444 NPACEYUCDPBILM-YJECAWTJSA-N 426.513 5.282 30 40 IKEB COc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)o1 409386776 XOQNLXHWFSBLOO-JVWAILMASA-N 427.456 5.983 30 40 IKEB C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 2416937 RZWGJNIUSNQWAG-QFIPXVFZSA-N 444.874 5.156 30 40 IKEB COc1cc(/C=N/c2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3112018 RNBUMJQTGZZVIV-MFKUBSTISA-N 443.415 6.208 30 40 IKEB O=C(/C=C/c1cc2cccc3ccc4cccc1c4c32)c1ccccc1OCc1ccccc1 4288006 UWKXWDDLKZWNKW-VHEBQXMUSA-N 438.526 8.059 30 40 IKEB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)c1 4858140 KWEXZMBPEWLCEB-UHFFFAOYSA-N 425.598 5.229 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(OC)cc1 9307143 PADPHGZSVFVSFF-UHFFFAOYSA-N 441.556 5.782 30 40 IKEB COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)cc1 9353283 CAMUSEPURBNFJG-NTEUORMPSA-N 426.428 5.008 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@H](C)Oc1ccccc1 13850569 WQFLLAPHCHUQON-SFHVURJKSA-N 436.581 5.458 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 16610634 ULOYTUVYXLVYLM-JUCPORTRSA-N 449.894 7.026 30 40 IKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl 16789597 JQWKEZQLZZQIOX-UHFFFAOYSA-N 439.393 5.154 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 18254418 USRVMCCQMYGPRS-AREMUKBSSA-N 430.592 6.537 30 40 IKEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)CCCC3 59433775 FDUQKDOACRMIRU-KIBLKLHPSA-N 444.343 5.786 30 40 IKEB N#Cc1ccc(CSc2nnc([C@H](O)c3ccccc3)n2-c2ccccc2)c(Cl)c1 59720664 QBOZHWLKTOYFHW-OAQYLSRUSA-N 432.936 5.166 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102875870 BTYLXIZFJHYXTB-YDJIHCHBSA-N 448.450 5.201 30 40 IKEB CO/C(=N\[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 103611276 NTSSBJCZIZYUSP-AJIWAEEYSA-N 430.788 5.071 30 40 IKEB Cc1ccc(/N=C(/C(=O)c2ccccc2)[C@H](Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1 104080796 MVHBIQWZFZKONM-XOHYTFRVSA-N 446.550 6.622 30 40 IKEB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1C#N 107743218 ZWLKOWFRCLGNKF-UHFFFAOYSA-N 428.985 5.597 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)c([N+](=O)[O-])cc4C)o3)S2)c(C)c1 408720943 HHEYNWDTDFHHEN-UUYOSTAYSA-N 447.516 5.980 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408750122 XNYAFDZIKAHTHS-LICLKQGHSA-N 449.746 6.798 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)S1 408779426 WSGNXAYIBVOIGO-JLPGSUDCSA-N 443.616 6.592 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cc(C)ccc2C)N(CC)C1=O 408914181 WAABBIFQCSNRCA-FUQOYWQNSA-N 444.600 6.869 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCC(C)C)C(=O)N2C2CCCCC2)cc1 408915421 YFTPRPDUXJILKR-FUQOYWQNSA-N 448.632 6.967 30 40 IKEB CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(OCC)c1 408916631 YPPJUZYBTLWICN-WPWMEQJKSA-N 448.588 6.427 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc(Br)cs1 408963914 DPSGQZJERXXXEP-VZUCSPMQSA-N 434.167 5.709 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3O)c2C(=O)NCc2ccco2)C1 409092690 WCJBVSCNDMIHDD-PZLUAEMBSA-N 436.577 5.878 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccccc1Cl 409110770 YJYWGBMVGLAJMW-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB COc1ccc(Cl)cc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409278373 DFRYKLWUGWVUOZ-UHFFFAOYSA-N 429.863 5.354 30 40 IKEB Cc1cc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c(C)n1C(C)C 409299530 SYNGGSNWOUUPDE-UHFFFAOYSA-N 429.362 5.164 30 40 IKEB CC(C)c1ccc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 1531100035 RHBYSFXYEQTHRL-CFRMEGHHSA-N 426.358 5.462 30 40 IKEB C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 2646169 JGWNAMGKENZHPV-UHFFFAOYSA-N 448.950 5.206 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 3098421 VBHXRBFTMHYHBI-OAQYLSRUSA-N 448.390 6.083 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CCCCC1 3343744 BJHQLNUYSPAKEV-UHFFFAOYSA-N 448.592 6.035 30 40 IKEB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)/C=C/c2ccccc2)c2cc(Cl)ccc21 8922599 VBOAJZKGULBSLR-PUHSMXRQSA-N 431.919 5.055 30 40 IKEB COc1cc(C(=O)/C(=C/C=C/c2ccco2)c2nc3ccccc3o2)cc(OC)c1OC 13654990 GBPHLLURRLRNOG-FHTUUITISA-N 431.444 5.426 30 40 IKEB C=CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 13845444 BOLCEFJONJZAJR-UHFFFAOYSA-N 436.364 5.651 30 40 IKEB Cc1ccc(/N=C\C=C(\Nc2ccc(C)c(Cl)c2)c2ccc(Cl)cc2)cc1Cl 16312807 UOQZPAZZODYLAG-NWVFTJPISA-N 429.778 8.119 30 40 IKEB Cc1ccc(C(/C=C/c2ccc(Cl)cc2)=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 16739870 IUDKJALZZXTDRG-RGDDEBLSSA-N 436.855 5.994 30 40 IKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])s1 17042932 GBYGBVGDGOQLFP-NRFANRHFSA-N 439.537 5.455 30 40 IKEB Cc1ccccc1C(=O)Oc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)cc1 59193843 OMEZLVLJCLVUBW-WGOQTCKBSA-N 427.529 6.092 30 40 IKEB CCCCn1c(/N=C/c2ccc(OC)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176688 MQGCWLKJWMTVCH-NJZRLIGZSA-N 433.555 7.253 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Br)cc1 100442310 CVXMCWODKNBQFO-REZTVBANSA-N 433.925 5.430 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)cc3Cl)c3ccccc32)c1 408543613 PHWPXTCHNGYJAQ-WKIKZPBSSA-N 437.326 6.534 30 40 IKEB O=C(O)c1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408741162 OFDOMIPNDJMQCM-NJZRLIGZSA-N 442.518 7.260 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S/C1=N\c1ccccc1 408906455 BOOPGEFRKPZYQY-ZIGJTDFESA-N 444.398 5.529 30 40 IKEB CCCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408915396 XYMUIVIBTVJILD-OQNHBUHUSA-N 438.593 6.195 30 40 IKEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409072319 UXJZYFRBWHTJOH-WYMPLXKRSA-N 440.839 5.285 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3OCc3ccccc3)c2C#N)C1 409083609 VKTDYRDDSBRTBC-YJLDXCOUSA-N 428.601 7.100 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)S/C1=N/c1ccc(Cl)cc1 409084866 NFHIKKLHTXDXTK-HTEZIOAISA-N 430.957 5.680 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1 409087140 GMBKEGDHTYEQMI-OVNWTWFZSA-N 446.572 6.568 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c1 409209857 JMAJQUYAPCLJIK-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC 409230942 HCOJPRDNANZVEO-HLSZVSLFSA-N 440.565 5.505 30 40 IKEB O=C(c1cc(Cl)cc(Cl)c1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242758 HBYBVVGEUGAVOR-UHFFFAOYSA-N 427.477 6.298 30 40 IKEB N#Cc1cccc(Oc2ccccc2-c2ccccc2Oc2cccc(C#N)c2C#N)c1C#N 990944 LSOXDYZCTJVMRO-UHFFFAOYSA-N 438.446 6.425 30 40 IKEB Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1 1881429 QYLNPPAWMSGDOW-VULFUBBASA-N 443.300 6.867 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(CC)c1 2222350 HGSPGQDGLAHDPM-UHFFFAOYSA-N 439.563 5.816 30 40 IKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(N3CCN(C)CC3)n2)cc1 4489341 HLPKXPCFCVDHKC-UHFFFAOYSA-N 437.374 5.654 30 40 IKEB Cc1ccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c(C)c1 8427318 IXGPQHYEMXSDJS-UHFFFAOYSA-N 432.492 6.292 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4OC)c3C)C2=O)c2ccccc21 8993423 KPFGZUKGBBDUER-CVKSISIWSA-N 439.511 6.173 30 40 IKEB Brc1ccc2nc(N/N=C/c3c[nH]c4ccccc34)cc(-c3ccccc3)c2c1 9335071 BYLVTWNOBYXDAI-JFLMPSFJSA-N 441.332 6.592 30 40 IKEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 9385633 UPVBIHAEZRFNQU-UHFFFAOYSA-N 433.515 5.462 30 40 IKEB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3sccc3C#N)n2n1 12568786 ANXRSYHSULQDCC-HNNXBMFYSA-N 433.562 5.066 30 40 IKEB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C/c1ccc(C#N)cc1 13108800 CBNZGKSQTBBWJR-ACCUITESSA-N 432.545 5.269 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(Br)c1 13218501 NFFIXKMOHLPLEO-IBGZPJMESA-N 434.333 5.387 30 40 IKEB CC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O 13618189 OYEUKCYVXSYVKV-JOHJSAGNSA-N 430.371 5.002 30 40 IKEB COc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c(OC)c1 16215454 CBGRKBJHDIEXTQ-MYYYXRDXSA-N 426.582 5.457 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1sc(C#N)c(N)c1[C@H]2c1ccc(Br)cc1 16578003 STVCYNGBMOYEKD-HNNXBMFYSA-N 428.355 5.165 30 40 IKEB Cc1cc(O)c(CN(CC(C)C)CC(C)C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20650339 OQJAVNIHGRVLGU-MSXFZWOLSA-N 433.548 6.177 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1ccccc1F 21722742 XYKHUYOPELAIKK-VWLOTQADSA-N 447.535 5.506 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)Nc2ccccc2C#N)cc1OC 27232093 OBNSVYJLIKBQBM-UHFFFAOYSA-N 439.475 5.072 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c2ccccc21 28182594 WCOWGGOSYCTFAU-QFEZKATASA-N 443.930 6.818 30 40 IKEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc(Br)c1 35647542 LKZYZVLWFKALNO-VGOFMYFVSA-N 428.138 5.648 30 40 IKEB Oc1c(Cl)cccc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 59475473 ZLZZVSPDBXVBGH-IOXBOXJCSA-N 429.719 6.094 30 40 IKEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 59484855 LYFALZGRIMQGOA-YWROOUKNSA-N 429.501 5.268 30 40 IKEB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc3c(c2)oc2ccccc23)C[C@@H](C)O1 100153483 RWZXQKINCTWOLT-RRXSZFJQSA-N 429.476 5.858 30 40 IKEB CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCC(=O)O 100923477 KXGNCUFXKWXCMR-UHFFFAOYSA-N 438.737 9.413 30 40 IKEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102575421 YJEAIVDFNQKTTI-HOGKFDNTSA-N 433.891 5.365 30 40 IKEB Cc1cc(C=N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)n1-c1ccc(F)cc1 408737521 CMTZQSIILIXZMB-CTPKECNBSA-N 430.502 6.233 30 40 IKEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C(=O)N1CC 408928723 DXXWXXBQBNHZAC-SGFRRPFJSA-N 449.403 6.193 30 40 IKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(C)c([N+](=O)[O-])c3)sc1C2 409060426 ZVZBHFHWKLZNSH-ZVBGSRNCSA-N 444.310 5.453 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 409232965 JGQZYKGHNOTYJO-DZUMZMOTSA-N 430.957 5.726 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 504472488 RSYAEGYTIQGKTB-PPNURWPLSA-N 428.701 8.248 30 40 IKEB COc1cc(/C=C2\CC/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C 8444324 BPFXIWBXTKYKNV-JFMUQQRKSA-N 436.548 6.108 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccccc4C)c3C)C1=O)cn2C 9423720 WMBXXIHDPVZAQM-LGJNPRDNSA-N 439.511 5.999 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)cc1 9907650 WIBCONRPMIDGLS-AFUMVMLFSA-N 436.533 5.266 30 40 IKEB Brc1ccc(/N=C2/c3ccccc3CN2c2ccc(Br)cc2)cc1 15023415 YZMUYKYGGZVXSN-ATJXCDBQSA-N 442.154 6.310 30 40 IKEB Cc1ccc2oc(-c3cc(/N=C\c4ccc(OCc5ccccc5)cc4)ccc3O)nc2c1 18097027 PQDNFSRPUPGFFE-RHANQZHGSA-N 434.495 6.838 30 40 IKEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 28217539 KSARFGNNMBAGKQ-LPYMAVHISA-N 427.371 5.177 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 59418028 IARVIZJAOAONQB-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB C=C(CC[C@@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 96023659 HKRMRIDUAZDXGO-UGJKGGJJSA-N 440.712 7.754 30 40 IKEB biogenic COc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 100179990 RSAOEYAJYLAAKS-ZVHZXABRSA-N 431.473 5.850 30 40 IKEB O=C(O)CSC1=N/C(=N/c2cccc(Cl)c2)C2(CCCC2)N1c1ccc(Cl)cc1 102468141 XPGXNNQLYBBESM-LYBHJNIJSA-N 448.375 6.030 30 40 IKEB C=CC/N=c1/scc(-c2ccc(Br)cc2)n1/N=C/c1c[nH]c2ccccc12 105760102 DLZIVJLXJOMBMB-UXSVKDOFSA-N 437.366 5.429 30 40 IKEB COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OCc1cccc(C)c1 113834749 GTZZEUVKPRUZLW-HZHRSRAPSA-N 430.529 5.474 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 253617041 CMCWTYNIVZMUIH-DYUGLELGSA-N 430.554 7.701 30 40 IKEB CC1(C)[C@H](C=C(Br)Br)[C@@H]1O[C@H](C#N)c1cnc2ccccc2c1 254405781 LAVBPVFCUCRKLJ-UNEWFSDZSA-N 436.147 5.472 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC 408530078 IOENKPKZGTYLAK-UYRXBGFRSA-N 428.941 5.504 30 40 IKEB C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC 408766845 HKFRNQMSJLFUIP-GJISQHIDSA-N 438.593 5.375 30 40 IKEB O=C(O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408906160 ARIJCJNGAVUCJK-RZZGQMAMSA-N 428.513 5.232 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1cccc(F)c1 409212301 POWWGSASNWGILZ-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB CCOc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc([N+](=O)[O-])c1O 409389081 ZEAIQPAOMMLNHR-WYMPLXKRSA-N 433.376 5.434 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1531384040 TZFULTBNHNGGOY-UXHLAJHPSA-N 449.485 5.664 30 40 IKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 3114238 UEMDPPQZVQJQIL-KIBLKLHPSA-N 439.830 6.269 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1 9196565 NEEZSVGBUDGHPJ-LGJNPRDNSA-N 444.362 5.701 30 40 IKEB O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OC/C=C/c3ccccc3)ccc21 9577157 ZAALHXJBDMNOMY-ZYPUKPEJSA-N 433.301 6.158 30 40 IKEB C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N=C1O 13942405 FUCVNNBMKSFKFK-CPNJWEJPSA-N 442.518 5.110 30 40 IKEB O=C(Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccc(F)cc1)c1ccccc1 16752060 ZBCWDCGLGKVERF-AFUMVMLFSA-N 432.480 5.353 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccccc1F 20503317 NTHACJRDXJMIET-VWLOTQADSA-N 431.467 5.038 30 40 IKEB CCN(CC)c1ccc(/C=C2/C[N+](C)(C)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 31830006 YMIJXUMZUAPUNM-DQIQZUARSA-N 446.659 5.505 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Cl)cc1Cl 34865482 YCGHWTUGSIERMD-UHFFFAOYSA-N 434.392 6.259 30 40 IKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@@H]21 45069002 ZJUABQDERHSYQM-IYMLOVEFSA-N 440.605 5.634 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 103510949 IPFXDCQCLKYLTJ-KWPJTZOTSA-N 426.541 6.056 30 40 IKEB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)[nH]c(=O)c1C#N 107538708 CKIJQEXEVANRMZ-FNORWQNLSA-N 446.246 5.038 30 40 IKEB C=C(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253534228 XTCFYHGQQPCUJI-VDXKGVKBSA-N 444.744 7.386 30 40 IKEB biogenic,in-vitro CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O 256454179 XTDMMOAGCXHNPN-VOOBWTCMSA-N 442.728 7.738 30 40 IKEB N#Cc1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)cc1 409017371 NQZUWXPUFIRCGB-WAMJVRJTSA-N 447.519 6.627 30 40 IKEB Cc1ccccc1Oc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409106053 QEIUDCXSNGNSON-WSDLNYQXSA-N 427.254 5.914 30 40 IKEB COc1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)cc1C 409284012 SRJQVFWNXVVEMW-UHFFFAOYSA-N 443.890 5.662 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 1080231 LPASXEOEVJVMQJ-PPHZAIPVSA-N 446.506 5.922 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccccc1 1428428 OQKTUFQUZMLROU-LJQANCHMSA-N 431.344 5.758 30 40 IKEB Cc1ccc(-n2c(NC(=O)/C=C/c3ccccc3)c(C#N)c3nc4ccccc4nc32)cc1 2282712 VDBKQFZDVAWQSD-DTQAZKPQSA-N 429.483 5.406 30 40 IKEB CC(C)Oc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 8915579 LOUFPBQVJNQDLB-RCCKNPSSSA-N 428.444 5.947 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc(C)c(C)c1 12787630 FWFBRGGABFSMJI-QGZVFWFLSA-N 425.529 5.163 30 40 IKEB FC(F)(F)c1cccc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)c1 12957129 SGFPPAUJSVTUQR-LUOAPIJWSA-N 441.236 6.750 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1c(C)n[nH]c1C 13286186 JACGFSGWKKACCZ-MGXYOJEMSA-N 448.017 5.454 30 40 IKEB CCSc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)cc(C(F)(F)F)c1C#N 16805626 ILYFJHHSLSXEJH-UHFFFAOYSA-N 432.442 6.469 30 40 IKEB C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cccc(C)c2C)S1(=O)=O 20063609 ZPMVGRCUWQFALA-UHFFFAOYSA-N 444.556 5.037 30 40 IKEB Cc1ccc(C(=O)C[n+]2nc(CNc3ccc(Cl)c(Cl)c3)n3c2CCCCC3)cc1 27526021 GZACPYYLNHCLII-UHFFFAOYSA-N 444.386 5.007 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccc(C)cc4)c3C)C1=O)cn2C 28182494 NSJVESBVBFHOAR-ZMFRSBBQSA-N 439.511 5.999 30 40 IKEB C=C(C)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 32109979 DBXKPKPNOFMEGU-UHFFFAOYSA-N 438.524 5.001 30 40 IKEB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 36612258 FJIRFWDJPBXNKB-IQQYQOOISA-N 430.544 5.739 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2Cl)cc1 44859087 ZLLGNARPMMGWAF-JOCHJYFZSA-N 432.911 5.119 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 83261805 FKVRRMCOCJMSAB-BKUYFWCQSA-N 437.952 5.648 30 40 IKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(O)c(Br)c1 83326588 OXCBEKAUYUJXAV-QPEQYQDCSA-N 444.137 5.353 30 40 IKEB Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccnc2ccccc12 95945311 XQGSNEWPIIXTKA-NTCAYCPXSA-N 434.926 7.308 30 40 IKEB CCCCCCCCCCCCCCCCCc1cc2[nH]c3ccc(Cl)cc3n2n1 100988561 MEABPWRIKSZWCX-UHFFFAOYSA-N 430.080 8.883 30 40 IKEB Cc1c(CCC(C)C)/c(=N/c2ccc(Br)cc2)n2c([nH]c3ccccc32)c1C#N 101834997 LCGCUZKVHVYBIG-VYIQYICTSA-N 447.380 6.184 30 40 IKEB CC(=O)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102801313 MCFRKMOPESMPQG-MOBKVPTQSA-N 431.875 5.169 30 40 IKEB N#Cc1ccccc1Cn1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c2ccccc21 137922426 RCDCKKNRFMINJJ-PWHRVSNJSA-N 440.553 5.436 30 40 IKEB CC(C)OC(=O)c1ccc(-c2ccc(C=Nc3sc4c(c3C(N)=O)CCCC4)o2)cc1 245228074 BBIJRHRKUUPSNE-UHFFFAOYSA-N 436.533 5.302 30 40 IKEB Clc1ccccc1COc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 408722544 JZSLNLIZYMMOQF-JFLMPSFJSA-N 430.960 6.892 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OCC 408912925 OQXKIBXKUQBWRF-OQNHBUHUSA-N 438.593 6.195 30 40 IKEB CCOC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(C)n2)cc1 409116047 LIZBMZVDRSXHGR-QRVIBDJDSA-N 436.493 5.080 30 40 IKEB COc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 409185577 MSZJPBNNTMTGIK-RPUKTSEFSA-N 433.939 5.116 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/c2ccccc2C)c1 409200854 JRJWQRKPBTXLRX-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB COc1ccc(Br)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409297737 MGUCWYJGRZHQNU-UHFFFAOYSA-N 440.341 5.098 30 40 IKEB CCOc1ccc(-n2cccc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409407246 SVLXHMJUKHBOOY-UHFFFAOYSA-N 434.499 5.135 30 40 IKEB COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1O 815826 MMOUQZPPZBBYDD-UZTOHYMASA-N 426.516 5.689 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c1 2451219 WXRZJEQIJYBMNA-PXNMLYILSA-N 442.846 5.268 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 3664882 CWPKVJRKDYJFFN-MUDYCTQHSA-N 433.382 7.879 30 40 IKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2cc3ccccc3oc2=O)cs1 8432764 PMVJDQLSLSKLIK-NUGSKGIGSA-N 446.315 5.678 30 40 IKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 9196483 RXAZQNMDKSAMAV-KIBLKLHPSA-N 441.189 6.831 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 9480224 VXFFBEAWRRNHIE-UHFFFAOYSA-N 434.609 5.776 30 40 IKEB CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 9678759 VUZDVWRSUQXVCN-PZGXJGMVSA-N 438.571 6.763 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 14152455 RUBVSUBYXVAIGV-UHFFFAOYSA-N 448.857 5.418 30 40 IKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)o1 17101274 YDKFHCFIVGDXJR-UHFFFAOYSA-N 437.451 6.312 30 40 IKEB Cc1ccc(Sc2ccc(/C=N\Nc3ccc(Cl)c(C(=O)O)c3)cc2[N+](=O)[O-])cc1 32124607 FHNWVOVDFPACJR-FMCGGJTJSA-N 441.896 5.852 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 35155577 VXRKAEJOVJUQQA-UYRXBGFRSA-N 440.977 6.538 30 40 IKEB CN(CC#CC[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 57234784 YHYCFPHOWSVNKM-HKBQPEDESA-N 431.579 6.115 30 40 IKEB CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc23)C[C@H](c2ccccc2)CC1=O 100140137 WVLDWJLUIFFIDW-FQEVSTJZSA-N 444.575 5.387 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1cccc(Br)c1)C2=O 118916223 OMJIZRMQBBHMOY-GYIWABLXSA-N 441.453 7.444 30 40 IKEB biogenic C=CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1C(F)(F)F 225955330 XCDPNYTXDSHXKG-UHFFFAOYSA-N 437.461 5.946 30 40 IKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408707411 AINGEKGFHJXPPA-UHFFFAOYSA-N 434.930 6.334 30 40 IKEB Cc1sc(/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C#N)c1C 408814064 RCHHFFJKSYGCKZ-LUOAPIJWSA-N 438.383 7.297 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 409200987 KVQCECVRRLNMJZ-UVHMKAGCSA-N 432.322 7.169 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1O[C@H](C)CC 409208950 AYSBCHOBMUZNKF-BIXPMSEDSA-N 439.021 6.005 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1Br 409369252 JBZYCVJTBFBZSM-RGVLZGJSSA-N 430.301 5.722 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(C)c(C)c2)[C@H](C)O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)O 2037875024 JGQYSZAHVYUGTE-XXPWESIGSA-N 446.946 6.385 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)c2C#N)C1 1771062 BIZJNXZVDYTJMX-OAHLLOKOSA-N 428.513 5.062 30 40 IKEB Cc1ccccc1/C=C1\Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc2C1=O 2409594 UOAIKUXVCOWSMO-IMRQLAEWSA-N 447.490 6.948 30 40 IKEB COc1ccc(C(=O)/C=C/Nc2cccn3c(-c4ccc(Cl)c(Cl)c4)cnc23)cc1 8782002 GAJMCBGUOCFKJN-ZHACJKMWSA-N 438.314 6.125 30 40 IKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cn(C(C)C)c2ccccc12 9290595 QCYRSFVEPLGPDJ-WKULSOCRSA-N 434.547 6.212 30 40 IKEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 9731771 PADYTMQKGGZNIK-QHCPKHFHSA-N 444.535 5.011 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 12689195 HBKUQAPSXBYYDG-INIZCTEOSA-N 431.300 5.233 30 40 IKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)c1 13898855 MLEUBUKHUXEAOM-AFDPEFSASA-N 442.346 7.868 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C#N)C1 14273301 NQKPBUZATPMHHV-HNNXBMFYSA-N 449.532 6.191 30 40 IKEB Cc1ccc(/N=C2\SCC(C)(C)N2C(=O)/C=C/c2c(Cl)nc3sccn23)c(C)c1 15979257 LWTUKQQBTRGLFZ-VEOJBSCPSA-N 445.013 5.721 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C 33793036 VZTJACYZBNPUGY-MRXNPFEDSA-N 426.973 5.209 30 40 IKEB N#CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 44087870 WQOBGTBLAUDJTC-UHFFFAOYSA-N 438.272 5.936 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2Cl)cc1C 44858937 AZLORJPHXQEAOE-HSZRJFAPSA-N 446.938 5.428 30 40 IKEB CC(=O)Nc1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 100070216 NNVMAYZWZAXUFV-VULFUBBASA-N 448.931 6.483 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC(=O)C(O)=C1O 100634116 LITUBCVUXPBCGA-AUSIDOKSSA-N 442.593 5.405 30 40 IKEB endogenous,in-man CCCCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)c1ccccc1 100931339 WTNYAUGULCTJCC-UHFFFAOYSA-N 435.652 8.337 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(OC)c(OC)c2)cc1 101662331 IHKZVALHEDMESF-XLNRJJMWSA-N 437.536 5.788 30 40 IKEB O=C1C2=C(N=C3C[C@H](c4ccccc4)CC(O)=C3[C@H]2c2ccc(Cl)cc2)c2ccccc21 104155754 JZRVPEZFYKMXSK-MHECFPHRSA-N 437.926 6.876 30 40 IKEB C=C1S/C(=N/c2cccc(OC)c2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 104207180 OVCNAICVLOTKNV-RELWKKBWSA-N 436.368 5.645 30 40 IKEB C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OCC)c1OCc1ccc(C)cc1 408596309 RHBIQLDCCCCNGF-UXHLAJHPSA-N 440.543 6.124 30 40 IKEB N#Cc1c(/N=C/c2c3ccccc3cc3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 408723307 QJDNAZRRJNRAGN-KEIPNQJHSA-N 448.525 8.542 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3ccc4ccccc4n3)cc2)c([N+](=O)[O-])c1 408739055 SETIBXWXOUXLBG-OEAKJJBVSA-N 429.392 5.290 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)S2)cc1 408754320 QETNLZAJZWFHOZ-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)S2)cc1 408817690 YGLCRRUMEFSSSE-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1 408914254 UDPRRCUQWTUNBU-WEOUEGTISA-N 442.584 6.240 30 40 IKEB CC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1 409088021 DOXGNUBDHIAFHJ-HUZSXYRPSA-N 430.573 6.984 30 40 IKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C)cc1 409215455 ZEAFHNNADCDWOT-TWKHWXDSSA-N 437.539 7.516 30 40 IKEB N#Cc1c(/N=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)sc2c1CCCC2 409386939 HTRZTOJBSJPZAQ-HPNDGRJYSA-N 431.948 5.820 30 40 IKEB CCOc1ccc(Br)cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385624 WRSPHQMTXVDRAM-MFKUBSTISA-N 448.320 5.107 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cc(Cl)cc2c1OCOC2 718333 ABUMMQZPAAXTEC-DEOSSOPVSA-N 445.946 6.560 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccc(O)cc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 805321 ZWONKGKGRLMVDS-RWPZCVJISA-N 440.455 5.664 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1 980391 SGHLRBWIKNDLHE-PFMNSIPKSA-N 429.545 5.684 30 40 IKEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)/C=C/c1cc(Cl)cc(Cl)c1OC 2065378 XZWYIFJCMITUSW-GGWOSOGESA-N 432.130 6.613 30 40 IKEB CN(C)c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1 2832095 LTPFCLBRAINGDI-RWRHWQIFSA-N 446.598 6.987 30 40 IKEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1 8670709 AMFHUDPQIPHXIT-SRZZPIQSSA-N 438.241 5.007 30 40 IKEB CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N/CCc3ccc(O)cc3)ccc12 9943212 ZPQOBGWASMVGFS-WYMPLXKRSA-N 444.940 5.057 30 40 IKEB CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccc(F)cc1 12416808 ZJMBHJBTIBZBMZ-UHFFFAOYSA-N 436.371 5.566 30 40 IKEB CCOC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2cccc(Cl)c2)cc1 12524130 SEJMMIXXQRFJRX-HPNDGRJYSA-N 433.895 5.516 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCC[C@H](c4ccc(C)cc4)c4ccco4)[C@H]3C[C@@H]12 12864013 NWVOLYRDQMXQQP-BFEVCABUSA-N 447.619 6.014 30 40 IKEB biogenic Cc1ccc(C(=O)O/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 12954472 OJNGGVRXAYTXBP-JFLMPSFJSA-N 446.959 6.680 30 40 IKEB COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 13072470 GGDNSPPZWFAFMK-JLHYYAGUSA-N 441.310 6.255 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c(OC)c1OC 13654424 NIFKPOIFZVZXBG-IRDHKZPBSA-N 444.483 5.421 30 40 IKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 15911969 LPROPTXJOKMABJ-QHCPKHFHSA-N 432.907 5.430 30 40 IKEB CC(C)CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccs1 17113159 MGQLKWGCENGDDV-KRWDZBQOSA-N 429.611 5.170 30 40 IKEB CS/C(=N/C(=O)c1ccccc1)SCCS/C(=N\C(=O)c1ccccc1)SC 18008030 JIGNBDBBGJSZTO-WRBBJXAJSA-N 448.660 5.572 30 40 IKEB Clc1ccc(/C=N/CCCCCC/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl 18038353 PKMQIKOITVWFIY-BKHCZYBLSA-N 430.206 7.399 30 40 IKEB CCOc1ccc(C(=O)/C(=C\c2ccc(O)c(OC)c2)c2nc3ccccc3s2)cc1 27018268 USEKHNLHXVKRKA-XMHGGMMESA-N 431.513 5.833 30 40 IKEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)c1 59435733 MHJNUYSOGUKYMU-PDGQHHTCSA-N 444.314 5.435 30 40 IKEB O=C(Nc1ccc(Cl)cc1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 98001583 KXIPHUDICGRBFF-MRVPVSSYSA-N 439.608 5.314 30 40 IKEB CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1 103710874 NLFNSWMTPUMXMU-AERNQAQFSA-N 443.601 5.400 30 40 IKEB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/OCc1cccc([N+](=O)[O-])c1 408591781 KMPSUYDSTJABFD-LQKURTRISA-N 437.455 5.749 30 40 IKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2O)C2=C1CC(C)(C)CC2=O 409045935 QDCHIEXCZZMKNW-UHFFFAOYSA-N 427.972 5.751 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3)cc2Br)cc1 409208660 DNLMQVMTZBKPET-HYARGMPZSA-N 430.323 5.276 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)cc2)S/C1=N/c1ccc(F)cc1 409244672 HCGWSBCJHJTUBW-CWFNPDHMSA-N 434.561 6.601 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)S1 409244716 HTWMHUBYALDDOX-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1 585295082 ZKAMLLNXPPJZCI-DEOSSOPVSA-N 440.551 5.145 30 40 IKEB CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603691875 WGXLASBXYIMPTN-UHFFFAOYSA-N 426.398 5.428 30 40 IKEB COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 709524 GCVGKBWXCHEOJV-CLYVBNDRSA-N 426.516 5.683 30 40 IKEB CC1(C)Cc2c(sc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)c2C#N)CO1 751908 FLGUZZODZIZBHP-UHFFFAOYSA-N 430.573 5.511 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@@H]2c1ccccc1 2211327 RHPPHEKNEIPSSG-HXUWFJFHSA-N 440.478 5.098 30 40 IKEB Cc1cccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3)nc12 3115311 HJPCHVIBVAWJNF-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1cccc(C(F)(F)F)c1 3346577 YAIJBDAMUKBCGT-UHFFFAOYSA-N 433.499 5.917 30 40 IKEB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/N=C(c1ccccc1)c1ccccc1 3369333 XOVSIZYNINAREA-JVWAILMASA-N 433.342 6.359 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 4082884 FVWJYYTZTCVBKE-MEBXIWODSA-N 442.728 6.997 30 40 IKEB biogenic,in-vitro Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 5570539 ILVTYODCIRQXFS-XMMPIXPASA-N 426.564 5.447 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21 8993597 WVPREXVVWJCVTA-ZMOGYAJESA-N 443.886 6.150 30 40 IKEB CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 9380392 SNKHLBGAXQLCIW-JOCHJYFZSA-N 432.907 5.189 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCC[C@H](c4ccc(C)cc4)c4ccco4)[C@H]3C[C@@H]12 12863999 NWVOLYRDQMXQQP-CKXLZMCVSA-N 447.619 6.014 30 40 IKEB biogenic O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/C(Br)=C/c1ccccc1 13306024 HGYLTINOWWQHLB-HNWBASRHSA-N 430.305 5.333 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3c(CC)cccc3CC)cc2-c2ccccc2S1(=O)=O 33271933 BORBMSNNQMZAPS-UHFFFAOYSA-N 446.572 5.425 30 40 IKEB CCN(CC)c1ccc(/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 59250173 ZJOKADFAHMAVNY-WPWMEQJKSA-N 432.520 5.569 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 59500684 KZEWXKWLDCAKPV-VULFUBBASA-N 435.932 6.842 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@H](COCOC)OC(C)=O 95612023 JOSCSIUPYUMNLZ-MVUKWZHESA-N 430.626 5.785 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4cccs4)[C@H]3c3ccccc3)sc2c1 102733514 GRWWAAGOCUTIDK-YDJIHCHBSA-N 446.553 5.547 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 118917024 FHIHDASURXFVSB-IGBZQXCHSA-N 444.585 7.913 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Oc4ccccc4)cc3)cc2)cc1 408803930 UWWBGWMPHRTUEB-CEUNXORHSA-N 436.511 6.555 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1c(C)cc(C)cc1C 408979941 OTBQSRXPBXAZDA-UHFFFAOYSA-N 427.548 5.594 30 40 IKEB Brc1cccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c1 409021147 YIAWNORWTMDRAY-WPWMEQJKSA-N 441.328 7.404 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 409199265 AYFCDUMTESLVDC-ZXVVBBHZSA-N 443.524 6.306 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c(C)c1 409215512 AFJGXWSEDHCGGE-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 409237121 JETQIKUAZYPMDY-YBFXNURJSA-N 438.892 5.498 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 977382 FFBCYWJTOBHJQY-HUOZHCEOSA-N 432.545 5.349 30 40 IKEB Clc1ccc(/C=N\N2CCN(/N=C\c3ccc(Cl)c(Cl)c3)CC2)cc1Cl 4990728 WALVIZGMSHJSLH-CBSQCECLSA-N 430.166 5.286 30 40 IKEB N#CCCn1cc(/C=C/C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c2ccccc21 9711871 NWRWOYNTZGUVHM-YAOQVBECSA-N 440.572 5.932 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@H]2c1sccc1C 12463224 MVOLPQKOUHRUSD-NHCUHLMSSA-N 432.545 5.204 30 40 IKEB COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)ccc1O 14945031 JKLRFBUYGVZHII-WINIVTDRSA-N 448.522 5.907 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 33393501 VYZPLGKOQVMIRJ-WPWMEQJKSA-N 437.524 5.998 30 40 IKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 58268850 DKGTVWRGOBECOD-WPWMEQJKSA-N 429.955 6.242 30 40 IKEB CCCCN(CC#CC[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1)CCCC 96194507 NEDPZSJQOWFLKW-WJOKGBTCSA-N 439.643 6.885 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(C)c(C)c3)c2-c2ccccc2)cc1 97020875 OODUHXMMNGXGIV-STKMKYKTSA-N 440.590 8.487 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Br)cn1 100283915 FAKPBBSAFPWERE-UHFFFAOYSA-N 439.482 8.044 30 40 IKEB Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O 101650395 XNTFTYOLBWDIFT-CULCSUMMSA-N 440.327 5.031 30 40 IKEB CCCCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(Br)cc2)cc1 101662579 FDYPIUINGOIYCH-PGMHBOJBSA-N 442.353 6.143 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 105606098 PHQZRCYWTBDRKQ-PYCFMQQDSA-N 436.577 5.257 30 40 IKEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224630273 RZZCGYPEXNOMBV-UHFFFAOYSA-N 430.353 5.171 30 40 IKEB Cc1c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1C 408863399 RTGAXBLSSKVTED-KAGQULTBSA-N 443.616 6.669 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N2C)cc1 408906449 BNWUZQARSZTALB-DSEZMCGYSA-N 443.355 6.796 30 40 IKEB C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC 409070421 ZHGCBSDAUPKDCC-UHFFFAOYSA-N 447.575 5.422 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 409078903 DWKSQTVJPMIVOM-RMORIDSASA-N 441.818 6.457 30 40 IKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)o1 409170721 XFYBKDXSOTZPFL-NHDPSOOVSA-N 444.468 5.061 30 40 IKEB Cc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c(C)n1NC(=O)c1ccccc1 409217413 UKUJVYIXASGBGC-OGLMXYFKSA-N 443.934 6.685 30 40 IKEB O=C1CSC(=S)N1/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409335741 ZDYIOMODBMVHGF-UYOCIXKTSA-N 434.373 5.191 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409352874 ZBRYTLSDHUVBJR-HXUWFJFHSA-N 441.000 5.537 30 40 IKEB Cc1ccc(NC(=O)CO/N=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1 409369546 CRUYSLXVJMFTCC-ZMFRSBBQSA-N 426.875 5.356 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(C(=O)O)ccc1OCC(C)C 585263920 GZLWVWCGNYAQFY-CWYGMBDRSA-N 442.983 6.899 30 40 IKEB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)Sc2ccccc21 1208166 WYCSGKOENFHISE-ZDLGFXPLSA-N 428.263 5.947 30 40 IKEB Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)sc2c1 2740658 FLBNUXFKJHFBST-CYBMUJFWSA-N 443.037 7.200 30 40 IKEB O=C(C1=CN[C@@H](c2nc(-c3cccnc3)cs2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 8694234 ZUCDXCDTCAMUQB-DHIUTWEWSA-N 443.959 6.053 30 40 IKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2c(F)cccc2Cl)C3)cc1 8781988 IQUCGUDURTXEDY-YHAMSUFESA-N 448.925 6.467 30 40 IKEB COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccc(Br)cc2)c1 9031494 IHNXHIQAMLENNP-PKNBQFBNSA-N 443.318 5.635 30 40 IKEB Cc1sc2nc(C)n(/N=C/c3sc(Nc4ccccc4)nc3Cl)c(=O)c2c1C 9587382 AOLDAWKAUQLDAD-ZVBGSRNCSA-N 429.958 5.119 30 40 IKEB COc1ccc(C2=NN([C@@H](C#N)c3ccc(Br)cc3)[C@@H](c3ccccc3)C2)cc1 9933307 NJYDEZOSBWRDCZ-RPWUZVMVSA-N 446.348 5.874 30 40 IKEB Clc1ccc(CO/N=C2\CC3(c4ccccc42)C2CC4CC(C2)CC3C4)c(Cl)c1 12338566 HLOCRCWEKWUMHD-ZZIIXHQDSA-N 426.387 7.012 30 40 IKEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)n1 13059261 SBACXLBZOODOAQ-LJQANCHMSA-N 441.512 5.008 30 40 IKEB Clc1ccc(Sc2oc(/C=N/c3ccc4c(c3)OCO4)cc2Br)cc1 15227481 MGUNXPOXDALTPO-ZVBGSRNCSA-N 436.714 6.326 30 40 IKEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc(Br)cc1 15231470 JOUAWDKRAPQDIH-DEDYPNTBSA-N 449.344 6.249 30 40 IKEB C(=N\N(Cc1ccccc1)CN(Cc1ccccc1)/N=C\c1ccccc1)\c1ccccc1 17424909 SFCSLWUSEWVDOK-XRGQFMHNSA-N 432.571 6.017 30 40 IKEB Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)/C=C\c1ccc2c(c1)OCO2 31852726 HUWFWRBOYDPAPI-KXFIGUGUSA-N 433.316 6.127 30 40 IKEB CCCCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 36611888 PTJXCVUKMLEYAD-DHRITJCHSA-N 446.523 5.651 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(C(=O)OC)cc1 96609628 OBPBUAWGQFZUQD-MDRWVBAWSA-N 435.332 5.404 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)c1c(nn(-c3ccccc3)c1O)N2 100421504 FQNBGXGKYSKSJR-HYBUGGRVSA-N 433.511 5.536 30 40 IKEB O=C(COc1ccc2ccccc2c1)/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21 104061818 WQMFEVZEJFTCCU-AZPGRJICSA-N 427.891 5.056 30 40 IKEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(SC)cc1 224986162 AOURLZNTNFWTHT-UHFFFAOYSA-N 425.575 5.369 30 40 IKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 225780342 QRAZAWBYSWDQTR-OAHLLOKOSA-N 447.362 5.729 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCC(=O)O 409201084 LSJOEXRRWXLSIT-ZVBGSRNCSA-N 426.694 5.024 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)oc(-c2ccco2)c1-c1ccco1 409389112 ZJBGVECPXSKBCM-MZJWZYIUSA-N 438.395 6.380 30 40 IKEB COc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1 1922401 SWOFXPMZCKNEKO-BZCVXYEQSA-N 433.305 6.682 30 40 IKEB CCCCC(=O)O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 3064373 CPIBAZODPLDQCT-XHPQRKPJSA-N 438.833 5.343 30 40 IKEB CCCN(CCC)c1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4043497 BIKKHJCWZKSEQT-XMMPIXPASA-N 438.612 5.480 30 40 IKEB N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 8708330 ZEZDCDHKXDNEGP-UHFFFAOYSA-N 427.529 5.230 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)c1C 8821226 WZBFSXJMNBOHPJ-YBFXNURJSA-N 443.355 6.762 30 40 IKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(Cl)cc3)c2-c2ccccc2)cc1 9934764 MRBNOGILXMKRED-RUMWWMSVSA-N 446.981 8.524 30 40 IKEB COc1ccc(Br)cc1/C=N\n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S 12464320 CGUCMZYRDIPULM-UUYOSTAYSA-N 445.386 5.558 30 40 IKEB COc1cc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 13567792 KVTJAECFRDAAPE-LJQANCHMSA-N 449.547 5.185 30 40 IKEB CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 13570404 WFQNFNYXSFIFKB-QFIPXVFZSA-N 446.934 5.815 30 40 IKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1)c1c(C)cccc1C 15187932 LPDAQFYGEIOTBQ-VAWYXSNFSA-N 444.478 6.359 30 40 IKEB O=C1/C(=C/Nc2ccc(Cl)cc2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 20575778 VGDVAEUDLMEFMW-WQRHYEAKSA-N 448.928 5.027 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 27520700 BZLMOUWVCAOJSG-CIAFOILYSA-N 432.505 5.202 30 40 IKEB CCc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3ccc(F)cc3S2(=O)=O)cc1 32950851 NYCLNETWYSBVEO-UHFFFAOYSA-N 435.520 5.655 30 40 IKEB Cc1sc(N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)nc1-c1ccccc1 59193846 RSAVFEKJTAULBY-RDRPBHBLSA-N 449.579 7.297 30 40 IKEB FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CSCc1ccccc1 103623612 JKXWXGUNHODGIP-UHFFFAOYSA-N 438.277 6.361 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223579350 NHNNEHIDLKDWHV-FKOVGQMLSA-N 433.621 6.341 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226341307 OCOMNJANISKPLB-BQYQJAHWSA-N 442.136 6.077 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253617262 PMBSWZWCNKVWLV-IFWYKKNTSA-N 442.684 7.139 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N[C@@H](C)c1ccccc1 408560220 FGPQHKYWYCFWDZ-IBGZPJMESA-N 442.588 5.178 30 40 IKEB COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc(C)cc([N+](=O)[O-])c3C)o2)S1 408720862 GENKTUWDNATMQI-MTJSOVHGSA-N 449.488 5.372 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)S2)cc1 408759941 OOXOIIJWRYFBOX-BKUYFWCQSA-N 432.501 5.407 30 40 IKEB Clc1ccccc1Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 408931677 OTVVQRXFMWMJAC-OGLMXYFKSA-N 429.951 5.930 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c1C 408963851 BAFXBDORTSEOLX-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3C#N)S2)cc1 408966550 PBWURYHTNDJUHD-OEAKJJBVSA-N 441.512 5.037 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c(OC)c1 408969319 LQLOPQGEPFUQOX-WPWMEQJKSA-N 448.588 6.427 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408976819 SLSCZZYNJNTBSX-AFUMVMLFSA-N 444.516 6.154 30 40 IKEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCc2ccccc2C#N)=N1 408992164 SDZLNEXKLFTQHQ-DEOSSOPVSA-N 438.556 5.405 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409078505 IKUXOSMKJDNQEU-HRJIBFCWSA-N 426.585 6.687 30 40 IKEB CCOc1cc(C)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1C(C)C 409293408 ICIYUTPCAVGHQQ-UHFFFAOYSA-N 442.357 5.180 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409386661 WFZULUKCIJNNNX-BRJLIKDPSA-N 426.969 6.445 30 40 IKEB CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2[C@H]1c1ccc(Cl)cc1 658609 YNENGFDBOHXUCG-SFHVURJKSA-N 440.927 5.774 30 40 IKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 707154 RYIPGNDNIOHWRE-XMMPIXPASA-N 433.935 6.517 30 40 IKEB Oc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2s1 3084361 VLORKKPPTZPXJW-OGLMXYFKSA-N 436.536 6.999 30 40 IKEB CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 4067281 OUFAUOJWDOVOML-VWLOTQADSA-N 445.559 5.221 30 40 IKEB Cc1ccc(Sc2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1 8855339 RNXAVYFUIGQJQB-FOKLQQMPSA-N 448.400 6.713 30 40 IKEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c2[C@H]1c1ccco1 9253352 IIRCAJHZFIRMFP-KRWDZBQOSA-N 441.274 5.078 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c1 9259643 QSGOHGPMMNYVBS-MTJSOVHGSA-N 433.489 5.672 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 9272893 BFUIAKWTQHXSHY-QHCPKHFHSA-N 431.919 6.246 30 40 IKEB CCCn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2ccc(C(F)(F)F)cc21 12520213 CVLCXEYQWASSSI-YJYMSZOUSA-N 426.508 5.000 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 18140180 XAEITZFOJLNUGH-LJQANCHMSA-N 447.903 5.128 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccc(Br)cc2)cc1 100139965 CPVPUQOQDUTXIY-HYARGMPZSA-N 429.339 5.309 30 40 IKEB CCOc1ccc(CC(=O)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1OCC 100147583 QMBPVCIELMAIIZ-UHFFFAOYSA-N 435.564 5.029 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F 408811337 LCFJBUVTWWHJDE-JLPGSUDCSA-N 445.515 6.374 30 40 IKEB COc1ccccc1/C(C)=N/Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1 408978431 ZVWVUQBUCWLJOD-TURZUDJPSA-N 427.573 6.939 30 40 IKEB CC(C)COc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409034771 OJRDZOJDDBYHAH-TXNBCWFRSA-N 439.169 5.198 30 40 IKEB COc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1Cl 409065426 SBUJWWZMIRBXEO-SSDVNMTOSA-N 443.847 5.019 30 40 IKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 409181127 XCZCVTSTZYHMFU-UHFFFAOYSA-N 429.539 5.489 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409208210 AJHOFALBIWJTIA-AFUMVMLFSA-N 443.952 5.792 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 409215171 XUZBLZFSWWWVOZ-BRJLIKDPSA-N 429.303 6.848 30 40 IKEB C=CCc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(OCC)c1OC 409282054 FXNFVDPTCYDONX-UHFFFAOYSA-N 445.563 5.462 30 40 IKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 3195760 IBGIWYVQVOTBTG-UHFFFAOYSA-N 448.346 6.311 30 40 IKEB COc1cc2c(cc1OC)[C@@H](C1=C(O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 4713235 VZZLAMBMWPLSFB-NRFANRHFSA-N 426.509 5.024 30 40 IKEB COc1ccc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)cc1 8876343 PWWYPAHTCBJJEM-OAQYLSRUSA-N 445.559 5.352 30 40 IKEB biogenic C=CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 9095138 CUNYULOBYNDRQS-WINIVTDRSA-N 449.554 5.379 30 40 IKEB COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)C1CCCCC1 9264185 GDZACYRSGQJUCA-SANMLTNESA-N 430.548 5.782 30 40 IKEB COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 9356897 KIUQVNXXFIFBTF-JOCHJYFZSA-N 433.891 5.440 30 40 IKEB COc1cccc(C(=O)Nc2ccc([S@@](=O)c3cccc(C(F)(F)F)c3)c(C#N)c2)c1 12952871 KHXADZLRNWOGED-WJOKGBTCSA-N 444.434 5.005 30 40 IKEB CCOC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N 16805582 QXVQUTAOHCJBPQ-UHFFFAOYSA-N 445.260 5.057 30 40 IKEB C=CCn1c(COc2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(Cl)cc1 32604818 MZLGUCQSCPGSLF-UHFFFAOYSA-N 440.783 6.296 30 40 IKEB Cn1c(=O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(-c2ccccc2)c2ccc(Cl)cc21 79047283 HCDLWPXFBBMRHO-YRNVUSSQSA-N 443.886 5.484 30 40 IKEB CCCCCCCCCCCCCCCCn1cc([C@H](O)CN(C)C)c2ccccc21 95763103 RYGFJZXKJORPHO-MUUNZHRXSA-N 428.705 7.718 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)cc1OC 107852634 OXYIXBYHZGPJBW-VCRXTVNUSA-N 430.957 5.726 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 118916156 ANTLLZHQDMIOLB-GBVJIBPHSA-N 447.446 6.959 30 40 IKEB C=CCO/N=C(\CCC)[C@@H]1/C(=N\OCC)C[C@@H](C[C@@H](C)SCC)C/C1=N\OCC 257345406 MSKXSYDVWIKAML-WKPHINFKSA-N 425.639 5.688 30 40 IKEB CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cc(Br)ccc2O)cc1 408719371 CZBVKXZOXSTPKW-ZVHZXABRSA-N 435.325 5.286 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)c1 408964594 CWGILAAPNFMPDQ-JCMHNJIXSA-N 445.544 5.162 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C#N)C1 409078703 HXPSVQBNYXJUMF-LNIIIOKPSA-N 436.581 6.030 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409201544 MGBIPNDAJYIZRL-ZVHZXABRSA-N 435.436 6.061 30 40 IKEB Cc1cccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1C 409208966 BEUJKUAYCKZXDE-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(N2CCCCC2)cc1F 409408182 WTTULEPWXSGCGF-UHFFFAOYSA-N 426.495 5.075 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)cc(C)cc1C 1531337299 VOQHUXLBCXOYPK-ZMOGYAJESA-N 426.358 5.309 30 40 IKEB Cc1ccc(OCCCn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)cc1 1866422 LMXRLTCMULQZCL-WPWMEQJKSA-N 440.572 6.475 30 40 IKEB O=C(/N=C1/N=C/C(=N\Nc2cccc(C(F)(F)F)c2)S1)c1ccc(Cl)cc1Cl 3197046 ORKVDDSDMFJVNT-RCJTYQTDSA-N 445.253 5.752 30 40 IKEB CCc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4349871 BCHULALFBLLPAM-VWLOTQADSA-N 428.576 5.800 30 40 IKEB CCOC(=O)c1ccccc1CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 6089621 SVGFQZFJJCUHQZ-UHFFFAOYSA-N 442.462 6.108 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@@](=O)Cc1ccc(Cl)cc1 9130777 LKSDEUWISFYTBY-GDLZYMKVSA-N 434.973 6.310 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 9264619 PFHVPONELDKSGE-HXNPFYCNSA-N 427.573 5.865 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N\c3cc(Cl)ccc3OC)NC2=O)cc(OCC)c1O 17299716 RXUJJYLQCCASHP-ODLFYWEKSA-N 444.940 5.073 30 40 IKEB CCOC(=O)c1c(C)[nH]c(/C=C\C(=O)c2ccc(F)cc2)c1Cc1cccc(Cl)c1 26786610 KXLRDVMCMVELGY-QXMHVHEDSA-N 425.887 5.779 30 40 IKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1Br 32100512 QRGXBBJQFMLLSJ-CSKARUKUSA-N 429.539 6.064 30 40 IKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O 34112425 GAKVNINHIOJQFK-HFWLGXHLSA-N 442.477 6.410 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1C 59484378 HZXTURABEAAKGO-YWROOUKNSA-N 429.501 6.020 30 40 IKEB FC(F)(Cl)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)C(Cl)(Cl)Cl 95682118 ZUBPFQXYAINABF-JCYAYHJZSA-N 436.768 6.268 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)sc1C 102865137 QFQZHKKLTOPBNJ-UYTDBDHRSA-N 430.938 5.101 30 40 IKEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@H](F)C[C@]12C 118933264 JEEUJGVJTLVJQM-MUVPWNSGSA-N 439.365 5.082 30 40 IKEB CCCCOC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 169795770 NBULOPMCOHMTPM-UHFFFAOYSA-N 432.201 5.381 30 40 IKEB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2OCC#N)C1=O 408805498 KTPHKVGPVFQCBO-HUYCDOSRSA-N 432.569 5.643 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 408912652 OIYLFMPADNFOMN-VJMWJZBHSA-N 430.957 5.765 30 40 IKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC 408943434 SEZAGBIDIJUIIV-JAPQFDORSA-N 448.566 6.593 30 40 IKEB Cc1cc(I)ccc1/N=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1 408960560 GWWWDQNCLYQTDH-JJFYIABZSA-N 445.256 5.617 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)S1 408961901 VJLONHLVZUWGSA-HMAPJEAMSA-N 444.512 5.164 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c1C 408962500 YPLUKYJLWLJVSF-IWIPYMOSSA-N 443.616 6.473 30 40 IKEB CCOc1ccc2nc(Sc3ccc(C=C4C(=O)c5ccccc5C4=O)o3)sc2c1 408987135 ALWWFGWZYUWYDZ-UHFFFAOYSA-N 433.510 5.902 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(F)c1 409095237 HCKDSZGWFVMLHV-KVSWJAHQSA-N 433.405 5.663 30 40 IKEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 409121883 YXSMAMOFLWBJKZ-DHRITJCHSA-N 440.887 5.375 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)CCC[C@H]43)C2)cc1 2049238297 DJKUHJBPRWSFHW-RGCGGYLDSA-N 430.654 6.502 30 40 IKEB Cc1ccc2occ([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccccc3)C4)c(=O)c2c1 883189 WJFKHABEGSLKLN-HMILPKGGSA-N 448.522 6.081 30 40 IKEB biogenic N#Cc1ncc(C(F)(F)F)cc1Sc1ccc(NC(=O)c2ccccc2Cl)cc1 1388040 VSHHPGRUNDJEHW-UHFFFAOYSA-N 433.842 6.029 30 40 IKEB CCCCCCOc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1OC 1783303 YCZLZPMPYMUWSI-BUVRLJJBSA-N 444.988 5.737 30 40 IKEB O=C(C[N+]12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 1831268 TUJIQZRVPNYQGV-UHFFFAOYSA-N 439.535 5.520 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC 2092573 LRUUZPFPIVDIFJ-LMTJQJACSA-N 444.556 6.129 30 40 IKEB C=CCSc1nnc2n(Cc3ccccc3)c(=O)c3c(n12)-c1ccccc1C[C@]3(C)CC 2375513 QYMZBLJVEQHERN-SANMLTNESA-N 442.588 5.108 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccc(F)cc1 4105619 ZUGRIJCPIJANTG-NPGCFZLRSA-N 447.560 6.313 30 40 IKEB Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3cc(C)ccc3C)c3ccccc3C2=O)cc1 8439130 ZFRALANELFGRLF-XTCLZLMSSA-N 447.581 5.662 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)c(C)c1 8820787 NQIZKYKTMCHTCX-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c1 9845857 IUIVQQLUBNBMEZ-ODLFYWEKSA-N 443.355 6.762 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(Cl)ccc1N[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 12856892 PYHDSFIVPNGLHK-FQEVSTJZSA-N 432.307 6.124 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1Cl 13841989 DYSZZGMSIJFSAC-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB CCc1ccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 32984367 XZQYERKAMQHPME-UHFFFAOYSA-N 437.492 5.046 30 40 IKEB Cc1ccc2cc(C#N)c(NCCCNC(=O)Nc3ccccc3C(F)(F)F)nc2c1 35313185 CRFVFMMXMGEINY-UHFFFAOYSA-N 427.430 5.057 30 40 IKEB C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccc(Cl)cc1 35396394 ZWNDSYCYJMHHHR-UHFFFAOYSA-N 435.980 6.450 30 40 IKEB Cc1sc(N/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)nc1-c1ccccc1 59193884 IDWIZLZKVBNJSP-LFVJCYFKSA-N 449.557 5.332 30 40 IKEB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 87493020 FFKIQLXJMQUBQZ-PCZQUQHRSA-N 426.685 6.980 30 40 IKEB in-man CCCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 97964949 MUPAGQNIADXBRY-BRDBGPSPSA-N 447.608 6.074 30 40 IKEB O=C1/C(=N/Nc2cccc(Cl)c2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 100327069 GAQPMPZOZPUXJZ-LHLOQNFPSA-N 430.722 6.010 30 40 IKEB C=CCN(c1ccc(C(=O)N[C@@H](CC)c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 224378483 OTHRMXHJXVUULY-VWLOTQADSA-N 448.588 5.257 30 40 IKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cc(Cl)ccc1Cl 408591896 VXZLXOYFCSDJDY-LSHDLFTRSA-N 448.266 5.663 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc(OC)cc3OC)sc2-c2ccccc2)cc1 408723044 PTFPQLJEPZXYGM-WGOQTCKBSA-N 430.529 6.254 30 40 IKEB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCc1ccccc1C#N 408733849 BDIQBRBANMJIHE-UHFFFAOYSA-N 443.528 5.402 30 40 IKEB CCOc1cc(/C=N\Nc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 408857845 MVKQODGODYDYOK-QFEZKATASA-N 443.316 6.012 30 40 IKEB CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl 409055375 IECBBIGNHPULOO-UHFFFAOYSA-N 434.363 5.825 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1cccc(Cl)c1 409120705 VUSRAAMTQGYMIT-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409215262 WHQOTFDACKNTOT-KBKYJPHKSA-N 448.733 6.983 30 40 IKEB COc1cccc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1O[C@@H](C)C(=O)O 409248802 QWDOHUHRNHPTQS-CAUYNWHBSA-N 425.868 5.743 30 40 IKEB CCOc1c(Cl)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531383073 AGRPROCPGRESJU-VULFUBBASA-N 438.314 5.651 30 40 IKEB COc1cc(Br)cc(/C=N/c2cccc(-c3nc4c(C)cccc4o3)c2)c1O 1425036 VXZRHBLPJIPNFT-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB CCCCCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 1769336 LERXWLIUWBKEHR-WYMLVPIESA-N 438.593 6.118 30 40 IKEB CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(OCC)c1OCC 2739065 MLGUVBBCZOZULH-UHFFFAOYSA-N 428.554 5.337 30 40 IKEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1C#N 6177741 BKULBSWPTLFSIR-OCSSWDANSA-N 449.558 5.929 30 40 IKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)c1 8820817 QCPDXYIXSRCUDP-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccccc1 9264281 IXTIJJBSFVIQTD-NIYFSFCBSA-N 441.531 5.773 30 40 IKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 9272655 YDWVGSNUCAPGQA-BKHCZYBLSA-N 437.334 5.435 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C#N)C1 9553778 YTFOFHPHFLKROS-ZDUSSCGKSA-N 429.586 5.427 30 40 IKEB COc1ccc(CO/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 12952076 FYNXQFFDOCMWND-JFLMPSFJSA-N 448.975 6.740 30 40 IKEB COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)ccc1O 14945035 JKLRFBUYGVZHII-PPHZAIPVSA-N 448.522 5.907 30 40 IKEB Cc1ccc2c(c1)/C(=N/Nc1ncnc3sc4c(c13)CCCC4)C[C@H](c1ccccc1)O2 16348139 XTDFSYOBMUEUFA-FSLDEXMDSA-N 440.572 6.219 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2c[nH]c3ccccc23)cc1 19641165 GYCLRVDCSWEASW-VKGTZQKMSA-N 444.538 6.242 30 40 IKEB CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3cccc(c23)C1=O 98001433 XJTZVCNDQKHKRJ-UHFFFAOYSA-N 449.679 8.697 30 40 IKEB CCc1ccc(/N=C2/S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 100298208 APVAUAKEHDSZPH-JMCHZZBBSA-N 442.584 6.370 30 40 IKEB CC1(C)CC(=O)C(C(=S)Nc2ccc(Cl)cc2Cl)=C(NCc2ccccc2)C1 100430240 BGMKMKGJZSQBNF-UHFFFAOYSA-N 433.404 6.166 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 100867422 FWTXLNDFQLJULY-SVBPBHIXSA-N 433.677 6.548 30 40 IKEB Cc1cccc(NC2=C/C(=N/S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1 103321585 BBXRIIAIOYPUKD-QLYXXIJNSA-N 436.920 5.019 30 40 IKEB Clc1ccc(/C=N\CCCCCC/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl 104063631 PKMQIKOITVWFIY-KGRJIBJCSA-N 430.206 7.399 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1cccnc1 408779324 VCZMCVUXGAUHTP-OCKHKDLRSA-N 443.359 5.688 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S/C1=N\c1ccc(C)cc1 408913394 UARPPXNALPZAKA-DNLCFCFBSA-N 444.398 5.447 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccccc4F)cc3)c2C#N)C1 409087436 CMWDKSZHDAQTDU-OSGIAPPUSA-N 446.591 7.239 30 40 IKEB N#CCc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1 409167464 MABJTHTVJFJWHY-DHYWSWINSA-N 433.555 6.301 30 40 IKEB CCN(CC)c1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409187385 PTSBOGSTMQKFQW-WPWMEQJKSA-N 432.520 5.569 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409217115 RWMQWACYGPFISX-VULFUBBASA-N 438.911 6.593 30 40 IKEB Cc1cccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)c1 1429562 QTVPNSUSRZFCHD-LJQANCHMSA-N 444.600 5.971 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)cc1 2066840 LEWAGCDJPBWOJU-QHCPKHFHSA-N 425.569 5.423 30 40 IKEB C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)c1ccccc1 2181384 CUNJYZJOJJYKJT-JOBSNELWSA-N 449.576 6.156 30 40 IKEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc23)C1=O 2352181 HUHMPQIMRFPRLA-VDFJPTLYSA-N 447.560 5.101 30 40 IKEB O=C(Nc1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(F)c1 3082698 NUMXVEZCWGSGCP-UHFFFAOYSA-N 445.281 5.628 30 40 IKEB CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c1C#N 3105325 MDVXTDFMZWUFPC-UHFFFAOYSA-N 435.763 6.117 30 40 IKEB N=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)SCc1ccc(Cl)cc1 8446368 QDLCINIVFFODFR-YYADALCUSA-N 434.952 5.049 30 40 IKEB Clc1ccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)cc1 9196042 WVTFNFXDEBFFHT-KKMKTNMSSA-N 442.777 6.774 30 40 IKEB Cc1ccc(N/C(S)=C(/C(=O)c2ccc(OC(F)F)cc2)[n+]2ccccc2)c(C)c1 9403312 SYOURXJIJQDWAI-UHFFFAOYSA-O 427.496 5.243 30 40 IKEB COc1cc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)cc(OC)c1OC 11869120 XOYQHHBRTNBRKN-JJFYIABZSA-N 432.472 5.216 30 40 IKEB biogenic N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1Sc1ccc(C=O)cc1[N+](=O)[O-] 13574434 VLIYPCSEVDCHET-UHFFFAOYSA-N 435.408 5.572 30 40 IKEB CC[C@H]1CC/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3c(C)ccc(C)c3c21 17991544 ZASYPLFQBLFUIG-QBTWCYAOSA-N 432.480 6.377 30 40 IKEB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccccc2F)cc1 19855688 QZAXLWSQFQKFAC-TURZUDJPSA-N 444.531 5.972 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cc(Cl)ccc4C)NC3=O)o2)cc1 59137857 JOQQCGJHMJGCMW-UNOMPAQXSA-N 440.977 6.593 30 40 IKEB O=[N+]([O-])c1ccc(-c2sc(N/N=C/c3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1 59484258 XDTMRMYBDJGABN-OEAKJJBVSA-N 445.460 5.740 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1 101509091 BMJXXZBZQDANFB-UINIZAEWSA-N 444.556 5.551 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 102804586 FLFRERCQPCCDRT-JBCNATCCSA-N 444.512 5.386 30 40 IKEB O=C(CSc1ccc(/N=C/c2cccnc2Cl)cc1)Nc1ccc2ccccc2c1 215724134 IZWOPSPHGBZDPA-JFLMPSFJSA-N 431.948 6.370 30 40 IKEB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(O)=CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C 253535687 IWTDBUXEKPBMLR-SVTWOBQPSA-N 429.604 5.889 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 408674476 ZQGOKMKFUCQRMO-WUXMJOGZSA-N 448.316 5.804 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1OC 408909447 CXMDRWLWKUYBQP-OQNHBUHUSA-N 436.577 5.949 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409209179 HNNNSWNSSSOPMO-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2cccc3ccccc23)C(=O)N1C(C)C 409217422 UPBOOMCJTYQHHN-PIINERKHSA-N 444.600 6.508 30 40 IKEB C=CCOc1ccccc1/C=N/n1c([C@H](C)CC)nc2ccc(Br)cc2c1=O 1531337206 MSKHLJGRMJOOKH-LZCVXGSNSA-N 440.341 5.120 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 820460 JTIQQTDBHFYHSA-SANMLTNESA-N 443.543 6.175 30 40 IKEB CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1O 973838 HJPORBLNAOFOCU-WYMPLXKRSA-N 438.281 5.507 30 40 IKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 3113232 HKTXNUOZCVVQAC-BRJLIKDPSA-N 425.271 6.339 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 3314655 RCKMXWSAEKIHFR-UHFFFAOYSA-N 441.874 5.222 30 40 IKEB CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 8430428 OMNIURFCWDFEAJ-HFJWLAOPSA-N 430.573 6.516 30 40 IKEB CS[C@@H]1CCCC[C@@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 8443532 QIDCGABYEHXGCU-AOYPEHQESA-N 446.641 6.416 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 8743026 VTKNDFGKOGHPSS-GOSISDBHSA-N 447.249 5.212 30 40 IKEB COc1cccc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)c1OCc1ccccc1 9907467 SWHRBJUDJHHYGW-HZHRSRAPSA-N 444.556 5.783 30 40 IKEB COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 12564680 ZOTOCPNECSZKGW-NTCAYCPXSA-N 425.444 5.352 30 40 IKEB O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 16477870 SBCWKDXILIQATI-PZFZXBCHSA-N 434.948 5.718 30 40 IKEB CC(C)c1ccc([C@H]2N/C(=N\c3nc4ccccc4o3)Nc3c2c(=O)[nH]c2ccccc32)cc1 22528214 CJUFBYXCGWKYRU-HSZRJFAPSA-N 449.514 5.585 30 40 IKEB CCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 97954740 QUYKQUBUXJYEIT-OAQYLSRUSA-N 433.596 6.316 30 40 IKEB CCCCCCCCOCC12CO[C@H](c3ccc(F)cc3)N1[C@@H](c1ccc(F)cc1)OC2 103678693 CVIAQUAIMWJTQD-JWQCQUIFSA-N 445.550 6.141 30 40 IKEB CCCCCCCCCC[C@H](C[N+](C)(C)C/C=C/c1ccccc1)[C@H](O)c1ccccc1 104333499 CREBIZUUDAOAQZ-XBBLYXKXSA-N 436.704 7.657 30 40 IKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2[C@H](C)CC1(C)C 198101797 ZGGDOMBPCSUJOS-FRDWBBKPSA-N 442.603 7.659 30 40 IKEB O=C1CCCC2=C1C(c1cn(Cc3ccccc3F)c3ccccc13)C1=C(CCCC1=O)N2 408891842 COYRZKCWPZFHPX-UHFFFAOYSA-N 440.518 5.530 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cc(C)ccc2C)N(CC)C1=O 408910776 KSYLSGGFSFHFPJ-YCJCGMCGSA-N 430.573 6.479 30 40 IKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(C(C)C)cc3)sc1C2 409047641 PCHRALDQPPDHPV-FOKLQQMPSA-N 427.367 6.359 30 40 IKEB COc1ccc(Oc2ccc(N/C(C)=C/C(=O)c3ccc(Br)cc3)cc2)cc1 409098369 ONQKKNMRBBNOEC-FOCLMDBBSA-N 438.321 6.449 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\C(=O)Nc3ccccc32)cc1Br 409117599 OCIHMWJHRCLIKQ-JYRVWZFOSA-N 435.115 5.269 30 40 IKEB Brc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 409201283 KYDJFGRXMGYBOQ-YDZHTSKRSA-N 445.154 6.541 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C 409215362 ZQQRIHDRJMBMOU-UFFVCSGVSA-N 445.582 6.713 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 409215660 CZUZCKZCZCGTBZ-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCOc1cc(C)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1C(C)C 409245913 AUSGESYRQRXSNL-CIAFOILYSA-N 428.985 6.371 30 40 IKEB CCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330219 OLZXZQQEKJLLNV-HJWRWDBZSA-N 444.275 7.642 30 40 IKEB CCOc1c(Cl)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 1531382794 MIRHHUDSRMXZKM-CVKSISIWSA-N 433.895 5.006 30 40 IKEB Cc1cc2c3c(c1)/C(=N/c1ccccc1)C(=O)N3C(C)(C)C=C2CSc1nnc(C)s1 1740816456 HHOYUVVVCVVTIB-QQTULTPQSA-N 446.601 5.590 30 40 IKEB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C 668962 HXEHNYSFNSVPOV-UHFFFAOYSA-N 441.512 5.572 30 40 IKEB aggregator CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 3293671 QNHJNKBAGKZWQL-GOSISDBHSA-N 444.556 6.018 30 40 IKEB CCOc1cc(/C=C/C(=O)Oc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 3432853 MBUTYJJZRUZUQA-NTUHNPAUSA-N 447.462 5.173 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 3850198 NVFBLCBUSIGTCH-HAPMJAMNSA-N 444.637 5.681 30 40 IKEB O=C1C[C@](OC(=O)c2ccccc2)(c2ccccc2)OC(c2ccccc2)=C1c1ccccc1 5052064 SEBWPFLXZNBMHF-PMERELPUSA-N 446.502 6.254 30 40 IKEB Cc1ccc(C[C@H](C#N)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 9127134 FTXQUHLYBKMXMY-AUSIDOKSSA-N 449.599 5.489 30 40 IKEB COC(=O)c1ccc(COc2ccc(/C=C(/C(=O)c3ccccc3)c3ncc[nH]3)cc2)cc1 9378398 JMEULNOCEIVDFG-ULJHMMPZSA-N 438.483 5.199 30 40 IKEB COc1cc(/C=C/c2cc(-c3ccccc3)n3c(nc4ccccc43)c2C#N)cc(OC)c1 13134258 UILJSONZIPIMSH-OUKQBFOZSA-N 431.495 6.214 30 40 IKEB CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Cl)c2O)cc1 16609899 KQIULRYTKVKQJB-VULFUBBASA-N 427.331 6.389 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cc(C)ccc1C 30738675 OEGIXPLFORDYJK-QDJRPKQISA-N 437.634 6.468 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(OC)c4O)c3)nc2c1 38180018 BTUMZLYQKCALSF-PJAVDKHJSA-N 434.923 7.127 30 40 IKEB O=C(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cc(F)c(F)cc1Cl 59461432 AOAOBHCPEUDICV-UHFFFAOYSA-N 440.660 6.534 30 40 IKEB COC(=O)c1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 59484287 REPTXINEIGFGOI-WGOQTCKBSA-N 427.529 6.018 30 40 IKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 96562002 OZQVSUJOSJMMDH-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB CCCCCC/C=N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1 101392774 STBKPDSQZGHTAW-KIGCCDCASA-N 442.426 6.825 30 40 IKEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102862250 IUMNLIPDPAHJGZ-ZHHPLPSFSA-N 431.488 5.034 30 40 IKEB COc1ccccc1NC(=S)N/N=C/c1cc(/N=N\c2ccccc2)cc(OC)c1O 104276413 PKAMBVZMTDOTKZ-WRIATZMJSA-N 435.509 5.145 30 40 IKEB C=CCN(c1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 260565808 VKMKYNUTNUPTDK-RUZDIDTESA-N 448.588 5.257 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1 408528039 CBSKCSDDIMNGKH-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB Cc1ccc(/N=N\c2ccc(N=C[C@H]3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 408534830 MQCHFRWKJYSVHF-LSTNGTEHSA-N 439.475 5.320 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408884388 UHHVJWXDZIKZMG-VEIFWBPYSA-N 432.589 6.434 30 40 IKEB CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408905599 BNBJARRRMCVPFG-WEOUEGTISA-N 442.584 6.321 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 408907070 LMRSSDBJANRJGJ-PEBOIGEYSA-N 428.557 6.451 30 40 IKEB CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)ccc1O 409081722 QJFKPDQXHODBLE-AGSDWXNQSA-N 430.957 5.704 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1 409086345 VGKDUVXWSVRYJA-JEWIKEISSA-N 434.630 7.574 30 40 IKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409211896 ONYYPYDKGVETIK-RDRPBHBLSA-N 427.931 7.770 30 40 IKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cccc(Cl)c1 409307819 VBMCBADRBLUOKQ-UHFFFAOYSA-N 427.813 5.618 30 40 IKEB COc1ccc2[nH]c(CN3CCC(c4csc(Nc5cc(C#N)ccn5)n4)CC3)cc2c1 585295336 VSHTUYGJXHFQAS-UHFFFAOYSA-N 444.564 5.023 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 2292079 YEIHTDXYIZTGEG-UHFFFAOYSA-N 442.628 6.634 30 40 IKEB biogenic CCc1cc2c(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)ncnc2s1 2639369 GLQPXVPRCCSIAR-LLVKDONJSA-N 428.608 5.042 30 40 IKEB CN(CCN(C)/N=C\c1c(Cl)cccc1Cl)/N=C\c1c(Cl)cccc1Cl 4551930 AIQURGZGERKJGO-CBSQCECLSA-N 432.182 5.532 30 40 IKEB Cc1ccc(/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc3ccccc23)cc1 5743156 KVBAGGPRRSFBOP-SHHOIMCASA-N 426.432 5.829 30 40 IKEB CCNc1ccc(Br)cc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1=O 8398018 XKBBATJYPCVQNT-RMKNXTFCSA-N 426.232 5.156 30 40 IKEB CCOc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 8763951 INMBJBTYRUWKEK-PVHODMMVSA-N 445.522 5.370 30 40 IKEB Cc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 8857095 OCXRYRIXDALDHC-IBPHRZDCSA-N 442.317 6.806 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4cc(C)ccc4C)ccc3C1=O)cn2C 8992024 MZNFHAVAKVNQEW-KKMKTNMSSA-N 439.511 5.999 30 40 IKEB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 9608806 ZRZQVYAFRNBQQO-QGZVFWFLSA-N 427.545 5.002 30 40 IKEB O=C(Nc1cc(Cl)cc(Cl)c1)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21 12338659 MHMYVXNUSPQEHZ-PLRJNAJWSA-N 426.259 5.625 30 40 IKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)OC/C(=N/c1ccccc1)Nc1ccccc1 12546895 SQQTYZPTOSEOCV-WYMLVPIESA-N 425.315 6.392 30 40 IKEB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 13004344 OTROLKXJQPCZTE-UHFFFAOYSA-N 447.310 5.224 30 40 IKEB Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2n1 13574798 ITSWMBFBGMIEJR-MDZDMXLPSA-N 433.558 5.705 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)c(C)c1 13842036 JLYVLOPHKUDXOB-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB NC1=C(c2nc(-c3ccccc3)cs2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)O1 16493307 HCIXTRIMNIKJHO-FQEVSTJZSA-N 445.500 5.167 30 40 IKEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 19817753 ZCQXDEVYYADLAT-GSLIJJQTSA-N 437.449 5.375 30 40 IKEB CSc1nc(Nc2cccc(Br)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820622 ZJRITOTZNFPSKT-UHFFFAOYSA-N 431.746 5.897 30 40 IKEB Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1C 21722820 AGQWWMJHABFVAB-VWLOTQADSA-N 448.544 5.266 30 40 IKEB COc1cc(-c2nc3ccccn3c2/N=C/c2cc(Cl)cc(Cl)c2OC)ccc1O 33581404 QDASVZXFFWIBDM-BRJLIKDPSA-N 442.302 5.782 30 40 IKEB CC(C)(C)c1cc(/C(O)=N/c2nnc(CCN3CCCCC3)s2)cc(C(C)(C)C)c1 51145344 DQXFCJYKFYELSY-UHFFFAOYSA-N 428.646 5.798 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1C 83309723 IYBSATNRQLTGHW-WSDLNYQXSA-N 446.532 5.511 30 40 IKEB Cc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1 102507225 XXNYGLZRWUNMGI-JBCNATCCSA-N 444.487 5.370 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccc(C)cc4)NC3=O)cc21 223483955 YZTGGPLSCYJGGG-UCQKPKSFSA-N 431.605 6.297 30 40 IKEB C=CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 225342726 CLPBNSHVURBZMY-UHFFFAOYSA-N 427.422 5.778 30 40 IKEB C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/N=C/c3ccc([N+](=O)[O-])s3)CC[C@H]12 253498501 BKFIBDWKIPCPQA-DAMSHEIPSA-N 441.597 5.755 30 40 IKEB N#Cc1c(NC(=O)CN2CCc3ccccc3C2)oc(-c2ccccc2)c1-c1ccccc1 408554371 DMKVMSAJTYPARJ-UHFFFAOYSA-N 433.511 5.482 30 40 IKEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1Br 408868611 NCOBQUNLUUSQMW-SXGWCWSVSA-N 437.746 5.311 30 40 IKEB N#Cc1ccccc1COc1ccc(Br)cc1C=C1C(=O)c2ccccc2C1=O 408909605 HLBUIZLAWOUUPX-UHFFFAOYSA-N 444.284 5.362 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2C2CCCCC2)cc1 408912559 NVOTXXDSLCKHNE-DCPLYQDGSA-N 432.633 7.229 30 40 IKEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(Cl)cc1 408934546 BGOOOUAMORTLJA-VIZOYTHASA-N 436.689 5.006 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OCC 409075492 WHLORNTXAGBFIB-NUGSKGIGSA-N 432.240 5.106 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1-c1cccc(C)c1 1531275168 AXMYYLMMTBTSSO-MFKUBSTISA-N 449.352 5.093 30 40 IKEB Cc1ccc(COc2cccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2)cc1 1531383372 HFNUXYNWLZOGKK-NDZAJKAJSA-N 445.522 5.833 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 2164633 YVEOFOWVGGOEFV-WSDLNYQXSA-N 446.915 6.032 30 40 IKEB COc1ccc(-c2oc(/N=C3/C(=O)Nc4ccccc43)c(C#N)c2-c2ccc(OC)cc2)cc1 3305130 YNLRFVQIPDAMJJ-UHFFFAOYSA-N 449.466 5.575 30 40 IKEB CC1(C)CC(=O)[C@@H]([C@H](C/C(=N/Nc2ccccc2)c2ccccc2)c2ccccc2)CO1 5180184 BSMWLMCESYEKFA-BXVNPGGSSA-N 426.560 6.061 30 40 IKEB CCc1ccc(S(=O)(=O)/N=C2\C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1 8439127 RLIXDMXDGVQSQG-WNAAXNPUSA-N 447.581 5.608 30 40 IKEB COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 8811354 UAQUEASYLVPTMX-RPPGKUMJSA-N 449.765 6.358 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1C 8821003 MSYHNPCFBSCFMO-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB COc1ccc(C(=O)/C=C/c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)cc1 11868143 QHTXWEUOXDPMRP-HMMYKYKNSA-N 449.506 6.928 30 40 IKEB C/C(CCc1oc2ccccc2c1-c1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13409605 VFVONMJXNPDQSO-PCLIKHOPSA-N 444.447 6.337 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(Cl)c3)c2C#N)C1 17097778 JMFJSCDMCNUZKB-CYBMUJFWSA-N 432.014 5.551 30 40 IKEB CCOc1cc(/C=N/c2nc3c(s2)Cc2cc(OC)ccc2-3)cc(Br)c1O 18168089 GPRTVQKJQYWQKK-LSHDLFTRSA-N 445.338 5.340 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)cc1 33423805 MRZUPLUCUZMNJK-XNTDXEJSSA-N 447.307 6.337 30 40 IKEB CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 36245398 NTITWBAYXKMOTE-BLEOTABNSA-N 442.584 6.526 30 40 IKEB FN(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100028184 LXHMBTBAXXSYNE-UHFFFAOYSA-N 435.077 5.432 30 40 IKEB COC(=O)[C@H](CP(C)(C)=O)C(/N=C(/C)C(F)(F)F)(c1ccccc1)c1ccccc1 104230420 AXKGADSQHBNSTG-HPUZFYODSA-N 439.414 5.365 30 40 IKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224628961 GXXWHYJZFMWGBX-UHFFFAOYSA-N 448.371 6.050 30 40 IKEB COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OCc1cccc(F)c1 408528331 DRAWCHXNGCSGKG-HMAPJEAMSA-N 434.492 5.305 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Cl)c3)S2)cc1 408535008 XDJQBVZYEFDFLS-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1CC 408560087 AHLCCKDJHAFNCF-UHFFFAOYSA-N 429.417 5.849 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O 408914717 VWAMQDQMEAPRPE-UINIZAEWSA-N 430.573 6.425 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1C 408915055 WUNYYJZQIZRDTK-SMSCYPBYSA-N 446.326 5.154 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 408963280 YSHIFXJFFWLUIC-OEAKJJBVSA-N 431.561 5.611 30 40 IKEB CCOC(=O)/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 409190280 RHYYEWKACVSIBJ-YBEGLDIGSA-N 443.124 5.498 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409208352 FJTIEPIJBRZEIZ-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB C=CCc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OCC)c1OC 409215485 ZSNLRQCNAVZJAZ-OAKYDWFHSA-N 436.621 6.657 30 40 IKEB O=C1CSC(=S)N1/N=C/c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 409326694 DHDPXRDQUXNYCG-GZIVZEMBSA-N 434.373 5.191 30 40 IKEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409387410 WNNXERBYVLERGH-MYKKPKGFSA-N 428.941 5.842 30 40 IKEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc(Br)cc1 841929 BWJSZNUQVBZCRJ-UHFFFAOYSA-N 430.352 5.175 30 40 IKEB C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@@H](C(C)C)OC3 2252403 QVEBVGKCKZFRHX-SFHVURJKSA-N 426.607 5.076 30 40 IKEB N#CC(CCOC(=O)c1c2c(nc3ccccc13)CCCC2)(c1ccccc1)c1ccccc1 3418093 PHPCXAXIZLXWFX-UHFFFAOYSA-N 446.550 6.170 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)o3)sc2c1 8738824 LFIXSWXSSDUEAX-IBGZPJMESA-N 434.473 5.136 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 8927125 NSAPWOWRAQXBIQ-SSDVNMTOSA-N 438.237 5.622 30 40 IKEB CCN(/C=N/c1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)CC 9113030 GPRNCHXGVFFGEO-DFKUXCBWSA-N 432.571 6.744 30 40 IKEB C=CCNc1nnc(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)s1 11393321 QPSNPBAMUXDUFU-UHFFFAOYSA-N 438.003 5.223 30 40 IKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O)CC(C)C 13682392 JQULBHOFWPHMQW-AFPJDJCSSA-N 448.390 6.429 30 40 IKEB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 15579817 VXVRYHUQXIGTMD-UHFFFAOYSA-N 447.310 5.485 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 83299340 REOWOZUBTCCFMB-MXAYSNPKSA-N 443.862 5.811 30 40 IKEB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)/C=C/Nc3ccc(Cl)cc3)c2)n1 91695708 OKZJNZFHTJRZGE-ZHACJKMWSA-N 445.872 6.295 30 40 IKEB Cc1ccc(/N=C(\c2ccccc2)N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1 101547979 QVRBNDDIVGVFLV-KDJFERLWSA-N 438.958 7.382 30 40 IKEB CCCCCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103531044 CNWSJZUXACITCD-FMQUCBEESA-N 448.551 10.027 30 40 IKEB CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1cc(Cl)ccc1OC 104174123 SJKFTRYJCASSJE-XMMPIXPASA-N 426.085 7.405 30 40 IKEB CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1Cl 408826633 HVWSKWUZKKSYPB-ZMFRSBBQSA-N 442.968 5.953 30 40 IKEB CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408869931 RCRZKSMDSHAECJ-NHRXPWHVSA-N 448.588 6.046 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c1 409211891 KPHWSJGIBXRSCX-LQKURTRISA-N 444.372 7.549 30 40 IKEB CCOC(=O)COc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 409379548 XPGPAFNLVJZCKW-VULFUBBASA-N 430.416 5.364 30 40 IKEB N#Cc1nc(/C=C/c2ccccc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 606422433 FIAPKYDADLZZIE-VTJDKEBTSA-N 432.955 6.009 30 40 IKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@H]3c1ccc(OCc2ccccc2)cc1 718229 CYJCERZENOXEDI-NDEPHWFRSA-N 446.550 6.687 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 1437502 FZWFXQJDLNGVJB-CCLHPLFOSA-N 439.515 6.191 30 40 IKEB O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 2230947 RKKCASPPSLYVJF-MSXFZWOLSA-N 427.412 5.109 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 3059619 PHUXBDJBILBJKB-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 8745160 ZYGKPHHJHQYFNS-GOSISDBHSA-N 441.560 5.312 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(C)c(Cl)c2)cc1OC 12569729 QXYVRVITPQAROF-JFLMPSFJSA-N 446.938 5.964 30 40 IKEB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 13549186 ZXSBMSDOJFHBCQ-SIDNSYPESA-N 441.556 5.332 30 40 IKEB Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 14009035 QTMBFHSEKDXTSD-KHHYFDFNSA-N 443.597 6.385 30 40 IKEB CCCCOC(=O)c1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 16639055 PHAKQFLKWTXQNJ-ZXVVBBHZSA-N 432.520 5.491 30 40 IKEB O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2noc(-c3ccccc3)c2c1 36636064 VEBUKCVSTGFGCS-JLHYYAGUSA-N 436.423 6.559 30 40 IKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 253497877 YGBQOUNQDOEMKJ-MQILXLMVSA-N 445.430 6.880 30 40 IKEB Oc1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 408718643 NXRRQNGEFOKMOH-KDSGZEPYSA-N 444.578 7.020 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1)N1CCc2ccccc2C1 408730921 WALBJQSGZMJXJC-AFUMVMLFSA-N 445.371 5.491 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)S2)c1 408766077 OLSYEBCHZXFTLA-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)NCc1ccccc1 408799941 JOVXBDWQXQACGO-MXAYSNPKSA-N 441.300 5.034 30 40 IKEB Brc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1 409210428 JXLJYRYAQXLHKF-YDZHTSKRSA-N 445.154 6.541 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2OC)SC1=Nc1ccccc1 409237772 LQYRBNHNWGTEOP-CMEWOCMCSA-N 435.593 5.700 30 40 IKEB CCOc1ccc(/N=C2/S/C(=C\c3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1 1011970 UYEFUCBMVPRGOI-ZOVWXIRQSA-N 446.956 5.467 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 1451088 ZETYJBULWHOQEK-MRXNPFEDSA-N 435.288 5.134 30 40 IKEB N#Cc1c(NC(=O)c2cc(Br)ccc2OC(F)F)sc2c1CCCC2 2790973 ZJFFODJXFDDNDR-UHFFFAOYSA-N 427.270 5.115 30 40 IKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(C)cc2)[C@H]3c2ccccc2)cc1 3133492 JYQLFXRCUAMMQO-QYTZQGLJSA-N 432.519 7.208 30 40 IKEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2cc(Cl)ccc2Cl)c1C#N 9390672 WVMCQHGNZXPBOH-UHFFFAOYSA-N 445.327 5.807 30 40 IKEB CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1 9425470 AYULRTWIOPWGOF-HZHRSRAPSA-N 443.366 5.020 30 40 IKEB CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 9631242 QYOMNXBIBKODNW-UHFFFAOYSA-N 430.529 5.376 30 40 IKEB N#C[C@@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 13129734 YIPDHYJSTPCRMA-QFIPXVFZSA-N 442.515 5.795 30 40 IKEB C/C(=N\Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc(I)cc1 13563103 UZRLDOZFQPRUAP-FSJBWODESA-N 448.695 5.238 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1ccco1 15826243 GIPNFANJLQXWMG-XMMPIXPASA-N 427.504 6.128 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)n1c(nc3ccccc31)N2 17094643 BFTNCODIEGWAOI-BVZFJXPGSA-N 425.919 6.105 30 40 IKEB C[C@@H](NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1ccccc1 20551331 MXKVYUBQYKKLMX-SCELWYEFSA-N 437.337 5.456 30 40 IKEB CN(C)/C=N/c1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3ccccc3)cc2)s1 54596828 ZNUMDLTXCRVZPS-YZSQISJMSA-N 426.545 5.951 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccc(CC)cc2)cc1 59104975 CCVCABMEVNYXQS-NMRWETQTSA-N 447.003 7.273 30 40 IKEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)c1 59533540 XEGZOABSFDUFLL-IWIPYMOSSA-N 428.557 5.643 30 40 IKEB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1S[C@@H](C)CC#N 65453319 PDGJUPCHBQIGPX-INIZCTEOSA-N 443.576 5.465 30 40 IKEB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)/C=C/Nc3ccccc3Cl)cc2)n1 91695702 DDRXXVWCZAILBO-VAWYXSNFSA-N 445.872 6.295 30 40 IKEB COC(=O)c1ccccc1NC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 95455158 NOCCVRZBADLXHL-CQSZACIVSA-N 446.315 5.149 30 40 IKEB O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 97993040 YGWPNMBKQYDKMF-KXFIGUGUSA-N 432.288 5.739 30 40 IKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 101063258 OSOWLGLZNFHGQW-RKKOEMBASA-N 432.387 5.211 30 40 IKEB CN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 103510939 CUIUOADXVJYRCI-GJHWIIEUSA-N 427.573 5.599 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106725009 PBMBATURGRPLNH-PDGQHHTCSA-N 430.323 5.250 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 245241928 UELTYJDTQILMTO-ZXLQENMISA-N 446.553 6.671 30 40 IKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(Br)cc1 408737627 FFISGZRMZIWNOA-FOKLQQMPSA-N 431.717 5.959 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 408856617 HTOLRHAJIXASKH-XKZIYDEJSA-N 435.524 5.442 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1ccc(C)cc1 408911028 IPDFQKXWMRXYDS-HKPGFAEHSA-N 430.573 6.559 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3OCC)S2)cc1 408950181 DTRFRTNANMPWOL-LDADJPATSA-N 447.354 5.138 30 40 IKEB C=CCc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1O 408993228 CWVCUIXXXFPKBO-OGLMXYFKSA-N 430.573 5.742 30 40 IKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 409198957 AOPDNQYRYCJKAS-HYARGMPZSA-N 430.323 5.276 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccccc1 409214464 VJPZEIDIMADXFW-OEAKJJBVSA-N 443.284 5.629 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4ccco4)C(=O)O3)cc2)cc1 8453806 MLVAAFTVDLTTCG-QOMWVZHYSA-N 427.544 7.194 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 8827731 FULOFADDMZMQLB-HSZRJFAPSA-N 446.503 5.288 30 40 IKEB C=C(C)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 9130747 LXWHWEQAUGUIRL-UHFFFAOYSA-N 434.414 5.440 30 40 IKEB Cc1cccc(/N=C2/Sc3nc4cc(C)c(C)cc4cc3CN2CCN2CCOCC2)c1 13562181 NYSVQHZAZUFJAQ-CYYJNZCTSA-N 446.620 5.088 30 40 IKEB Cc1cc(C)c(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c(C)c1 13756749 LMNYAEDMGOPRQL-IMASQNRCSA-N 443.594 7.718 30 40 IKEB Fc1ccc(Br)cc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl 19850077 JSDFGTCPPGRDHW-SCDVKCJHSA-N 446.132 5.324 30 40 IKEB Cc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 38179857 CPZQXVDWVHVSDM-WYMPLXKRSA-N 443.728 6.119 30 40 IKEB N#Cc1c(-c2ccc(OCc3ccc(F)cc3)cc2)c(C#N)c2nc3ccccc3n2c1N 59639119 CJCHJSRBHXEGIQ-UHFFFAOYSA-N 433.446 5.198 30 40 IKEB N#C[C@@H](C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ncc(C(F)(F)F)cc1Cl 84368041 XVLKZQJDYGUTTN-GFCCVEGCSA-N 425.197 5.287 30 40 IKEB O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccc(Br)cc2)/C1=C(\O)c1ccccc1 101069898 MTYHCNYORSVLJB-JBCNATCCSA-N 448.316 5.071 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226340979 YMFVCJVGQRNAHV-VMPITWQZSA-N 442.136 6.077 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408723133 QOJFPZZFBOSSTG-MFKUBSTISA-N 429.501 6.404 30 40 IKEB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N\n3cnnc3)c2-c2ccccc2)cc1 408741178 HGUZLEHIAAUZQI-YKQZZPSBSA-N 433.515 5.684 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)S2)cc1 408754133 PMRDLVJWMUYQBN-HAHDFKILSA-N 432.520 5.859 30 40 IKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)ccc1F 408785748 BMLAAYKGFFCWKW-WYMPLXKRSA-N 446.307 6.205 30 40 IKEB CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cccc1OC 408915361 XTMNNSVOXYVGRQ-BHLGTFHESA-N 438.593 6.195 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c1C 408963905 BDQLFDHZUMBMRD-HMAPJEAMSA-N 435.980 6.202 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccc(C)cc1 409073670 WUBMHDLYGGUMCP-PXLXIMEGSA-N 435.545 5.533 30 40 IKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 409103175 XEXKQLPLQYQCPX-RPPGKUMJSA-N 430.430 6.084 30 40 IKEB Clc1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)c(Cl)c1 409202350 PYWKYRCDIYTTLW-STBIYBPSSA-N 448.349 8.115 30 40 IKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc(Cl)s1 409283387 QXJDSJQWPRZMMD-UHFFFAOYSA-N 440.311 6.060 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(C)cc2)[C@H](C)O[C@@H]1c1c(OCC(=O)O)cc(C)c(Cl)c1C 2037875558 UNXPYTOIKKNIFV-PTNLABRWSA-N 442.983 6.555 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1csc2c1CCCC2 644874 SFDMNEBVLLVUJG-UHFFFAOYSA-N 445.013 5.456 30 40 IKEB CCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 832175 UGYIHEJMGSWRPB-VWLOTQADSA-N 445.559 5.433 30 40 IKEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)c(OC)c1 1080669 JQWFQKQZQDOHLD-XMMPIXPASA-N 425.488 5.225 30 40 IKEB CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3 1834944 WCYAVJNHHMCZKO-MZJWZYIUSA-N 445.540 6.673 30 40 IKEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)c1 2160994 BWWIYKOHPQCDQA-FTWDSPQQSA-N 440.451 5.238 30 40 IKEB biogenic CCc1c(C)sc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)c1C#N 2754610 XMJBDOAFHDETNP-UHFFFAOYSA-N 426.545 5.904 30 40 IKEB Cc1ccc(/N=C2\SCCCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1Cl 3397519 LKHMTSPNEWTBPV-RFBIWTDZSA-N 448.975 6.539 30 40 IKEB Oc1c(/C=N/Cc2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1nc2ccccc2s1 8694283 SMFUSADQVLGPBX-YSURURNPSA-N 436.846 5.479 30 40 IKEB Brc1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3s2)cc1 8767966 HMOHOKMTXDYJBL-YDZHTSKRSA-N 438.350 6.084 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1S[C@@H](C(=O)O)c1ccccc1 9008785 OLBXYKKAKRFEBJ-JOCHJYFZSA-N 428.538 6.267 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccc(OC)cc1 9308172 CYQBTIOVVIGZQO-UHFFFAOYSA-N 436.581 5.213 30 40 IKEB CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 12563298 OSEUYHUNOPAQFS-GOSISDBHSA-N 429.969 6.087 30 40 IKEB COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1O)C[C@@H](CC=C(C)C)C(C)(C)O2 13416223 JJMWPCIGAITBBF-VGMNTSGFSA-N 438.520 5.394 30 40 IKEB biogenic,in-vitro COc1ccc([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1OC 13567882 ZFKGWGKDJKCOPG-OAHLLOKOSA-N 445.437 5.250 30 40 IKEB CC(C)(C)C(=O)C[n+]1ccc(CCSc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 13765420 AYGMZQMSEJNYLK-UHFFFAOYSA-N 448.696 6.392 30 40 IKEB CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 38179856 AEEHNYUFLBUBKR-DHRITJCHSA-N 429.303 6.101 30 40 IKEB C=CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S 59167668 LPKIJHQDRCJMFK-JAIQZWGSSA-N 442.968 5.869 30 40 IKEB C=CCSc1nnc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)s1 224312649 SELAHMGDAJUFEE-UHFFFAOYSA-N 429.592 5.240 30 40 IKEB CCCCCCCCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl 408539623 IVMKKDPTVHNYGM-SFQUDFHCSA-N 443.396 5.839 30 40 IKEB COc1c(/C=N/c2c(-c3ccco3)nc3ccccn23)cc(Br)cc1[N+](=O)[O-] 408720610 AESXLBDXODMACE-SRZZPIQSSA-N 441.241 5.024 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O 408821842 KSNDKXWEMTZJNY-UNOMPAQXSA-N 443.366 5.522 30 40 IKEB C#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1OC 408917437 UKMPZILYMSJXCK-JTUXUYRKSA-N 444.512 5.104 30 40 IKEB CC/N=C1/S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C(=O)N1CC 408930230 UJJYNNHGYWRMEC-LRXZINBSSA-N 428.529 5.116 30 40 IKEB Cc1sc(N/N=C/c2cccc(OC(=O)c3ccccc3F)c2)nc1-c1ccccc1 408949835 GGKODNJXYMOQFK-CVKSISIWSA-N 431.492 5.923 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 408979475 QWWQNLJWULYDJO-SIFZUIMESA-N 442.584 6.737 30 40 IKEB CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccnc2)CCCC3)cc1Cl 409143549 FTGBCAWVVCUIRG-LGJNPRDNSA-N 439.968 6.077 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC 409220760 FKAXZLBSCNYPQK-XNQNREEQSA-N 428.529 5.636 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 861069 YROSDODVBIPNCI-FQRUVTKNSA-N 445.534 5.673 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3 1322026 ARHMTDYMJHVRLU-LJQANCHMSA-N 440.634 5.466 30 40 IKEB C=CCSC1=N[C@@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 3671901 NYARXXACJSSEKL-GAJHUEQPSA-N 428.985 5.703 30 40 IKEB COc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccccc2)n1-c1ccc(Cl)cc1 9127078 PBRUGJDPXMVVSU-HXUWFJFHSA-N 446.963 5.823 30 40 IKEB O=C(O)c1ccc(N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 9291662 OSZWXWWEJSKFAG-RPPGKUMJSA-N 438.314 6.141 30 40 IKEB COc1ccc(/C=C/c2cc(-c3cccc(F)c3)n3c(nc4ccccc43)c2C#N)cc1O 13147750 COPYYWXEMCVZRM-PKNBQFBNSA-N 435.458 6.050 30 40 IKEB Cc1csc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)n1 16363197 KSAGPVNQNBTOEF-UHFFFAOYSA-N 434.468 5.135 30 40 IKEB Cc1[nH]c2ccccc2c1/C=N\c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 17167119 LOQGFQMILICOSK-NTFVMDSBSA-N 427.573 6.097 30 40 IKEB Cc1ccc(/N=C(\C(=O)c2ccccc2)[C@@H](Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1 17419616 MVHBIQWZFZKONM-WDSQAZNRSA-N 446.550 6.622 30 40 IKEB Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)O2 18196525 LVADXVUHQUATHL-QFIPXVFZSA-N 449.348 5.534 30 40 IKEB COc1ccc(CN/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1OC 20196597 KNTTUBZYJLUAKD-OCSSWDANSA-N 444.506 5.699 30 40 IKEB COc1ccc(CN/N=C/c2c(C)n(Cc3ccc(C)cc3)c3ccccc23)cc1OC 20196649 OQBGWQHTGYEMRZ-STBIYBPSSA-N 427.548 5.447 30 40 IKEB N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)s2)cc1 40140472 QZLAYNKWUAXCBM-ZIAGYGMSSA-N 426.489 5.009 30 40 IKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccccc1 50860251 VSFDCALZSHNYNN-UHFFFAOYSA-N 438.619 7.225 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@@H]12 59415244 YQZIRLKEPCVJRH-UOIREZJNSA-N 443.031 5.085 30 40 IKEB biogenic O=C(/C=C/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 72193906 IHJRFJPQJFYAPL-IHWZAFJDSA-N 443.930 5.303 30 40 IKEB Cc1ccc(/N=C/c2ccc3ccccc3c2O)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 100107548 HBZLWIZKBMWHHS-OCSSWDANSA-N 438.571 6.759 30 40 IKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1C1CCCCC1 100393350 WHAQREIOMFWERS-ORVWWNJKSA-N 431.388 6.930 30 40 IKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 100755551 XGBYPXJUPDRINW-QDMUBWQVSA-N 432.387 5.211 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 102714328 FFAXGXFFLXBTER-JBCNATCCSA-N 434.467 5.046 30 40 IKEB CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)[C@H]1CCC2=C(Sc3ccccc3N2)C1=O 102958849 HCOPFRMPZDCQJQ-SFHVURJKSA-N 448.588 5.850 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1Cl 164066017 UJAFKEPYOGNIEW-DHRITJCHSA-N 425.868 5.385 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@H]32)C1 245241022 WKXDFOKWTASGPK-WGZKUFQXSA-N 432.604 5.664 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2O)C(=O)N1C1CCCCC1 408913019 PCALXNPFWQILLM-HNEFAFEWSA-N 436.577 5.900 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 408938086 KJHHZLQJRPBKFL-SNKMTMARSA-N 444.578 7.734 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br 408967401 VOHZIZDFFNPEIL-LDADJPATSA-N 429.339 5.214 30 40 IKEB N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2cccc3ccccc23)cc1 408982365 XTEKYVNVZSDVTO-UHFFFAOYSA-N 427.507 6.602 30 40 IKEB Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1cccc2ccccc12 409034764 QZDUMSVZMRCNOI-FXMZOFOKSA-N 431.355 5.961 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409119694 SQVVXVQMHYUIKW-UHFFFAOYSA-N 432.520 6.222 30 40 IKEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O 409123628 HEMSHIQNRYHDOZ-VCHYOVAHSA-N 447.318 5.050 30 40 IKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc([N+](=O)[O-])c1O 409209255 IJQSTGDCNVEPBF-HZZGJGATSA-N 427.526 5.534 30 40 IKEB CC(=O)n1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc21 409277568 BBNYRAFIZHEWJL-UHFFFAOYSA-N 446.466 5.307 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)[nH]c2ccccc12 409337609 ZVOASXQEVCZZEI-ZDUSSCGKSA-N 437.341 5.344 30 40 IKEB O=C1/C(=C\c2cccc(F)c2)C[C@]2(C/C1=C\c1cccc(F)c1)C(=O)Nc1ccccc12 585145855 CSFOVIUJLCWDPI-TVIPYPMMSA-N 427.450 5.685 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@@H](C)O[C@@H]1c1cc(C(=O)O)ccc1OCCC 585263919 GCLUIGPXWOLUCE-QJHDXQOESA-N 428.956 6.653 30 40 IKEB C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc1 2602897 NAVDYNSOFWMDQP-UHFFFAOYSA-N 433.592 5.957 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)ccc1Br 3112976 KFTVIZFZZSEQNU-WSDLNYQXSA-N 438.306 6.385 30 40 IKEB Cc1cc(-c2cccs2)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 8451110 GEOIQWWXPMBPNY-UHFFFAOYSA-N 436.587 5.143 30 40 IKEB Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccccc1 9562159 ZDKSWZIBICDLHI-UHFFFAOYSA-O 430.380 5.949 30 40 IKEB N#Cc1ccsc1NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 13163612 RVQLOGAWLMSVLG-UHFFFAOYSA-N 426.523 5.161 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1 16663028 TZLXKCWIFDXJDE-VULFUBBASA-N 433.964 6.797 30 40 IKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 20572621 VGYMEBWQLDCBIR-YXPHXUBLSA-N 438.518 6.325 30 40 IKEB c1ccc(/N=C(/N=c2\nc(-c3ccccc3)n(-c3ccccc3)s2)c2ccccc2)cc1 28120247 MWOQGFNFLXDBTO-WSECFMCKSA-N 432.552 6.280 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccccc4)c3C)C1=O)cn2C 28182516 DLHKJDIVTWAODG-MXAYSNPKSA-N 425.484 5.691 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3c(C)cccc3CC)cc2-c2ccccc2S1(=O)=O 33271935 VCHOVVKPRRHUFQ-UHFFFAOYSA-N 432.545 5.171 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34303199 JVBJMRIVVNLPKI-ODBVBZLZSA-N 433.677 6.024 30 40 IKEB CC1(C)CC(O)=C/C(=N\c2ccc(C34C[C@@H]5C[C@H](CC(Br)(C5)C3)C4)cc2)C1 102434968 CVDCNTZSJSSRKK-VKGIAOIRSA-N 428.414 7.006 30 40 IKEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2c1csc(-c2ccccc2)n1 118915683 DIDVQQHUMYJCEX-QAYAPXGNSA-N 447.644 6.396 30 40 IKEB in-vitro CC(=O)O[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 118928072 HXUGNDVVHVLCAY-XIWTYGPDSA-N 442.684 7.139 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)S2)cc1 408533191 QAYAKJGWFYCPTG-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(Cl)c1O 408906371 IUUBZFUJZBYYQS-RVFNTIOESA-N 430.957 5.685 30 40 IKEB CCOC(=O)c1c(/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)sc2c1CCCC2 409074621 WAOSFMUGVXQGOG-WGARJPEWSA-N 440.996 6.615 30 40 IKEB CCCN1C(=O)[C@H](Cc2ccc(OCC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 409141054 LKPYHENYNDHNDZ-ZELUPATCSA-N 442.581 5.077 30 40 IKEB CCOc1c(I)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409214966 VNUKYGCJGVLBJZ-KEBDBYFISA-N 429.685 5.411 30 40 IKEB CCCN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)SC1=Nc1ccccc1 409226258 MJHNEAIDUUULSC-SNSRFIGSSA-N 431.517 5.190 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(OCC)c1OC 409339710 KZPROVHKOMYQQA-XSFVSMFZSA-N 441.574 5.237 30 40 IKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1Cl 2067906 FAGKMJJHPRBFMV-BHGWPJFGSA-N 446.131 7.315 30 40 IKEB C(=N/c1cccc2c(/N=C/c3ccc4ccccc4c3)cccc12)\c1ccc2ccccc2c1 2816313 QJUOZEIMYHONIX-WXGDAXOSSA-N 434.542 8.647 30 40 IKEB CN1/C(=C2/S/C(=N\Cc3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 4108360 VQFJVUYSBOEGII-QDJRPKQISA-N 435.618 5.862 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1 8396133 RVGPTYYAVVIMHX-PNTLFUMMSA-N 444.556 6.129 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 9460973 RFFXIAHPHFYOJG-QFIPXVFZSA-N 430.504 5.372 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 12194217 GWNCCVGLRPMTRM-IXCJQBJRSA-N 440.543 6.281 30 40 IKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1ccc(-c2cccc(Cl)c2)o1 12428746 LLOJMQJODMHCLP-OAHLVZFQSA-N 436.714 6.621 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc2ccccc2c1 13303881 LCILTPXBLZCMHB-QDJRPKQISA-N 447.585 5.842 30 40 IKEB CCc1ccc(N2C(=O)C[C@H](c3ccc(OC)cc3OC)C3=C2CC(C)(C)CC3=O)cc1 13567834 VZJGGJVHZGUOIQ-OAQYLSRUSA-N 433.548 5.430 30 40 IKEB Cc1c(O)ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1O 13756959 HDXVTLHCBGSZKL-OPEKNORGSA-N 439.302 5.769 30 40 IKEB Cc1ccc2nc(-c3cccc(/N=C/c4ccc(-c5cc(Cl)ccc5Cl)o4)c3)oc2c1 14920811 RCCJQTRJNSQXKF-CCVNUDIWSA-N 447.321 8.121 30 40 IKEB N#Cc1ccc(SCCCCCCSc2ccc(C#N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 16384394 MPAWXQDOTJUKMO-UHFFFAOYSA-N 442.522 5.691 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 16451118 HZXBTISGCZQUBM-WOJGMQOQSA-N 425.853 5.400 30 40 IKEB CCCSc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)cc(C(F)(F)F)c1C#N 16733013 QWVJZLHKSFOJKC-UHFFFAOYSA-N 446.469 6.859 30 40 IKEB CC[C@@H]1CC/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3c(C)ccc(C)c3c21 17837417 ZASYPLFQBLFUIG-WLTRUERESA-N 432.480 6.377 30 40 IKEB Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C)nc3sc4c(c23)CCC4)cc1 23406861 HMDBGICISPUTHV-HNNXBMFYSA-N 436.606 5.224 30 40 IKEB O=C(/C=C\c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cccc(OC(F)(F)F)c1 33376770 GPHUZZNZWRVTQO-NTMALXAHSA-N 442.311 6.640 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/Nc2nc(-c3ccccc3)cs2)cc1 59387325 HFIPUUHFWXNQCQ-BUVRLJJBSA-N 449.557 5.332 30 40 IKEB COc1cccc(/C=N/c2ccc(N(C)C)cc2)c1OCc1ccc(Cl)cc1Cl 100383990 WJFSQIFQKBKHBG-VULFUBBASA-N 429.347 6.398 30 40 IKEB CCCCCCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100701490 SXWWQCAJLZCQPW-CZIZESTLSA-N 432.593 5.881 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N/CCc1ccccc1 102148906 LOKJFMSLYCLMKH-MWWVQSJNSA-N 444.025 5.635 30 40 IKEB Cc1ccc(C(=O)/C=C2\Nc3ccc([N+](=O)[O-])cc3N\C2=C/C(=O)c2ccc(C)cc2)cc1 102896294 ORXNONNFHLAHLN-YBOYZMIGSA-N 439.471 5.583 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1c(OCc2ccccc2)ccc2ccccc12 408527328 AEDRHEZROCRFKR-UQQQWYQISA-N 436.536 6.310 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 408597450 ZZOSPTRTZQTDBI-CCVNUDIWSA-N 442.906 5.356 30 40 IKEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1Cl 408805957 CZNQHOOCFATZNE-ROTLSHHCSA-N 433.722 6.415 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C\c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 408852794 IICMPNWGCQTDEI-ROTLSHHCSA-N 445.371 6.642 30 40 IKEB CCCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409084938 YNGMIJZVGSMCSS-UZOOHMMHSA-N 444.644 7.853 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409210889 HJXVMZFLROOTMG-MFKUBSTISA-N 443.952 5.874 30 40 IKEB CCOc1cc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)ccc1O 409341781 FOISEXCFOVFSMY-OCSSWDANSA-N 436.511 6.957 30 40 IKEB CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H]2CO2)c2ccccc12 2442670 FBNOVRADKNFNTI-DEOSSOPVSA-N 439.555 6.426 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S1 8821216 PAXLTIQEYKBFMG-WOJGMQOQSA-N 429.328 6.453 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 9925855 JQRSPWNTQDGELL-VULFUBBASA-N 433.964 6.797 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C#N)C1 13943181 GOLHMTYNORBMKP-AWEZNQCLSA-N 429.586 5.427 30 40 IKEB C/C=C/C=C/C(=O)Nc1ccc(Cc2ccc(NC(=O)/C=C/C=C/C)c(C#N)c2)cc1C#N 14922290 NEBKHYYLYUQIJR-MIIZMDLZSA-N 436.515 5.162 30 40 IKEB O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 15054366 BJKOPLOZQDQIOT-KQWPUEFFSA-N 440.568 5.975 30 40 IKEB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N 15945144 AYNZBADDFOWZNC-UCQKPKSFSA-N 442.496 5.387 30 40 IKEB S=C1/C(=N/c2ccccc2)N(c2ccccc2)/C(=N\c2ccccn2)N1c1ccccc1 18156448 NTFQVQVCZMCMMY-WDZXBNHGSA-N 433.540 6.154 30 40 IKEB CCN(CC)c1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 20617695 KIJRQVPYDMVTPI-YRNVUSSQSA-N 426.310 5.298 30 40 IKEB C=CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 27489098 KYCLETROIHSORM-DEOSSOPVSA-N 443.344 6.329 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1OC 59484337 LISPQRKPULCXFS-WGOQTCKBSA-N 429.545 6.249 30 40 IKEB O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/Nc1ccc(F)cc1F 84572874 BKAJMRZRGIBOQH-CCVNUDIWSA-N 442.425 5.370 30 40 IKEB CCCCCCCCCCC([C@@H]1CCC[C@H]2CCCC[C@@H]21)[C@@H]1CCC[C@H]2CCCC[C@@H]21 100301673 BMIYKWRBLFKRLB-RTJSNJMCSA-N 428.789 10.346 30 40 IKEB Cc1nn(-c2ccccc2)c(O)c1[C@@H](c1cccc(OCc2ccccc2)c1)C(C#N)C#N 100742528 UVAJZDIKUDVWRW-SANMLTNESA-N 434.499 5.261 30 40 IKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C(F)(F)F 225955560 YTGHOOHQRVRQSM-UHFFFAOYSA-N 439.861 5.611 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 226337003 GDUHIZRDYFGRQK-BQYQJAHWSA-N 437.717 5.433 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)SC1=Nc1ccccc1 260562703 BISLFMSSQZMLDY-NNRMMRJXSA-N 447.648 6.813 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccccc3Br)c3ccccc32)c1 408541035 DHKPDDPRJFVUFW-WGARJPEWSA-N 447.332 5.989 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc(O)c(OC)c3)sc2-c2ccc(OC)cc2)cc1 408723429 UNPNOAPUAPFVEN-CVKSISIWSA-N 446.528 5.959 30 40 IKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Br)c1 408931640 OJJYMGDUAJULHC-PCLIKHOPSA-N 438.369 5.444 30 40 IKEB Brc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)oc1Br 408949975 CVSFZRGTMKJNBH-SSDVNMTOSA-N 445.110 6.968 30 40 IKEB C=CCOc1c(Br)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Br 409042577 NMOFRHKZZIYNFI-VXLYETTFSA-N 440.091 5.435 30 40 IKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1Cl 409116680 JYBUMNIXFPUIBC-UHFFFAOYSA-N 437.967 6.667 30 40 IKEB CC[C@H](C)Oc1cccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1 409292930 GCYYNJXZRZHYPF-SFHVURJKSA-N 437.499 5.869 30 40 IKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409311848 BTOPTILWQWZVLL-UCQKPKSFSA-N 433.485 5.902 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)n1nc(SCc3ccccc3Cl)nc1N2 1283533 FIEVFKJHBBKHDW-HXUWFJFHSA-N 440.931 5.385 30 40 IKEB C=CCN(CC=C)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2626657 CJMKKIUBHGJSIO-UHFFFAOYSA-N 428.026 6.304 30 40 IKEB Cc1ccc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 6244734 OQZASONRRBHPCD-ZONZVBGPSA-N 429.523 5.588 30 40 IKEB N#Cc1c(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)[nH]2)sc2c1CCCC2 6445734 HEXVPDPSGJRBQW-UHFFFAOYSA-N 428.970 5.273 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 8811914 MYKKEEUHAUMHIF-VULFUBBASA-N 429.347 6.095 30 40 IKEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S1 8820753 UEMCKGZSFXSKAB-JLPGSUDCSA-N 444.556 5.864 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C#N)cc3)n2)cc1 9423419 MMFCAUSTSBJMNR-UHFFFAOYSA-N 425.435 5.812 30 40 IKEB CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 13881275 MVXPHNJQNFKJDJ-UHFFFAOYSA-N 439.544 5.381 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)S/C1=N\c1ccccc1 13881435 AIQYXDWFYMPQRS-PFMNSIPKSA-N 432.545 5.489 30 40 IKEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 14008683 CPOPIBIRDYNDEI-DEDYPNTBSA-N 435.461 5.145 30 40 IKEB COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2C)CCCC3)c1 15946413 ZEHBNMXXDGSGBR-JFLMPSFJSA-N 448.588 6.264 30 40 IKEB CC(=O)Nc1sc(N/N=C/c2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)cc1 16753172 VHTKAXSDSMIBJX-ZMOGYAJESA-N 426.973 6.165 30 40 IKEB CN1CCc2c(-c3cccs3)nc(OCc3ccccc3Br)c(C#N)c2C1 20459387 VYIHAWYTODADHU-UHFFFAOYSA-N 440.366 5.011 30 40 IKEB c1ccc([C@@H]2C/C(=N\N=C3/C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 33961008 YRRHIUDRTJZIPK-VJILKOSYSA-N 444.534 6.928 30 40 IKEB in-vitro C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c1ccccc1 96803785 JDVSIHZJXICDCV-FRQJIFLKSA-N 447.585 5.722 30 40 IKEB CCCCCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 97951547 DTPGMSXRNZHFTI-UHFFFAOYSA-N 431.646 5.416 30 40 IKEB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1 100117583 BNXHYJGYFILIDX-PZHNNBNVSA-N 432.926 6.435 30 40 IKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1[C@@H]1CCCc2ccccc21 103018710 TWKSTXVZGLYRBY-XGXMNKTLSA-N 444.987 7.022 30 40 IKEB CCCCCCCCNCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 105346120 HIRZFWPMVQHSQR-UHFFFAOYSA-N 437.588 5.008 30 40 IKEB CC1=CC(=O)/C(=C(/C)Nc2ccccc2/N=C/c2c3ccccc3cc3ccccc23)C(=O)O1 227173350 GCOKEYNYSCEDMW-OGGHBDMOSA-N 446.506 6.459 30 40 IKEB CC[C@H](C)Oc1c(Br)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408587913 AOUCWMSWIWWPMY-PUFAJPFRSA-N 437.290 5.094 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C)c1 408595949 YBBLYUWNNLISGR-DHRITJCHSA-N 440.883 5.695 30 40 IKEB C#CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 409044870 CYXAFTUXOMCWBP-UHFFFAOYSA-N 430.331 5.049 30 40 IKEB Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Cl)cc1Cl 409063844 NOGCCOLDXRFEBV-ZRGSRPPYSA-N 428.388 6.964 30 40 IKEB COc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 409209437 BOWUNOKSPQWVBA-YZSQISJMSA-N 431.513 5.675 30 40 IKEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=C/C=C/c1ccccc1 409310644 BUGDNWBKJFZTJU-NZNHPNLESA-N 436.353 5.754 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1OCc1cccc(F)c1 409403471 MFWGRARCLTZKQD-UHFFFAOYSA-N 449.485 5.664 30 40 IKEB Cc1cc(-n2cccc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1Cl 409408277 XGHYUKUZIDAMIY-UHFFFAOYSA-N 438.918 5.698 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 797781 ORJGVVCQYURSQT-NRFANRHFSA-N 431.875 5.341 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1)NC1CC1 1065607 SNALJFXDKBFKCA-LSFURLLWSA-N 436.389 5.724 30 40 IKEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)N1 1100149 QXRKAJNLALRQLX-OAQYLSRUSA-N 433.305 5.097 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccccc1OC 2200770 YNNYLZUSEGXQDF-KRWDZBQOSA-N 436.581 5.384 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 3014376 UCDDJSZWJIRBHU-FQEVSTJZSA-N 446.385 5.396 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\CCCN5CCCC5)[C@@]4(C)CC[C@@H]32)C1 4808204 GHSYWLKHFMASTM-SWTXWOMWSA-N 440.672 5.808 30 40 IKEB in-vitro CCCC[C@@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@@]1(C)CC[C@@H]2C1(C)C 8384846 WEAZETIELYIGMB-PBNUPURSSA-N 430.386 5.636 30 40 IKEB CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 8430438 OMNIURFCWDFEAJ-WXTAPIANSA-N 430.573 6.516 30 40 IKEB COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCCN2CCCCC2)c1C#N 8445927 HFDOHDAGZNVBMN-UHFFFAOYSA-N 443.616 6.182 30 40 IKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 8820978 HLPMRGINIQLOSN-VCHYOVAHSA-N 449.746 6.798 30 40 IKEB COc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2ccccc2F)cc1 9380226 MGLATFUNRHULEZ-OGNZMEIHSA-N 429.447 5.017 30 40 IKEB CCCCc1ccc(NC(=O)/C=N/OCC(=O)Nc2ccccc2Cc2ccccc2)cc1 13060489 FQKQKFMKMAEVPG-TURZUDJPSA-N 443.547 5.200 30 40 IKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)C(=O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 13409720 QXRLFOIWIZFYOW-KRYWEKSYSA-N 428.701 7.588 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 13567810 ZZHAWMLKVWOEEB-LJQANCHMSA-N 439.939 5.521 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1 14117807 ALXGIONRTAGARM-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 14605388 GDMYJMAPRZGDDJ-SANMLTNESA-N 431.580 5.075 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 17145469 IQCHBIOTWKRKRW-QHCPKHFHSA-N 431.919 5.469 30 40 IKEB COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1 33349572 SSOHTJSQYFYSSO-CFEZCKOSSA-N 428.557 5.850 30 40 IKEB O=C1/C(=C/c2cccc3ccccc23)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 59484857 IQQDJTPGXJRMCK-BGTPXQLESA-N 434.564 6.513 30 40 IKEB CCC(C)(CC)[C@](O)(C#CC[N+]1(Cc2ccccc2Cl)CCCCC1)c1ccccc1 67319123 VVUACTKHUSEANS-NDEPHWFRSA-N 439.063 6.558 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3cncc(Br)c3)c(C)c2s1 72228760 DFKXILCEBCNWNR-UHFFFAOYSA-N 432.347 5.131 30 40 IKEB C=CCn1cc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21 96609583 FKXSELWWZVAVTQ-ZBNITPKASA-N 445.544 5.238 30 40 IKEB CC(=O)O[C@@]12C[C@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCCC(C)C)[C@@]3(C)C[C@H]1O2 118936347 WJIXKJVODIQPNM-PXZJIUOUSA-N 444.700 7.376 30 40 IKEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1Cl 408592413 MKBIPJJUFDHDFN-UVHMKAGCSA-N 441.314 6.003 30 40 IKEB Cc1cc(C)nc(N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)n1 408848344 UCZZBAPEXGPJAC-UKWGHVSLSA-N 437.750 5.700 30 40 IKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408855549 FCRCQLVIOIWJMW-VROXFSQNSA-N 431.275 5.548 30 40 IKEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c(OC)c1 409092780 WQTUUOWAWVJVEN-ZFJTUCSNSA-N 430.957 5.617 30 40 IKEB O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(/C=N\c2cccc(Br)c2)c1 409131355 JAFJLEHGYVTFPX-UUYOSTAYSA-N 447.741 6.913 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl 409202309 RHGXVYREMZDCOP-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB Cc1cc2c(cc1C)N[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C1=C(CC(C)(C)CC1=O)N2 861223 NBBKZSFRFJSGCZ-HSZRJFAPSA-N 435.480 5.162 30 40 IKEB C=C[C@H]1Oc2ccc(Br)cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 3668707 SAUDVEBWTPDHPK-LJQANCHMSA-N 430.386 6.075 30 40 IKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 6077000 LALRTYWBIYNSER-MUUNZHRXSA-N 441.571 6.945 30 40 IKEB CCOC(=O)[C@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N 8443103 YDQCASKWHQRYQD-ZDUSSCGKSA-N 428.966 6.046 30 40 IKEB COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 8831586 BNINFUDQKOGOSA-CQSZACIVSA-N 441.622 5.215 30 40 IKEB C=CCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 9439585 RSFOGCGWIYSHHH-UHFFFAOYSA-N 434.348 5.422 30 40 IKEB O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1Cc1ccccc1)CCC3 9553747 FDQRMKXRVWOAHI-DHRITJCHSA-N 434.952 5.094 30 40 IKEB N#Cc1c(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)sc2c1CCCC2 12602866 RRQJUMQNOWTVNB-UHFFFAOYSA-N 428.970 5.068 30 40 IKEB Cc1ccc(-c2cc(/C=C/c3ccc(C(=O)O)cc3)c(C#N)c3nc4ccccc4n23)cc1 13141057 VRNYNZRSBLEKAQ-XNTDXEJSSA-N 429.479 6.203 30 40 IKEB Cc1sc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(C#N)c1C 14271463 JEPOKTYUOVGTRW-UHFFFAOYSA-N 444.379 5.279 30 40 IKEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccc(Cl)c(Cl)c1 16683945 XXIBHSNKBMURBV-AUEPDCJTSA-N 436.364 6.182 30 40 IKEB Cc1ccc(-c2c[n+](CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c3n2CCC3)cc1 27027994 IXIUEEULBGRRRS-UHFFFAOYSA-O 449.987 5.113 30 40 IKEB COc1cc([C@@H]2Nc3cc(Cl)ccc3-c3ccnn32)ccc1OCc1ccccc1C#N 30952914 DPTQZUSDFNKGFM-RUZDIDTESA-N 442.906 5.635 30 40 IKEB N#Cc1c(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)sc2c1CCCC2 32124630 MCGYWTCHEAJJDA-UHFFFAOYSA-N 431.517 5.038 30 40 IKEB Cc1ccc(-c2noc([C@@H](C#N)C(=O)c3nc(-c4ccccc4)n4c3CCCCC4)n2)cc1 40150550 GJPGIKSTAJPXLO-FQEVSTJZSA-N 437.503 5.125 30 40 IKEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2ccccc2N1CCOc1ccc2ccccc2c1 46085166 QCLGDGSKEJPSSO-GNVQSUKOSA-N 441.918 5.735 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 97946014 KBHLWPHKHGBRGO-PTGBLXJZSA-N 439.646 6.827 30 40 IKEB Oc1ccc(Br)cc1/C=N/c1ccc(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 100810643 SKBIBFMWLDMRFV-VUEADWHOSA-N 426.354 5.488 30 40 IKEB CCCCCCCc1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2C3=O)cc1 100916143 RBRURJYFMIKWBI-XMMPIXPASA-N 430.573 5.793 30 40 IKEB COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c1 101857658 DDSPIASNYTWIRP-BKBIYGFMSA-N 446.616 6.911 30 40 IKEB COc1ccc([C@H]2CC3=NC4=C(C(=O)c5ccccc54)[C@H](c4ccc(C)cc4)C3=C(O)C2)cc1 102580666 ALQJVCLZXJUQKW-RXFWQSSRSA-N 447.534 6.539 30 40 IKEB CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 230006041 WHLBCNRCXJZXMF-VNXMGFANSA-N 428.610 5.320 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccco1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 250828252 ZOMAHBYSHWQBDZ-VPIZKCOQSA-N 435.523 5.768 30 40 IKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408850037 DHITYKOQNLJVGA-ROTLSHHCSA-N 444.318 6.543 30 40 IKEB C=CCN(C(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)c1ccccc1 408980725 WYEDOOKHLMAENJ-UHFFFAOYSA-N 443.510 5.587 30 40 IKEB CCOc1cc(/C=N/Nc2nc(C)c(C)s2)ccc1OC(=O)c1ccc(Cl)cc1 409023724 DGHLLMNFDZWGSH-FSJBWODESA-N 429.929 5.477 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409080283 MRKCJUALXYJAEI-WYMPLXKRSA-N 431.326 6.065 30 40 IKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Br)c(Cl)c2)c1O 409098525 QGNQRMGZLJDVNZ-UBKPWBPPSA-N 434.471 5.229 30 40 IKEB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(OC)cc2)nnc1-c1ccco1 409191801 NPNTXBSNIXOWQA-OEAKJJBVSA-N 449.492 5.377 30 40 IKEB CCOc1cc(C)c(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1C(C)C 409246472 BSWKQKCBCGIYNK-JHXFIANCSA-N 438.593 6.150 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OC 409335704 YURYKSYPKWIAKC-DEDYPNTBSA-N 425.575 5.455 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)oc(-c2ccco2)c1-c1ccco1 409375109 FRXRPKDTRWRBFN-MZJWZYIUSA-N 428.831 7.335 30 40 IKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)o1 1531385567 NPFBTMRUFLJRKD-LQKURTRISA-N 449.466 5.212 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)cc1 1786097 TXJFSAFYZUTJFZ-ATVHPVEESA-N 432.364 5.420 30 40 IKEB COc1cccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)c1 2130910 KLOVVVTVQKMDMX-VHQYDUIRSA-N 426.468 5.598 30 40 IKEB biogenic Cc1cc(/C=N/c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(O)c(C)c1Cl 3113681 FNNDXTLINNBMAU-NSKAYECMSA-N 445.733 7.528 30 40 IKEB N#Cc1c(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)sc2c1CCCC2 3294417 QAZMQUWXWZGGMP-UHFFFAOYSA-N 431.892 5.297 30 40 IKEB Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1cc3ccccc3o1)CC2 3327957 WGMIEBJBQNZPGT-CJLVFECKSA-N 444.534 7.115 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)cc1 4065014 PUBGMKLSHJCVGM-CLYVBNDRSA-N 442.515 5.389 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1 6177494 JNAAZPVXVYVNER-QXJJSNKBSA-N 431.319 5.224 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1c(O)ccc2ccccc12 8386506 HHKCIZKVWZREIN-ZMPCKTLKSA-N 433.558 5.539 30 40 IKEB Cc1ccc(/N=C(C(=N\c2ccc(C)cc2)/N(C)c2ccccc2)\N(C)c2ccccc2)cc1 8399477 ZNGZCAFGSSVUPL-SNQKRLHOSA-N 446.598 7.336 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)COc1ccccc1[C@H](C)CC 8400600 GCTKGYMPZGYYAO-RUZDIDTESA-N 431.705 8.176 30 40 IKEB COc1ccc(/N=C/c2c(O)c(I)cc3oc4c(c23)CCCC4)cc1 9335117 WMSAQJIAQRUDPK-SSDVNMTOSA-N 447.272 5.381 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc(OCC)cc2)C1=O 9434647 RVVCUTSUDHDJGC-QGOAFFKASA-N 429.925 5.282 30 40 IKEB CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(C)c3)N(CC)C2=O)cc1 9846347 UGMUOQCCZQXROV-MONKAWABSA-N 439.581 5.072 30 40 IKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 9969651 PTPHRRPTKJFIMD-IBGZPJMESA-N 432.303 5.156 30 40 IKEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]21 13635507 SPICJYJHSFWNHN-ZRBLBEILSA-N 441.943 5.686 30 40 IKEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)cc1OC 20647105 AHWQLNSSMLRXOM-MSXFZWOLSA-N 439.552 5.140 30 40 IKEB O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(N2CCCC2=O)c1 21629922 OCBAMWUIDNQYKH-BUHFOSPRSA-N 444.918 5.615 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463748 FZYFIEUXHPSYEA-AFUMVMLFSA-N 433.464 6.284 30 40 IKEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1 226344222 SYFIABHEMNIYLH-UHFFFAOYSA-N 436.103 5.098 30 40 IKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 260567304 KGHQUUXWCVIQHV-ZQMUWWPFSA-N 440.012 6.296 30 40 IKEB COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1OC 408722741 MULWVSAHWOLCMO-CVKSISIWSA-N 434.948 6.898 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 408738211 JETQIKUAZYPMDY-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1Cl 408738781 OGZCKFUOCTVBKU-XKZIYDEJSA-N 434.948 6.119 30 40 IKEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408741055 NQJHOZBFCUPAAU-VCOZGABYSA-N 430.489 5.487 30 40 IKEB CC(=O)Oc1cccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 408770803 ABLUWHSBIMOZLP-YUMHPJSZSA-N 432.545 5.233 30 40 IKEB COc1cccc2c(/C=C3/SC(=Nc4cccc(C)c4)NC3=O)c(-c3ccccc3)[nH]c12 408847675 UDIWMJVNADTJAV-PXLXIMEGSA-N 439.540 6.044 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl 408912638 RJVFLDGRXIENBU-UHFFFAOYSA-N 439.294 6.044 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl 409078565 IIBKVRURFHLWDR-ZHZULCJRSA-N 449.337 6.393 30 40 IKEB Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N/c2sc3c(c2C#N)CCCC3)n1 409110927 AEHUHQAHMXTUGP-WYMPLXKRSA-N 449.561 5.715 30 40 IKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1C 409201728 NNIBEMWUPQLWCR-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1 409245412 SJYFTXFEFRLYGL-WSDLNYQXSA-N 447.947 5.856 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)CC)cc1 409317272 ONKGWXMOAAGMEY-OAHLLOKOSA-N 442.357 5.171 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccccc1CC 409362823 SYGWKHFKULPOCR-UHFFFAOYSA-N 438.622 5.191 30 40 IKEB CCCCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)Cn2c1nc1ccccc12 1554503642 ZFNKSYWHIZJYFT-HXUWFJFHSA-N 432.568 5.388 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2scc(-c3ccc(C)o3)c2c1=O 719622 JIVNRTAKXAZOPJ-UHFFFAOYSA-N 440.521 5.327 30 40 IKEB CCCCCCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 2187612 RRUPSCUCZSIRMV-UHFFFAOYSA-N 437.587 7.054 30 40 IKEB C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 5963890 ZNUAKACHFYTNFX-QGTGJCAVSA-N 442.728 6.997 30 40 IKEB biogenic CCCCCC(=O)/C=C/[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21 8385687 KVAPQSSLLZXBHI-LMXHIZBGSA-N 446.543 5.536 30 40 IKEB CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 8413559 IWRPYSNXHVNNGX-NRFANRHFSA-N 449.963 5.556 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 8766003 XWEZWGZDTAQNOQ-ZDLGFXPLSA-N 433.291 6.284 30 40 IKEB Cc1nn(-c2ccccc2)c2nc(Cl)c(/C=N/Nc3cccc(C(F)(F)F)c3)cc12 12493990 DGKUIMOPPYZMPA-RPPGKUMJSA-N 429.833 5.847 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c1 13567800 FTDNNXYVSHQFCT-QGZVFWFLSA-N 439.939 5.521 30 40 IKEB CN1/C(=C\C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)C(C)(C)c2ccccc21 17747343 JIGZDXOYCFNJHA-ODLFYWEKSA-N 425.535 5.177 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1F 35152311 OADIPCDMIGAEJI-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1cccc(C)c1 59105771 UAZRDKUFHUSGDU-OEAKJJBVSA-N 448.519 5.613 30 40 IKEB COc1cc(/N=C/c2cc(Br)cc(Cl)c2O)ccc1NC(=O)c1ccco1 98087275 PMSZPJFLCGMBSG-LSHDLFTRSA-N 449.688 5.413 30 40 IKEB CCOc1ccc(CC(=O)C2=C(NCCc3ccccc3)CC(C)(C)CC2=O)cc1OCC 100162359 BAJAZOREJNQMND-UHFFFAOYSA-N 449.591 5.071 30 40 IKEB O=C(/C=C1/NCCc2cc3c(cc21)OCO3)c1cc(-c2cccs2)nc2ccccc12 101042173 GXSIVPKTADESPB-DEDYPNTBSA-N 426.497 5.062 30 40 IKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1COc1ccc(F)cc1 223689220 XGVGYSQBQASHNW-UHFFFAOYSA-N 435.311 5.248 30 40 IKEB C=CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)O)cc1 408632677 GUFQDJXYLBJSPA-RGEXLXHISA-N 441.940 5.401 30 40 IKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=C3/SC(=Nc4ccccc4)NC3=O)c2c1 408777242 XAPXUKKHZWBJQX-PXLXIMEGSA-N 425.513 5.735 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408894926 LCWFXURLFBKMNA-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccccc1CC 409115827 HQICLQIWTSJNHM-UHFFFAOYSA-N 425.164 5.951 30 40 IKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 409214747 UATHCYUWVCGBKF-AFUMVMLFSA-N 438.321 6.039 30 40 IKEB Cc1ccc(Sc2ccc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)o2)cc1 409287816 ZPQBWQZPTXRRMY-UHFFFAOYSA-N 443.572 6.379 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(OCC)c1OC 409333656 UXPKDRSMJRRUKM-XSFVSMFZSA-N 425.575 5.537 30 40 IKEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O 1081801590 WAORZBROFWIQDM-XYHOIZSOSA-N 434.394 5.031 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)c(OC)c1 2055088 DXDXNFACWIRAOJ-HSZRJFAPSA-N 441.568 5.041 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1N1CCCCC1 2247309 IDBYMUZMQMDUCU-CIAFOILYSA-N 438.163 5.658 30 40 IKEB N#Cc1cccc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 3299635 ABOLMQZNXOXHHE-UHFFFAOYSA-N 432.486 5.480 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccc(F)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21 4082107 RBDMRKYPGQLHFZ-JXAXBCJLSA-N 439.581 6.133 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2cccs2)cc1 6156984 IADRAYWMJXEQEO-VOIUYBSRSA-N 427.529 5.522 30 40 IKEB Clc1cccc(Cl)c1CO/N=C/c1c(SCc2ccccc2)nc2sccn12 8855383 DJLCQUWTSYBXCJ-FOKLQQMPSA-N 448.400 6.546 30 40 IKEB CCOc1ccc(-n2c(C)cc([C@H]3C4=C(CC(C)(C)CC4=O)Nc4[nH]nc(C)c43)c2C)cc1 12583543 XHAYHRUOCUGOEQ-XMMPIXPASA-N 444.579 5.725 30 40 IKEB CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Oc2ccccc2)cc1 26841466 BOMAOFOTBQZVIL-DEOSSOPVSA-N 443.499 5.394 30 40 IKEB CSc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59248283 VXUDXWJMQYTSQZ-SRZZPIQSSA-N 438.799 7.319 30 40 IKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)c(OC)c1 72333066 LGWIRWAGRWOHLZ-XMMPIXPASA-N 443.547 5.399 30 40 IKEB Nc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F 100044629 CMRZEKXRBBEZIP-UHFFFAOYSA-N 433.114 6.363 30 40 IKEB CCCCCCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O 100071583 QATJIQBEJBUTMH-UHFFFAOYSA-N 429.475 5.040 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(C(C)C)cc1 104350110 XWPOFMKMULALMG-BYNJWEBRSA-N 445.761 8.089 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]12 253589464 FVWJYYTZTCVBKE-NUXRBXOHSA-N 442.728 6.997 30 40 IKEB endogenous,in-man Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 408692793 VNQRHLGACNQTAS-SFQUDFHCSA-N 436.511 6.874 30 40 IKEB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 408774389 VQENDKRBUJOSII-LMSRTUJASA-N 441.556 5.299 30 40 IKEB COc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C 408785938 KDNJLPSBEGCCRY-YDZHTSKRSA-N 444.316 5.766 30 40 IKEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1Cl 408816990 VCNVLJFKBKJKPW-MXAYSNPKSA-N 429.303 5.770 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br 408830563 YPKMURLDKIMLLK-WJDWOHSUSA-N 448.725 5.355 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 408908832 SJLMYBMMTIXORE-TWZDJBIOSA-N 442.584 6.841 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c2ccccc12 408910174 FZHMGXMGRTYKCE-BOSNEQTGSA-N 430.573 6.417 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1C[C@@H]1CCCO1 408959707 DOIHWKCCKXMBMI-CBQYSRAJSA-N 447.604 5.460 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409096061 JERPAVJZAYNVOO-UVHMKAGCSA-N 438.409 6.063 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 409203446 YAJPCOIOYNMZKO-UFFVCSGVSA-N 443.566 6.489 30 40 IKEB Cc1cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409215872 BVTFNVZNZMWNSD-SASMBBMYSA-N 426.542 5.091 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 409216562 MGOOBGIIJGWEQV-JVWAILMASA-N 446.344 6.941 30 40 IKEB CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405161 MSXUHDJOLXBLBR-KRWDZBQOSA-N 442.475 5.031 30 40 IKEB C/C(=N/OC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCCC1 1402129 SHVZUTCAODFNQR-ZRGSRPPYSA-N 426.826 5.327 30 40 IKEB COc1ccc(C2=C(/C=N/c3ccccc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC 2291318 XWCCEOZZKMECFI-CLCCEFQUSA-N 447.534 7.042 30 40 IKEB Cc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccccc1 2413263 LLAAQIOQSCJUBY-NRFANRHFSA-N 436.515 5.267 30 40 IKEB CCCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc1 8440801 CYYVWSFVWZGQGP-NRFANRHFSA-N 437.517 5.299 30 40 IKEB CC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 8741895 FJNMRFSIFOTQDI-MCMRFMRISA-N 443.528 5.054 30 40 IKEB Cc1ccc2nc(-c3ccc(NC4=CC(=O)C[C@H](c5ccc(F)cc5)C4)cc3)sc2c1 8756796 NIASTRMTIFLBEB-LJQANCHMSA-N 428.532 6.853 30 40 IKEB C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccc(Cl)cc1 12905231 IGGULAUGFAXPRM-UHFFFAOYSA-N 431.817 5.772 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c(Br)c1 15224808 SKBCPUQGFCYFRK-BUVRLJJBSA-N 425.326 5.605 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1)c1ccc(Cl)cc1 15919817 JAPKKBXTMDABJR-JOCHJYFZSA-N 446.890 5.235 30 40 IKEB O=c1c2ccccc2nc(COc2cccc3ccccc23)n1/N=C/c1cc2ccccc2[nH]1 16545064 OKHMETFZFZZGFI-STBIYBPSSA-N 444.494 5.492 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 58884145 MKQQAMCGDSQPIA-MSIOFZDNSA-N 448.910 5.015 30 40 IKEB CCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 97954741 QUYKQUBUXJYEIT-NRFANRHFSA-N 433.596 6.316 30 40 IKEB CCOC(=O)c1ccc(NC(=O)c2c(/N=C/c3cccnc3)sc3c2CCCCC3)cc1 101154136 AZXGPZNTHBRUJB-JVWAILMASA-N 447.560 5.592 30 40 IKEB F/C(=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 103531300 PVZVOMUQXLHQJU-IWQZZHSRSA-N 446.100 6.531 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccc(CCCC)cc2)cc1)S(=O)(=O)c1ccccc1 224375043 MMVSEFFEIUAYEK-UHFFFAOYSA-N 448.588 5.663 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OC 408861638 UGOIUIQAYZDYGE-MOSHPQCFSA-N 430.957 5.728 30 40 IKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408915820 ZOWPNFXKVXVSJV-MUFRIFMGSA-N 442.490 6.261 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc1)N2 408935111 GTFIQLBGUIBNKM-ZTFARHIYSA-N 425.488 6.186 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)cc1Cl 409012839 LKBIIFSSWFSHFM-BCULVLPOSA-N 444.984 6.150 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 409219270 OZKQEKUBUOJPDN-YDZHTSKRSA-N 436.316 5.520 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2ccc(F)cc2)cc1 1457561 SZKORZTXWSYTIG-PPHZAIPVSA-N 428.507 6.122 30 40 IKEB Cc1ccc([C@@H]2C(/C=C/C(=O)c3ccccc3)=C(c3cccs3)Oc3ccccc32)cc1 1902895 SWUMXSRWWQVLQO-BUCZBDGVSA-N 434.560 7.431 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2384076 GADIFYAALANNRB-UHFFFAOYSA-N 429.568 5.110 30 40 IKEB C=CCn1c(SCCOc2cc(C)ccc2C)nc2scc(-c3ccco3)c2c1=O 3299062 FVOPHRIBCFYQJV-UHFFFAOYSA-N 438.574 5.692 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1OCc1ccccc1 9311191 NLBJQHHYGLQKQU-IWIPYMOSSA-N 444.556 5.783 30 40 IKEB CCOc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1 9379981 GCEVMCSEUDKBBE-HKWRFOASSA-N 445.540 6.136 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(Cl)cc2Cl)cc1 9763870 WHWOLKDIYFNIDC-KRWDZBQOSA-N 445.327 5.541 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(C)n(C3CC3)c1C)C1=C(CC(C)(C)CC1=O)N2 12562903 DELCHVFJSPRIGE-VWLOTQADSA-N 440.591 6.135 30 40 IKEB Cc1ccc(-c2cc(/C=C/c3ccc(C(=O)O)cc3)c(C#N)c3nc4ccccc4n23)cc1C 13141517 OZKQIXBIGIKXMP-GXDHUFHOSA-N 443.506 6.512 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 14133279 WJEKUXNHKWBOSB-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB O=C(/C=C/c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(Cl)cc1Cl 16158887 IBWSRCOYZSVQDB-RMKNXTFCSA-N 427.205 7.048 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)c1cc3c(cc1N2)OCO3 18196825 HMFASLZNPOGAOM-AREMUKBSSA-N 425.484 5.559 30 40 IKEB COc1cc2c(cc1OC)[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)N2 18197155 KIAOTBPHMURIHE-HHHXNRCGSA-N 441.527 5.847 30 40 IKEB COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 20762763 FAWYRZGLQOPNJN-UVHMKAGCSA-N 449.765 6.358 30 40 IKEB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2C2CCCCC2)cc1 28606469 QZJCQVHXEQPHTN-UHFFFAOYSA-N 447.564 5.061 30 40 IKEB CC[C@H](C)c1ccccc1/N=C/c1c(O)c(OC)cc(Br)c1Br 38179987 GCQVOHZIKFHUPM-JYQBEENSSA-N 441.163 6.190 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cccc(Cl)c4C)NC3=O)o2)cc1 59137858 YYANKMWMRUVPMF-UNOMPAQXSA-N 440.977 6.593 30 40 IKEB COc1ccccc1C(=O)Oc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)cc1 59193901 SVGFOGZTJVQMBU-WGOQTCKBSA-N 443.528 5.792 30 40 IKEB Cc1cc(Cl)ccc1/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C 101651092 MPZRUZNDUQKCIE-OVJLLXBISA-N 436.364 5.200 30 40 IKEB COc1cc(/C=N\c2ccccc2Br)ccc1OCc1cccc(C(=O)O)c1 408810045 IGMBEJZTYYEMBO-CFRMEGHHSA-N 440.293 5.486 30 40 IKEB CCOC(=O)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OC 408856160 BFWPNBSWBHWYGC-WQRHYEAKSA-N 446.912 5.084 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 408864601 XHPVTLQLVTWJSR-CZCFBLPSSA-N 426.969 6.228 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)c1C 408967768 RZMNMXDMIRIDSF-CLHPWSKPSA-N 443.616 6.507 30 40 IKEB C=CCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)cc1 409022396 MZQCLYUKCQGGKV-JMIUGGIZSA-N 444.314 5.435 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1 2186441 AYWLYDJECWPBRF-BHGWPJFGSA-N 437.293 6.036 30 40 IKEB N#Cc1c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 3066954 FWWXKTOQVIBTNM-UHFFFAOYSA-N 427.323 5.773 30 40 IKEB Cc1cccn2c(=O)c(/C=N/Cc3ccco3)c(Nc3ccc(SC(F)F)cc3)nc12 3179444 ILKSRLCCUVCXOX-DHRITJCHSA-N 440.475 5.273 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(C(=O)O)cc2)cc1OC 3243252 NLFOMRFFNPDBEH-CVKSISIWSA-N 427.460 5.005 30 40 IKEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C/c2cccc(Oc3ccccc3)c2)c1 3279874 ZWNYYDSWXIQNDG-LGJNPRDNSA-N 449.885 6.472 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)ccc1Cl 8715758 FEBHIZUUQWYEBB-XMMPIXPASA-N 445.946 6.555 30 40 IKEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 9087292 RIZHIWRNUHMCIA-HSZRJFAPSA-N 447.918 5.830 30 40 IKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 9306465 XNCYFTINFGSUNZ-ZWYQHUONSA-N 444.486 6.589 30 40 IKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 9319713 FNWNMWZUGOEHMU-PCLIKHOPSA-N 430.533 5.468 30 40 IKEB CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl 9504839 VFAGDEBNSOPEPN-FQEVSTJZSA-N 437.971 5.632 30 40 IKEB C=C(C)COc1ccc(-c2nc(N)nc(C)c2Oc2ccccc2Br)c(O)c1 11865073 INRPOLXZULZPLN-UHFFFAOYSA-N 442.313 5.250 30 40 IKEB biogenic CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C 12445203 AITJTURKCCCOIZ-SXWKCWPCSA-N 441.402 7.134 30 40 IKEB O=C1c2ccccc2-c2cc(/C(=N\C3CCCCC3)c3ccccc3)c(O)c3cccc1c23 15135227 IZZRFLYSTHDSDG-PNOGMODKSA-N 431.535 6.927 30 40 IKEB CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611429 UHSIPOQOJKSDIE-QPSGOUHRSA-N 433.267 5.299 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C1=N/c1ccccc1 101635858 BRYNBLNOQPNQEA-SGXAETBLSA-N 436.508 5.726 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 408766495 RLSPIHXURNICDN-HYARGMPZSA-N 435.980 6.202 30 40 IKEB CCc1nnc(S)n1/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408853344 RGWKJVHQADIWME-AUEPDCJTSA-N 430.364 5.321 30 40 IKEB Cc1cccc(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)c1C 409015903 PIRXQEHUANHDIX-WXXKQLPBSA-N 442.628 7.692 30 40 IKEB Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 409103497 BYMAYNBOSIHCFT-UUYOSTAYSA-N 431.586 5.991 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)[nH]c2C)cc1C(C)C 409281576 MWZZSOJQMNLPOT-UHFFFAOYSA-N 442.563 5.721 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(C)C)O[C@@H]1c1cc(C(=O)O)ccc1OCC 585263879 AYYZQLMZZSRYBI-YENTXNKWSA-N 442.983 6.899 30 40 IKEB CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cc(C)ccc1C 2063010 UNKKJBDEJJMDBC-UHFFFAOYSA-N 434.580 6.031 30 40 IKEB Cc1ccsc1/C=C1\Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O 2421793 PNDLWUGRRALAMR-AUWJEWJLSA-N 438.373 5.947 30 40 IKEB COc1ccc(C(=O)C2=C3SC=C(c4ccc(Br)cc4)N3CC2)cc1OC 3265838 RXYVNVZBKHWQAI-UHFFFAOYSA-N 444.350 5.312 30 40 IKEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 9124688 GIOTYPOMJYHBOR-BXKMTCNYSA-N 426.907 5.500 30 40 IKEB O=C(Cc1c(Cl)cccc1Cl)Nc1nc(-c2ccccc2)cn1/N=C/c1ccccc1 12643347 GDIYORNXFLBUAP-JFLMPSFJSA-N 449.341 5.920 30 40 IKEB CN1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2-c2nc3ccccc3s2)C1 16837181 LZBVPIXGKVMDTF-UHFFFAOYSA-N 430.558 5.137 30 40 IKEB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ocnc2C#N)cc1 19927861 NSDLJBYSUFIGNZ-RWPZCVJISA-N 440.507 5.270 30 40 IKEB COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC 20195686 KSEXKXQIAAQGSS-MZJWZYIUSA-N 445.346 5.713 30 40 IKEB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/Nc1nc2ccccc2s1 25422725 XINCVFSXNXBXJO-CVKSISIWSA-N 443.507 6.168 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)c1 27520679 IRVYREFMGMQWIV-WQRHYEAKSA-N 430.371 5.024 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@]23O[C@H]13 34255994 HXKDHGZOPCTTAY-QUSHEWTOSA-N 444.700 7.171 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1C 34764830 LOYGRGMFCUFQET-UXHLAJHPSA-N 446.554 5.970 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C2CCCC2)CC1 72345232 WTOVFPKUNUEIRO-UHFFFAOYSA-N 444.619 5.306 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)s1 135843119 VGVYKRXCCGZXRO-ANFUGJHOSA-N 439.537 5.236 30 40 IKEB O=C1/C(=C(\O)C(F)(F)F)CC/C1=C\c1cc(Br)c(O)c(Br)c1 408562784 CENWFKWHQOJBKA-BPVQJAMASA-N 442.025 5.038 30 40 IKEB CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408674412 ZJSJQIDRZDNXJQ-OOWPADAASA-N 441.568 5.120 30 40 IKEB C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cccc1OC 408911395 JDUMYQBOCINTIM-GBDKMTHCSA-N 436.577 5.971 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OC 408937308 ISFLKLJBVLNBIC-STWATBMFSA-N 438.571 6.979 30 40 IKEB Cc1ccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)cc2)cc1 409168279 POCYVFXOTBPZMW-ZVHZXABRSA-N 440.524 5.682 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409202153 PGYFLUPHELHKTI-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)S1 409252606 SVZOWYRUPHGLEH-UNOMPAQXSA-N 437.908 5.029 30 40 IKEB O=C(c1ccc(Br)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243252 ZUONVSHQUNOUTF-UHFFFAOYSA-N 437.483 5.753 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OCc4ccccc4)CC[C@H]32)C1 2049238433 TUEREPUZRGDETH-ULCUKZTLSA-N 436.592 5.645 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 861070 YROSDODVBIPNCI-IBVKSMDESA-N 445.534 5.673 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2scc(-c3ccccc3)c2c1=O 2889472 RYUSSUBNRWFJSI-UHFFFAOYSA-N 446.597 5.903 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc(SC)cc2)C1=O 2898876 RZTQDOUJVFDNMR-SFQUDFHCSA-N 431.966 5.606 30 40 IKEB CC(C)CC(=O)O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 3064376 MPSDQRYLWWPNPP-XHPQRKPJSA-N 438.833 5.199 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2c2nc(-c3ccccc3)cs2)cc1 3073417 CVTLTSDKNATWQH-QFIPXVFZSA-N 442.584 6.203 30 40 IKEB Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)c1 4109141 KEUSPPSJYVNLFB-QDJRPKQISA-N 445.569 5.879 30 40 IKEB C1=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C/C1=N/OCCN1CCCC1 5104031 INXREGQZIJKRLL-CHEQPDMZSA-N 436.599 6.510 30 40 IKEB Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCCC(C)C)n24)COC(C)(C)C3)cc1 9187343 MNUMIOUVIUNZAV-UHFFFAOYSA-N 435.597 5.643 30 40 IKEB COc1ccccc1NC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@H](C)C2 9907626 GRBPHZITUAMPKJ-DCMOEJRUSA-N 447.604 5.950 30 40 IKEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 13017156 IXOGOTXDINCQON-LLVKDONJSA-N 425.318 5.006 30 40 IKEB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OC/C=C/c3ccccc3)ccc21 13569136 QWISISPZCXFDHG-XEJBWBEKSA-N 430.503 7.062 30 40 IKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 17195397 RNKFCDFKWWMQPM-WSDLNYQXSA-N 425.355 5.912 30 40 IKEB CNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 21722392 UPRZMAGQQCKCLP-SSOJOUAXSA-N 443.503 5.002 30 40 IKEB Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 32984385 RTQNUFLFSSFFMC-UHFFFAOYSA-N 427.884 5.437 30 40 IKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O 36093498 ZPBMBACIKDGMLR-KVZWLNNISA-N 429.973 5.373 30 40 IKEB COc1cc2c(cc1OC)-c1cc(-c3ccc(Cl)c(Cl)c3)c(C#N)c(=N)n1CC2 101356479 QWVOZMCOTIQCPY-UHFFFAOYSA-N 426.303 5.053 30 40 IKEB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N\Nc1cccc(Cl)c1C 101404618 TXCYZWNLXRPLJD-BWAHOGKJSA-N 444.347 5.616 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2)/C1=C(\O)c1cccs1 102800363 XZXPLAAQCYRUHG-GHNGSUTGSA-N 436.489 5.123 30 40 IKEB COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103538145 COWBSAKCDQKSKI-UHFFFAOYSA-N 446.125 5.345 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1cccc([N+](=O)[O-])c1 104360275 UOGCKENBJCEZQP-QLYXXIJNSA-N 448.677 6.874 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)S/C1=N\c1ccccc1 223497065 RUBFAVPGNPBNRC-KHHYFDFNSA-N 431.605 6.251 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)S2)cc1 260564903 FTPRWKRNNKJNLR-ZGFXFUDXSA-N 440.012 6.262 30 40 IKEB N#Cc1ccccc1CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 408750406 MKFJTNKWFSWUHK-UHFFFAOYSA-N 427.510 5.261 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4cccc5cccnc45)o3)S2)c1 408991430 ODWVKWZRFKZJSB-ZHZULCJRSA-N 443.553 6.179 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)S/C1=N/c1ccc(C)cc1 409151386 BAADRSYLHVBKAC-ZBNITPKASA-N 446.528 5.967 30 40 IKEB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OCC(C)C 409170439 VRVPSSHXNGVRJT-UUYOSTAYSA-N 436.533 5.228 30 40 IKEB C=CCOc1c(I)cc(CNc2ccccc2Cl)cc1OC 409176107 HNJUHZWWFLYYRC-UHFFFAOYSA-N 429.685 5.130 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c(C)c1 409218949 LVZCFHBAEAXRSZ-AFUMVMLFSA-N 437.337 5.834 30 40 IKEB Cc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc2n1C(C)(C)C 409400623 ADNDRVOSUPXJOR-UHFFFAOYSA-N 434.543 5.964 30 40 IKEB Cc1nc(-c2ccccc2)ccc1C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 505300516 VTHMHDJVBPVKPI-GOSISDBHSA-N 440.528 5.136 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 811240 DAQQPSMGULWCMY-NTKDMRAZSA-N 435.951 5.653 30 40 IKEB CCCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 5092869 MPBHOJHESNZCEY-HHHXNRCGSA-N 432.608 7.094 30 40 IKEB Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9482648 YDEVQCXZQIFRED-LHSJRXKWSA-N 441.314 5.954 30 40 IKEB C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nc2cc(Cl)ccc2c1=O 10619970 DPRWCSBQTSJNDX-UHFFFAOYSA-N 439.924 5.192 30 40 IKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1)c1cccc(C)c1C 12986229 YZVMJSYPKWAGOX-CSKARUKUSA-N 445.371 6.647 30 40 IKEB CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1 13503488 LJBPAFWFXYAJFI-UHFFFAOYSA-N 435.549 5.252 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(OC)c1 13805874 YVOQAGVWVKNBDH-UHFFFAOYSA-N 442.972 5.141 30 40 IKEB CCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1Cl 16637207 MYWSGKIWEUGBMN-ZVBGSRNCSA-N 430.129 5.951 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C1=C(CC(C)(C)CC1=O)N2 18196100 VBZCLYGRCGYIJN-JOCHJYFZSA-N 427.504 5.080 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)c2cc(OC)ccc21 28182794 MMZUPYWJHZJXHG-DPKCJYKSSA-N 446.547 5.366 30 40 IKEB C[C@@H](Sc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)C(=O)Nc1nccs1 100097390 GHGMIROQACHFER-MIDUAYCOSA-N 442.566 5.762 30 40 IKEB Cc1nc(/C=C/Nc2cccc(Cl)c2)c(C#N)c(-c2c(Cl)cccc2Cl)c1C#N 100101079 NONPPBPANBWXHD-CMDGGOBGSA-N 439.733 6.843 30 40 IKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2Cl)c1O 100248096 FLILYYZAMOGMED-UVHMKAGCSA-N 435.829 7.006 30 40 IKEB CCCCCCCCNC(=O)C[C@@H]1S/C(=N\N=C(/C)c2ccc(Cl)cc2)N=C1O 100951504 JEIVXSOYTCQRJY-BIKZULFDSA-N 437.009 5.359 30 40 IKEB C/C(=N\c1ccc(Cl)cc1)c1c(-c2ccccc2)nn(-c2ccc([N+](=O)[O-])cc2)c1O 104132023 IEASGLBYHJHDNV-MFKUBSTISA-N 432.867 5.947 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)cc21 223484771 SLNPIZQTOIOUIJ-OYKKKHCWSA-N 445.632 6.605 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)c2C)cc1 408761145 CHDXHHUPIYIUAN-XKZIYDEJSA-N 435.980 6.202 30 40 IKEB C#CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O 408820216 UQURGZDLNDKKOM-YVLHZVERSA-N 447.741 5.006 30 40 IKEB Cc1c(Br)c(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccccc1 408857286 LQRWJTKYIFEIDY-WPWMEQJKSA-N 444.376 7.351 30 40 IKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408935383 DQYBYYRROZVYDK-MBTHVWNTSA-N 445.950 6.604 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1 409200291 HNZYWFRFUMNUTE-KOEQRZSOSA-N 439.533 5.311 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c(C)c1 409210372 KORYKTHHFYKVGI-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB N#CCOc1c(Cl)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409401880 FNYUKODDVNCKEH-UHFFFAOYSA-N 449.297 5.155 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@](C)(CC)OC3 751989 JOIBVMCNLGRXAE-QHCPKHFHSA-N 442.606 5.365 30 40 IKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 3059656 LONARJDURUBTEJ-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 4047868 UXBLMKHKNIFXDS-WINIVTDRSA-N 443.978 6.386 30 40 IKEB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](/N=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2/N=C/c1ccc([N+](=O)[O-])cc1 4266669 AXCIBLMNRMNTNI-HISHBMPDSA-N 434.496 5.234 30 40 IKEB C=CCN(CC=C)Cc1c(O)ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc12 4290104 SLOJDWMEAXNYSG-UHFFFAOYSA-N 439.511 6.132 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 6177480 JNAAZPVXVYVNER-WLJAHRKQSA-N 431.319 5.224 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 8821207 KKABQCMGNLSNSV-SXGWCWSVSA-N 426.847 5.649 30 40 IKEB CC(=O)c1c(-c2ccccc2)nc2c(C#N)c(C)n(-c3ccccc3)c2c1-c1ccccc1 9353375 UJOIYMNSRZBMPK-UHFFFAOYSA-N 427.507 6.742 30 40 IKEB Cc1sc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(C#N)c1C 12701117 XVJFFLBMMDFCAW-UHFFFAOYSA-N 436.587 5.639 30 40 IKEB C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 14069637 RPBLSQCYNYGPDV-UHFFFAOYSA-N 441.969 5.125 30 40 IKEB CC1=NN(c2ccccc2)C(=C/c2ccc(Cl)cc2)/C1=N/c1ncc(Cl)cc1Cl 35073751 GMZPGJVFAYPWTJ-IREXREQBSA-N 441.749 7.052 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 36028869 MZWMSJYEFDKGQE-VNSNFZHPSA-N 438.358 5.761 30 40 IKEB CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCC 79930587 UMVKSZJYWGCRLT-UHFFFAOYSA-N 438.825 11.185 30 40 IKEB CCCCCCCCCOc1ccc(/C(C)=N/Nc2ccnc3cc(Cl)ccc23)cc1 101428969 PQMDNMWVYXZVIC-ZTKZIYFRSA-N 438.015 7.854 30 40 IKEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102536710 MZSMBVNVHXRFAN-CVCLFZMUSA-N 439.939 5.064 30 40 IKEB COc1ccc(C(=O)Oc2ccccc2/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1 408893329 DZHXHBCVPZMQEX-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Sc2ccccn2)o1 408988106 CPINNEDXJGVWHL-GDNBJRDFSA-N 448.356 6.024 30 40 IKEB CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC#N 409332947 SPQGSJVZXAPIQI-WOJGMQOQSA-N 430.938 5.047 30 40 IKEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2285288 AWGDPKTYLLGOGP-UHFFFAOYSA-N 436.302 5.085 30 40 IKEB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccc(C)cc1 2440972 ONTBCVHPGIIMGB-LQKURTRISA-N 438.535 5.065 30 40 IKEB O=C1N/C(=N/N=C/c2ccc(-c3cccc(Cl)c3)o2)S[C@H]1Cc1cccc(Cl)c1 2669022 GERDBPIXVJGFRW-OGBFJMLUSA-N 444.343 5.418 30 40 IKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 3115556 NLKGHBIHWCDUKS-YSURURNPSA-N 445.675 6.506 30 40 IKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1OC 8992376 OJCMJHHYLMMUOT-UHFFFAOYSA-N 448.441 6.088 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 9123673 IPXNMDZBBAOBAZ-LJQANCHMSA-N 438.936 5.505 30 40 IKEB Cc1cc(O)c2c(CSc3nc4c(c(C(F)(F)F)c3C#N)CCCC4)cc(=O)oc2c1 11865306 DQRZRTXJAUFKER-UHFFFAOYSA-N 446.450 5.264 30 40 IKEB biogenic C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(F)cc1 14081681 YARPYPUYZCKUAA-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB COc1ccccc1CN/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 20762139 UQLXJVTWUOOFQN-CCVNUDIWSA-N 438.358 6.129 30 40 IKEB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1cccc(C#Cc2ccccn2)c1 32905221 CSYZQTNJHSSNIL-UHFFFAOYSA-N 434.495 5.078 30 40 IKEB Cc1cc(C)nc(N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)n1 33735476 YZLFNGAMUUJRLD-BOBZGOHDSA-N 446.558 5.895 30 40 IKEB Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)c(C#N)c1-c1ccc(C(C)C)cc1 35897662 USOLBVYBTREFQK-KSCDAYEDSA-N 434.561 5.570 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1CC 53276118 PBRJFQKUOYRTIB-HXNPFYCNSA-N 428.557 6.326 30 40 IKEB CCCCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 97953963 JFSCPOMFUMYERF-DEOSSOPVSA-N 445.651 7.396 30 40 IKEB COc1c2c(cc3c1[C@@H](CC(/C=C/[C@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 97972111 SVSPODGIYWQUSW-RGQNLGNCSA-N 426.557 5.112 30 40 IKEB CCN1/C(=C2/S/C(=N\c3ccccc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 102144316 OBWRFYOVKSJAFR-NPGCFZLRSA-N 447.560 6.395 30 40 IKEB CCOc1c(Cl)cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1Cl 408797380 RMUUYPUEANYXMS-GOSISDBHSA-N 444.314 5.134 30 40 IKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408860082 RRUDRNIXCMJCGM-MTJSOVHGSA-N 437.952 5.648 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)o1 408961466 CKTUJQHUHAFXON-UDWIEESQSA-N 435.461 5.063 30 40 IKEB Fc1ccc(COc2ccc(Cl)cc2/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1 409031506 AUYBUMJJQTXGTP-FLUNURKVSA-N 446.725 5.772 30 40 IKEB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2/C=N/c2ccccc2)c([N+](=O)[O-])c1 409211947 OUBTVZAUVQQTNT-CIAFOILYSA-N 442.225 5.808 30 40 IKEB Oc1cccc(/N=C/c2cc(Cc3ccc(O)c(/C=N/c4cccc(O)c4)c3)ccc2O)c1 1068642 UOAMGJDMPVMDBH-LPHFKDDMSA-N 438.483 5.601 30 40 IKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c(OC)c1 2418294 RQVBOYVJJZCQLX-AQHIEDMUSA-N 440.854 5.692 30 40 IKEB O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)ccc1Br 3113105 KOIKQIOQBKDNCX-FOKLQQMPSA-N 440.228 6.055 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)c2C#N)C1 3187545 IHTOWHBDBBZZOW-OAHLLOKOSA-N 436.964 6.229 30 40 IKEB N#Cc1c(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)sc2c1CCC2 3443526 WBNYIMWLZXHSKJ-UHFFFAOYSA-N 448.598 5.511 30 40 IKEB C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C 4095752 MMNYKQIDRZNIKT-VSADUBDNSA-N 426.729 8.335 30 40 IKEB in-vitro N#Cc1c(N2CCCCC2)nc(NC2CCCCC2)c2c1CCN(Cc1ccccc1)C2 6229279 NSNPCYRQQKEXFP-UHFFFAOYSA-N 429.612 5.246 30 40 IKEB CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)S/C1=N\c1ccc(C)cc1 8438037 DQXVIDBRVRIHAD-UINIZAEWSA-N 430.573 6.561 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Br)cc1 8821177 OTQCFRUDMPJSCN-AUWJEWJLSA-N 428.138 5.648 30 40 IKEB CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(OC)cc([N+](=O)[O-])c1O 9046635 XJCJSGVSPMHNKI-FOKLQQMPSA-N 440.477 5.273 30 40 IKEB N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1/NC(=O)N(c2ccccc2)C1=O 9260712 MIPXVWUCLJUECP-PCLIKHOPSA-N 445.478 5.388 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC 9295634 OBYLQELKWCYVSP-KGENOOAVSA-N 441.574 5.060 30 40 IKEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 9329487 ZTZNHFCQSNIKHH-JVWAILMASA-N 446.503 5.356 30 40 IKEB CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)Nc3ccc(C#N)cc3)ccc21 9805846 JQVHQIWDFKPLBY-GOSISDBHSA-N 438.531 5.680 30 40 IKEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 12346911 WQOFDWNGZPMCLV-OAQYLSRUSA-N 429.520 5.177 30 40 IKEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 17041237 HAQHFPKDKNJNHC-HXUWFJFHSA-N 447.535 5.487 30 40 IKEB COc1ccc([C@@H]2C/C(=N\c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 17146657 SPBGJDSPDBEMTN-BZMGOTJRSA-N 425.315 6.253 30 40 IKEB N#Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccc2)cc1 20523323 KTLNRAOEESBNJO-VYIQYICTSA-N 444.288 5.552 30 40 IKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O)CC(C)C 20648698 FTSBTGHEAVTOLG-BRJLIKDPSA-N 432.564 5.614 30 40 IKEB CN(CCN(C)/N=C/c1c(Cl)cccc1Cl)/N=C/c1c(Cl)cccc1Cl 25691491 AIQURGZGERKJGO-ASIDMNOUSA-N 432.182 5.532 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 35252624 LOTJJFAHXNXYMY-CQSZACIVSA-N 447.391 5.554 30 40 IKEB C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 36352130 SDKUGTDDYYBFSW-RSXGOPAZSA-N 446.934 6.156 30 40 IKEB C=C(C)CSc1nnc(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)s1 39976025 ARYUMAQZFJAVMX-IBGZPJMESA-N 441.647 5.399 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)c(C)c1 59474893 QXSBLAADXIGKRS-MFKUBSTISA-N 428.517 6.448 30 40 IKEB CCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCS/C2=N\c2ccccc2)cc1 71195244 OLEVIJGYKJZUEY-DQSJHHFOSA-N 438.600 6.338 30 40 IKEB C=CCn1c(SCc2cc(Br)ccc2F)nnc1-c1ccccc1OC 72042179 PYKLOZFTGDPIEF-UHFFFAOYSA-N 434.334 5.334 30 40 IKEB N#Cc1c(/N=C/c2ccccc2Br)sc(-c2ccccc2)c1-c1ccccc1 101206725 HVJZZDGWXGOSTM-JVWAILMASA-N 443.369 7.467 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N/c1ccc(F)cc1 101730057 MJXLWSRHRRLPKK-OYPKHVMMSA-N 436.464 5.408 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 118917158 CMCWTYNIVZMUIH-OUJPLRSTSA-N 430.554 7.701 30 40 IKEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226344861 TVKFBNPELPZUGW-UHFFFAOYSA-N 426.097 5.642 30 40 IKEB O=C1/C(=C/c2ccccc2O)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408535591 ZVUVEDLDKMTWJH-ORVWWNJKSA-N 441.339 6.508 30 40 IKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 408593056 OOKVTDHEQZQNBR-YDZHTSKRSA-N 441.281 5.487 30 40 IKEB Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1ccc(N(C)C)cc1 408742072 USEKATFJHHDZQG-OEAKJJBVSA-N 443.332 5.515 30 40 IKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(C)cc1 408908911 DZEFKZGVIBQUED-UHFFFAOYSA-N 432.903 6.089 30 40 IKEB CCCCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408915250 XMCSONXXSAERDD-LPCFMYKTSA-N 440.565 5.425 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Nc4ccccc4)cc3)c2C)c1 408966385 MKIZKSMCQNVLQO-VUTHCHCSSA-N 437.543 6.765 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br 409081633 HHGZFWRGSAMODD-HZZGJGATSA-N 431.399 6.292 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Br)c1O 409090263 LUXDHQRXXABAAS-DKZNWEEVSA-N 447.398 5.998 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409212740 QIONZSPUNLVUPF-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB Cc1ccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c(Br)c1 409250730 RWIFDDPUPGZJLL-JJFYIABZSA-N 433.143 6.839 30 40 IKEB COc1ccc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1Cl 409300533 ZNWBVDLNJRWIHK-UHFFFAOYSA-N 448.748 5.001 30 40 IKEB FC(F)(F)CCCCOB(OCCCCC(F)(F)F)OCCCCC(F)(F)F 1772820897 WXKNWAGKYWRBGI-UHFFFAOYSA-N 434.148 6.219 30 40 IKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/C=C/c4ccccc4OC)c3c2C1 2686994 OQMKVRXONMWMOV-YREGJCEZSA-N 434.609 6.352 30 40 IKEB Cc1ccccc1-c1nc2sc3c(c2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1)CCCC3 3146445 WRBUADIGSBJFGW-AFUMVMLFSA-N 444.516 5.103 30 40 IKEB O=c1c2oc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2ncn1/N=C/c1cccs1 8382951 OYGWISIQDFMKCR-RWPZCVJISA-N 448.507 5.815 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 8427292 WDIFZHDQNVMWOQ-SSDVNMTOSA-N 438.237 5.622 30 40 IKEB CCOc1ccc(Nc2oc(-c3ccc(COc4ccc(OC)cc4)o3)nc2C#N)cc1 8614952 BWPNYOQNOOJQRQ-UHFFFAOYSA-N 431.448 5.536 30 40 IKEB aggregator CCn1cc(/C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)c2cc(OC)ccc21 8993196 QHKGVINCSYUHQP-LGJNPRDNSA-N 425.484 5.865 30 40 IKEB C=C(C)C(=O)N(CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 9235174 IDXJTIWZDBAFJH-GDLZYMKVSA-N 448.651 5.866 30 40 IKEB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)/C(O)=N/c1nc(C(F)(F)F)n[nH]1 12736730 QFYBVQLVAZZPEV-JTQLQIEISA-N 429.752 5.220 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@]1(O)CCCc2ccccc21 13591453 NEWODRLGXDGQST-LJAQVGFWSA-N 448.591 6.603 30 40 IKEB C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S/C1=N\N=C(\C)c1ccc(F)cc1 13634315 QEDZPCJTDQBXSY-CWCGUGSYSA-N 449.473 5.297 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1 15016031 IPHUNEJHSDOCJV-HMAPJEAMSA-N 434.492 5.305 30 40 IKEB Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1ccccc1 16957596 DDJHJUVZEFZWQV-ISLYRVAYSA-N 447.563 6.867 30 40 IKEB in-vivo O=C(/N=C\NOCc1ccc(Cl)cc1Cl)NOCc1c(Cl)cccc1Cl 18101720 XMFZRFUHINORMI-UHFFFAOYSA-N 437.110 5.191 30 40 IKEB COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 19535992 CYJHZDKJBSGMPD-XMMPIXPASA-N 431.532 5.043 30 40 IKEB Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20649337 VIUPTGSGSRJIOU-OYKKKHCWSA-N 425.484 5.695 30 40 IKEB C=CCN(CC=C)C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)ccc21 27522741 XMSDBDKDQTVVLE-SANMLTNESA-N 436.599 6.319 30 40 IKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)cc1 33587657 MRPWWQUBTFOASD-CSKARUKUSA-N 428.315 5.986 30 40 IKEB CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 36611433 WXUXPDLOQYTIPZ-LSFURLLWSA-N 430.839 5.117 30 40 IKEB Fc1c(C#Cc2ccccc2)c(F)c(C#Cc2ccccc2)c(F)c1C#Cc1ccccc1 90557762 NORDMBRIRRJRRY-UHFFFAOYSA-N 432.444 6.303 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C 253499437 HDTQUHRXMVKWMI-GCMMKGCVSA-N 442.728 8.638 30 40 IKEB biogenic CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3=O 256454169 XTDMMOAGCXHNPN-BHYXGAGOSA-N 442.728 7.738 30 40 IKEB Cc1c(Br)c(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccccc1 408851423 ZCQAXUZWXPFIEA-WPWMEQJKSA-N 435.409 7.655 30 40 IKEB CCCn1cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)c2ccccc21 408899369 UAXYJQWPTTUDPM-UHFFFAOYSA-N 432.564 5.111 30 40 IKEB CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N\c1c(C)cccc1C 408907641 OGZNDXUWVRQAMR-WZNPNLAZSA-N 436.580 7.234 30 40 IKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408962893 VRFVZIQIQKIZRG-VCHYOVAHSA-N 443.843 5.539 30 40 IKEB CCCCCCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408978624 NGDKGNHWQSLAHV-UHFFFAOYSA-N 432.524 6.632 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 409219031 MMWOHHULCDHSTE-CVKSISIWSA-N 438.365 6.794 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)NC2=O)cc(OC)c1OCc1ccc(Cl)cc1 409344641 HVHUAZWDOWSDDC-WOJGMQOQSA-N 431.966 5.145 30 40 IKEB Cc1cc(C)c2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3O)nc2c1 3032269 GIBJFKMENZBNNF-AUEPDCJTSA-N 448.391 5.090 30 40 IKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(/C)c4cccc([N+](=O)[O-])c4)c3c2C1 6462294 GIMBHBUJZDYZDL-JAYSCUBMSA-N 437.569 5.977 30 40 IKEB COc1ccc(C2=C(N3CCN(c4cc(Cl)ccc4C)CC3)c3ccccc3C2=O)cc1 8594444 VHKUGPWOSWDIPQ-UHFFFAOYSA-N 444.962 5.544 30 40 IKEB aggregator O=[N+]([O-])c1cc(Br)ccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 8811466 MXMYRRJKMAHACG-SSDVNMTOSA-N 434.677 5.394 30 40 IKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C(=O)N1CC 8821658 AAMTVNPOPSFPSV-MZURAFEFSA-N 444.984 5.630 30 40 IKEB C=CCn1c(SCC(=O)N2CCSc3ccccc32)nnc1-c1ccc(Cl)cc1 9767643 GGCBQTSIKCAZDC-UHFFFAOYSA-N 442.997 5.016 30 40 IKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 13617278 LEHKLFXCYIZPJE-AEOQXANVSA-N 443.616 6.481 30 40 IKEB CC[C@H](C)c1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c(O)c1 18192895 RTRFFZMSJVVNDA-WBILBPDKSA-N 438.365 6.715 30 40 IKEB CCCCCCCCCCOc1ccc(/C=N/c2ccc(CCCCCCCC)cc2)cc1 68569039 VTZYYXURALVDRX-QVAGMWBUSA-N 449.723 9.860 30 40 IKEB O=C1C(c2ccccc2)=C(c2ccccc2)[C@H]2c3cccc4cccc(c34)[C@]12N1CCCC1 68752382 LIFGSDXTAOHPPE-BVRKHOPBSA-N 427.547 6.422 30 40 IKEB O=C1CCCC2=C1C(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o1)C1=C(CCCC1=O)N2 408600722 FMBOOFCMXBLPJQ-UHFFFAOYSA-N 438.867 5.209 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)S2)cc1 408759575 HIDUKSALEJZDOQ-STZFKDTASA-N 432.501 5.187 30 40 IKEB Cc1cc(N=C2NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc(C)c1Br 408765258 OQZCDOGEXNMGBO-BOPFTXTBSA-N 430.371 5.024 30 40 IKEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C)cc1 408907997 AEMGSCLJSBPVGW-QQXSKIMKSA-N 431.492 5.665 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O 408939294 MGVBRIPYDRSOKU-ROXLPIEOSA-N 444.962 6.940 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 409170088 SVBNVZQSDTUYEV-OEAKJJBVSA-N 426.497 5.374 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409211222 LFIFELBUMIMLRZ-MZJWZYIUSA-N 437.923 6.383 30 40 IKEB COc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1OCC(C)(C)C 409308199 WPWXPICPKVEAQQ-UHFFFAOYSA-N 447.579 5.760 30 40 IKEB C=CCOc1ccc(C=Nn2c([C@@H](C)CC)nc3ccc(Br)cc3c2=O)cc1 409322167 KWNLNWCKMFISBS-HNNXBMFYSA-N 440.341 5.120 30 40 IKEB Oc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1-c1nc2ccccc2o1 1881326 MDKGJFFPBGMVRW-AUEPDCJTSA-N 443.684 6.073 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3C(=O)c3ccccc3)c2C#N)C1 2744320 JKKZDNGUKYWROQ-SFHVURJKSA-N 442.584 6.254 30 40 IKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc([N+](=O)[O-])c1O 3236737 SZYNVFSYCFCPJU-UHFFFAOYSA-N 445.899 5.354 30 40 IKEB CC(C)(C)C(=O)/C=C(O)/C(=C/C(=O)C(C)(C)C)NN=C(c1ccccc1)c1ccccc1 5544622 NFTNSKMJKCHGQV-SVJWQLCWSA-N 432.564 5.585 30 40 IKEB C/C(=N\OC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(C(C)C)cc1 8454629 QWWRJVFHVPGQED-NJZRLIGZSA-N 436.555 7.223 30 40 IKEB C/C(=C/C(=O)c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1 8655851 QBNDLZPWGPIVIC-MRCUWXFGSA-N 438.617 8.275 30 40 IKEB O=c1oc2ccc3ccccc3c2cc1-c1csc(N/N=C/c2ccc([N+](=O)[O-])cc2)n1 8934332 GLRDPQZDDBSERX-WYMPLXKRSA-N 442.456 5.424 30 40 IKEB Clc1ccc(-c2[nH]c(-c3cccc(C#Cc4ccccc4)c3)nc2-c2ccccc2)cc1 8996963 YJGDKEUHTZMXGH-UHFFFAOYSA-N 430.938 7.464 30 40 IKEB CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 9241464 TVYGVLXBISWPIF-IBGZPJMESA-N 436.508 5.363 30 40 IKEB CCCCOc1ccc(/C=N/CCCCCC/N=C/c2ccc(OCCCC)cc2)cc1 12410700 YVCZIWWQPNEJPY-HCTXVGCHSA-N 436.640 7.143 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\c2cccc([N+](=O)[O-])c2O)C(=O)N1c1ccccc1C 15018379 CMLRLSCKBXPNQA-TUIQHYKLSA-N 445.500 5.726 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1ccco1 15826246 GIPNFANJLQXWMG-DEOSSOPVSA-N 427.504 6.128 30 40 IKEB Cc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1ccco1 16282699 JDEHPFUTJPDYQZ-LSHDLFTRSA-N 433.689 5.712 30 40 IKEB COc1ccccc1NC(=S)N/N=C/c1cc(/N=N/c2ccccc2)cc(OC)c1O 18269612 PKAMBVZMTDOTKZ-HRRUJZEASA-N 435.509 5.145 30 40 IKEB COc1ccc(OC)c(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)c1 19820328 DHECCTJIWJXHRF-UHFFFAOYSA-N 434.565 5.795 30 40 IKEB COc1ccc(CN/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1OC 20196095 YQJDHKRXZXEFDH-OGLMXYFKSA-N 426.516 5.560 30 40 IKEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C 33778404 CDXJUQBIWLTTQX-VULFUBBASA-N 441.000 5.144 30 40 IKEB Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1c2ccccc2cc2ccccc12 96305847 GJVKQYOBCAMLON-MUFRIFMGSA-N 445.547 6.622 30 40 IKEB CCCCCCCOc1ccc(-c2noc(-c3ccc(CCCCCCC)cc3)n2)cc1 98044769 ZIYBYCXHOMGSPQ-UHFFFAOYSA-N 434.624 8.266 30 40 IKEB CCCCCCCCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2CCCCCCCC)cc1 100023038 NWIFRDQEAOJOGK-UKILVPOCSA-N 428.661 7.102 30 40 IKEB O=C1/C(=C2\Sc3c(ccc4cccc(Cl)c34)C2=O)Nc2ccc(Br)cc21 100524362 MJURASYNFLAELQ-CAPFRKAQSA-N 442.721 6.064 30 40 IKEB CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O 100777501 LTVDFSLWFKLJDQ-UETOGOEVSA-N 446.716 7.761 30 40 IKEB endogenous,in-man C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 102681580 SDKUGTDDYYBFSW-AHWVRZQESA-N 446.934 6.156 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(C)o4)[C@@H]3c3ccc(C)o3)sc2c1 102693934 FBLPMMQKFOSGMI-NHFXJNLRSA-N 448.500 5.288 30 40 IKEB O=S(=O)(c1ccc(/N=C\c2cccs2)cc1)c1ccc(/N=C/c2cccs2)cc1 104203680 ATGSMFVSXNRYQU-REPVBDINSA-N 436.583 6.144 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)c1C 223553900 YTNMCCFKQMRDJV-YNJLWJOVSA-N 447.648 6.696 30 40 IKEB Cc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C 408863158 PTVKAYPVJRNMLW-JFLMPSFJSA-N 445.636 5.633 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1C 408912368 NGIDSRVLRBRRGQ-DOGKOTLKSA-N 446.547 6.201 30 40 IKEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 408913411 QRAMTIIOWGXGQL-RZZGQMAMSA-N 428.513 5.672 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 408999416 KVRTXHUYXOLVIA-HYARGMPZSA-N 431.561 5.611 30 40 IKEB Cc1ccccc1C(=O)Oc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 409023931 FOUXXBGATRNLPK-VULFUBBASA-N 447.947 6.437 30 40 IKEB CC[C@@H](C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409404302 PEADCZMUSJXJIQ-QGZVFWFLSA-N 431.923 5.776 30 40 IKEB C=CCc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 3660974 HPLVLGURSHDTID-JVWAILMASA-N 434.377 7.124 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)cc1 6474303 UDGIGFRFKQEWTH-UHFFFAOYSA-N 439.515 6.157 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccco3)sc2c1 8744191 HQBSUXMKMRRYCF-SFHVURJKSA-N 436.514 5.296 30 40 IKEB N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Br)cc1F 8747783 SPHGPQZGQGWSKW-QGDJINRTSA-N 427.317 5.121 30 40 IKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3C)c3cc(Cl)c(O)cc3O2)N1 12715362 DWZPVAPVXDLQKE-KOSHJBKYSA-N 443.012 6.012 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 13080665 JITLHMFHAPIYMY-NRFANRHFSA-N 441.358 5.908 30 40 IKEB CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2cccc3ccccc23)C1=O 13617239 HUHMPQIMRFPRLA-BQHJCBTJSA-N 447.560 5.101 30 40 IKEB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C1=C(CCCC1=O)N2 14361053 RNKKQICEWXXNSW-HSZRJFAPSA-N 447.922 5.170 30 40 IKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)cc(Cl)c4O)cc3)oc2c1 15135040 IRKGDOMTNCFBRU-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)c1O 16688220 LMQPPHVBSGAURI-FMCGGJTJSA-N 435.461 5.432 30 40 IKEB Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 17094590 MXWQLAOLCWHNME-INIZCTEOSA-N 425.623 5.514 30 40 IKEB Cc1cc(Cl)ccc1OCc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)sc1C 19841794 WDRGRQMFAHHTEK-UHFFFAOYSA-N 437.996 6.382 30 40 IKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 33669054 AZSJDZBVRDJOCR-WGOQTCKBSA-N 435.524 6.544 30 40 IKEB COc1ccccc1/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59461557 RNPXDAFVIPVFEY-DAFNUICNSA-N 439.284 5.264 30 40 IKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1ccc(C(=O)O)cc1 97464869 FZCNCOBZPHSVAO-QLIPUSLZSA-N 438.892 5.532 30 40 IKEB CCCCCCCCCCCC[N+]1(CCCCCCCCCCCC)CCC[C@@H](C)C1 104157769 UXDJANHQHKRWCL-SSEXGKCCSA-N 436.833 10.075 30 40 IKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 106920947 QBXBEBVLSQZLFW-JWQCQUIFSA-N 444.604 5.716 30 40 IKEB C=CCOC(=O)/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 226336324 FPZZZMJGSSDEMB-RMKNXTFCSA-N 437.717 5.433 30 40 IKEB Oc1ccccc1[C@@H]1O[B@@-]2(c3ccccc3)Oc3ccccc3[C@@H](O2)P1c1ccccc1 245380768 LAMSCGQCKVKHMM-RBSOPIHNSA-N 439.236 5.182 30 40 IKEB CSc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 408725864 LFZBPBDHAQDEDA-JTUXUYRKSA-N 430.598 6.081 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(-c2ccccc2)n1-c1ccccc1 408772207 FHAPDWNQDARUAL-MOHJPFBDSA-N 435.552 6.344 30 40 IKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C1=O)OCO2 408870171 SBEOMOYNNLSJGH-KIUOEUNASA-N 434.561 5.906 30 40 IKEB COc1ccc(-c2oc(/N=C/c3c[nH]c4ccccc34)c(C#N)c2-c2ccc(OC)cc2)cc1 408919440 XZPJIGFEEDSJEX-KBVAKVRCSA-N 447.494 6.734 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1O 408939289 MGVBRIPYDRSOKU-BXYIYPKISA-N 444.962 6.940 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1O 408969066 GQVXFJCGFJLCCW-WGOQTCKBSA-N 434.561 6.124 30 40 IKEB Fc1ccc(COc2cccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)c2)cc1 409069413 XPDPRVFJONJZIG-AJBULDERSA-N 447.513 7.008 30 40 IKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409098576 QSCACOFTNGSSSL-FJEPWZHXSA-N 435.449 6.587 30 40 IKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1O 409103736 FIIQGULHSKPQOS-SSDVNMTOSA-N 447.672 6.259 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)c(Cl)c2)cc1 409215846 FSICKBFPAMQPFJ-JVWAILMASA-N 449.959 6.628 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCC 409328815 AYFCWDIEUGLSNL-ZHZULCJRSA-N 443.565 5.757 30 40 IKEB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)ON1C(=O)CCC1=O 1570003514 AWUMFVFMQMCKHT-DCFBTPTBSA-N 425.569 6.072 30 40 IKEB Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1445386 QDJOTKIJRDKOTD-OAQYLSRUSA-N 448.862 5.340 30 40 IKEB Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCCCC1 2245082 UOADOWYMLNCDKJ-OVVQPSECSA-N 449.392 6.486 30 40 IKEB N#Cc1ccc(C(=O)Sc2ccc(Cl)c(SC(=O)c3ccc(C#N)cc3)c2)cc1 8430992 MLPFWDJLWLOINJ-UHFFFAOYSA-N 434.929 5.948 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(Br)c1OCC 9233676 CIMKPWCYDIVTHT-SFQUDFHCSA-N 447.354 5.138 30 40 IKEB CCOc1c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cccc1OC 9763000 NDDNXPBVFUQIJI-KFLOGIKRSA-N 444.556 5.898 30 40 IKEB N#C[C@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@H](O)c1ccc(-c2ccccc2)cc1 12526607 MQMNMFLOTFXECD-ZEQKJWHPSA-N 431.967 5.002 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccc(Oc2ccc(Cl)cc2)c1 12569945 NNOZAVLJGQQRRV-BRJLIKDPSA-N 435.789 6.505 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1)c1ccc(C(C)(C)C)cc1 13424543 JLSOXMAUTHLLGO-TWKHWXDSSA-N 439.628 7.535 30 40 IKEB COc1ccccc1[C@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2ccc3ncccc3c21 14945044 HTODOGDMKHAXPQ-HMILPKGGSA-N 432.523 6.202 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2cccc(C(=O)O)c2)o1 15930791 DBIDGRCYPDMKMQ-DEOSSOPVSA-N 428.488 5.867 30 40 IKEB O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 15978847 MWWMRRUDDGMJNC-FNORWQNLSA-N 431.395 5.451 30 40 IKEB C=CCc1cc(C(=C/C)/C(=C/C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC(C)=O 17303457 JYHPJEHAFFAGBR-GEHPDYRDSA-N 430.544 6.501 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O 19881091 SYSLHZGKUNLUIS-GRKNNNIHSA-N 442.968 5.522 30 40 IKEB COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1COc1ccc(Cl)cc1 19894078 VSDUCNSGSYJZTI-UHFFFAOYSA-N 426.925 5.730 30 40 IKEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 78870169 DZKXYCPUMLCATK-OAQYLSRUSA-N 437.975 5.098 30 40 IKEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)c1 83316821 ZXVDCOSNSZQGPO-OYKKKHCWSA-N 446.547 5.782 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=N/OCCC#N 118927003 WIZOEYDUOXKTRB-QCHZGNEASA-N 440.628 6.147 30 40 IKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 226333904 MVNQAUHVHOQNLB-XBXARRHUSA-N 442.136 6.077 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)S2)c1 408812199 CQCJZXCRDYAMEY-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 409066229 KMMJDOWBUNQQPN-RQZCQDPDSA-N 435.318 5.218 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1cccc(Cl)c1 409114430 JOGGDFBJLMZZNJ-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 409212535 MYXBMLWGBRYPJL-DHRITJCHSA-N 428.757 7.049 30 40 IKEB O=C1CSC(=S)N1/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409328907 AEPGNXRSRVRJGL-KSEXSDGBSA-N 426.950 5.266 30 40 IKEB Cc1c(/C=C2\Cc3ccccc3C2=O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409368729 JYJJPLMYUUQMMI-XMHGGMMESA-N 432.350 7.127 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2210099 SDAQVULZGDLZRJ-UHFFFAOYSA-N 428.601 6.065 30 40 IKEB c1ccc2c(c1)Cc1cc(N=C3CCC(=Nc4ccc5c(c4)Cc4ccccc4-5)CC3)ccc1-2 4428442 QANHLHJPIPVULF-UHFFFAOYSA-N 438.574 8.248 30 40 IKEB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1C 8441079 ZXCFHKTXRKRCRC-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820951 BQMCUGLSRAQBAJ-WOJGMQOQSA-N 448.853 6.510 30 40 IKEB Cc1ccn2c(/C=N/OCc3cccc(C(F)(F)F)c3)c(-c3ccc(Cl)cc3)nc2c1 8855356 BKQBBQYUKFZLBF-XODNFHPESA-N 443.856 6.533 30 40 IKEB CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2[C@H]1c1ccc(F)cc1 8965001 BTMOUTKVMTXKRI-SFHVURJKSA-N 440.927 5.774 30 40 IKEB COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 9019320 FUBHKXHBINXWTC-JOCHJYFZSA-N 433.891 5.440 30 40 IKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 11869034 FYNBSVPJWWVETR-WSHPORRNSA-N 437.278 6.228 30 40 IKEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCCCCCC(C)C)cc1 12401391 VZPIYBMYVKNQKG-HAVVHWLPSA-N 428.489 5.934 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1ccccc1 12652072 DNZMYUGACKGLFJ-DEOSSOPVSA-N 428.557 6.205 30 40 IKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(F)cc2)[C@H]3c2ccccc2)cc1 12952261 DBZUMVUNZTXCPW-WHNPURCTSA-N 436.482 7.038 30 40 IKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cc(OC)ccc2OC)cc1 13148371 NVQIHOXUVYTHOU-RVDMUPIBSA-N 440.499 5.461 30 40 IKEB COc1cc2c(cc1OC)[C@H](c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)N2 18197153 KIAOTBPHMURIHE-MHZLTWQESA-N 441.527 5.847 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N\Nc3nc4ccccc4s3)c2)cc1C 35415577 NHCPPJWOIKBRJX-QFEZKATASA-N 430.533 5.377 30 40 IKEB COc1ccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C#N)cc3)N2)cc1 80324783 DOFKCSOVVDYOFQ-UPVQGACJSA-N 446.348 5.552 30 40 IKEB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)/C=C/Nc3ccccc3Cl)c2)n1 91695714 MUCWADBJUOVDEN-ZHACJKMWSA-N 445.872 6.295 30 40 IKEB CCCCCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1 97958846 WZZYFYYJSCDNGW-NLPPSYTOSA-N 438.528 6.065 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1O 98086864 LIGHNHBFIGLEST-SSDVNMTOSA-N 429.270 5.068 30 40 IKEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 102727301 JEOOHVQHZYKLPK-YDJIHCHBSA-N 434.835 5.009 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1 102858054 ORDFAXRQDNMFJA-NHFXJNLRSA-N 442.298 5.517 30 40 IKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\c2c(-c3ccco3)nc3ccccn23)o1 102874248 DDVNIZFMKOWAJV-OYKKKHCWSA-N 428.404 5.522 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 104190277 CLNFXIVJWWQZBD-YDJIHCHBSA-N 432.545 5.375 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H](OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118914832 TUEREPUZRGDETH-QSDGFMTPSA-N 436.592 5.645 30 40 IKEB COc1ccc(C2C3=C(CCCC3=O)N(Cc3ccccc3)C3=C2C(=O)CCC3)cc1OC 408900455 YMUFCIGVOBOHHN-UHFFFAOYSA-N 443.543 5.317 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2CC)N(C)C1=O 408909397 CSXGTCOWBCZBRU-UINIZAEWSA-N 430.573 6.425 30 40 IKEB C=CCOc1ccc(C2C3=C(CCCC3=O)N(CCC)C3=C2C(=O)CCC3)cc1OCC 408923308 PGZVEHWLGSAPJW-UHFFFAOYSA-N 435.564 5.474 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 409208356 FJZWMAOYCKUENU-DHRITJCHSA-N 428.301 6.235 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1F 409218344 ULQSPIJJMJLLBV-DHRITJCHSA-N 428.301 6.235 30 40 IKEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2ccc(CC(C)C)s2)n1 585293556 ITSBQRVNKHGDOV-DEOSSOPVSA-N 446.624 5.783 30 40 IKEB Clc1ccccc1CC/N=C1/NCCCCCCOc2ccccc2Oc2ncccc21 643589365 WHUVCHKLNSKNER-UHFFFAOYSA-N 449.982 6.059 30 40 IKEB CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1103542 LZEHYRKJLJNDJP-HSZRJFAPSA-N 444.506 5.297 30 40 IKEB COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1389884 DXLYZZLPYZKKCY-UHFFFAOYSA-N 442.441 5.696 30 40 IKEB CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 1413306 HTCTYIXEIVFTFI-JOCHJYFZSA-N 432.907 5.189 30 40 IKEB O=C(Nc1cccc(/N=C/c2c(O)ccc3cc([N+](=O)[O-])ccc23)c1)c1ccc(F)cc1 1502286 QFEZWFRCHPQZST-VULFUBBASA-N 429.407 5.596 30 40 IKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 2176700 NCOQVWMWODYLAI-UHFFFAOYSA-N 448.346 6.311 30 40 IKEB O=C(Oc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1)c1ccccc1Cl 2229290 FEVMEEQGGGJKFT-UHFFFAOYSA-N 438.266 5.501 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2407410 GKIPIMAHLAFRFW-UHFFFAOYSA-N 439.563 5.508 30 40 IKEB Clc1ccc(Cl)c(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c1 3115320 FVDJCYBXKASMQK-BHGWPJFGSA-N 446.131 7.315 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OCc4ccccc4OC)ccc3C2=O)c2ccccc21 9422462 DYAJMHFFXWIEHA-VULFUBBASA-N 425.484 5.865 30 40 IKEB CC(C)c1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc3c2CCC3)cc1 9968633 OCSVRSQSNVXWFK-UHFFFAOYSA-N 427.573 5.963 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCCC)cc2)cc1 12194208 XDMYLYYKULHGBB-IXCJQBJRSA-N 440.543 6.283 30 40 IKEB N#Cc1ccccc1CSCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 12757235 RGKVPMLJMVKWKK-PMACEKPBSA-N 435.618 5.491 30 40 IKEB Cc1cccc2cc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c(Cl)nc12 13810987 UICQHTWMDRCNIF-LUOAPIJWSA-N 429.936 6.314 30 40 IKEB CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 22001440 ZXQYGBMAQZUVMI-USPYJIPSSA-N 449.856 6.544 30 40 IKEB in-vitro Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)CCC[C@H]5[C@@H]4CC[C@@H]3C2)cc1 32106727 DJKUHJBPRWSFHW-BDCYMFRLSA-N 430.654 6.502 30 40 IKEB COc1ccc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 36612259 FJIRFWDJPBXNKB-UTBSFMFSSA-N 430.544 5.739 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1ccc(Cl)cc1Cl 59422060 UUZVVXUCOREXLX-WYMPLXKRSA-N 442.327 6.268 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3C)c(C)c2s1 72228839 MCQJPHTVNUOHPY-UHFFFAOYSA-N 430.961 5.700 30 40 IKEB COc1ccc([C@H]2C/C(=N/c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 100349590 SPBGJDSPDBEMTN-GRKCXVTJSA-N 425.315 6.253 30 40 IKEB CCOC(=O)C(C)(/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C)/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366590 HTMLPIZSIGYYRQ-IZGAAIQQSA-N 426.597 5.459 30 40 IKEB CC(C)(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102586959 QCSDCGJXIZDHRH-HOGKFDNTSA-N 449.934 5.852 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 408632648 GHSPYQWJNSSLGZ-XKZIYDEJSA-N 427.485 5.231 30 40 IKEB O=C(NCc1ccccc1)c1c(/N=C/c2ccc(OC(F)F)cc2)sc2c1CCCC2 409154830 OPRLPBKYNMAWDA-RWPZCVJISA-N 440.515 5.909 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409199907 FOAAWMSNOQEWEE-WSDLNYQXSA-N 427.800 5.708 30 40 IKEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1Cl 409212187 PWXOPKNOUZMRAG-ZMFRSBBQSA-N 427.331 6.378 30 40 IKEB C=CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1 409357689 CSFXOFIMJLZCBH-UHFFFAOYSA-N 445.013 5.282 30 40 IKEB O=C(c1cc(OC(F)(F)F)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242661 BUMIMXPRSIARAC-UHFFFAOYSA-N 442.583 5.890 30 40 IKEB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C 1427386 AITJTURKCCCOIZ-MZKRTTBSSA-N 441.402 7.134 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2188584 CMLPCGAZLNCEMU-MYXOLNAJSA-N 442.540 5.899 30 40 IKEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 2448277 LMMGFKVLNSWBSH-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 8415091 ASMXLAJFKACSDY-NRFANRHFSA-N 428.866 5.225 30 40 IKEB CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 9272479 HJFUXBSXJKJLGI-JOCHJYFZSA-N 446.890 5.081 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccc(F)cc1 9425505 WVGDDYBEUJOQAA-JFLMPSFJSA-N 447.535 6.291 30 40 IKEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 16741365 UQXFYDZYUFUNOG-XMMPIXPASA-N 431.532 5.448 30 40 IKEB COc1c2c(cc3c1[C@@H](C#CCOc1cc(C)c(Cl)cc1C(C)C)N(C)CC3)OCO2 20410459 SCRVHZJAEBYCPQ-HXUWFJFHSA-N 441.955 5.121 30 40 IKEB biogenic C=CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 27489067 NGXZIJVSPYQWFT-DEOSSOPVSA-N 433.338 6.873 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c2cc(OC)ccc21 28182800 CYWOHMRXGGESRQ-MHBHXDGASA-N 446.547 5.224 30 40 IKEB C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1[C@H](C)Oc1ccccc1 32604153 OMDVLVGHDPWCSW-IBGZPJMESA-N 436.581 5.138 30 40 IKEB CCOc1ccc(CC(NCCc2ccccc2)=C2C(=O)CC(C)(C)CC2=O)cc1OCC 100148062 BTOXZDWXMCWYDO-UHFFFAOYSA-N 449.591 5.071 30 40 IKEB Cc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4cccs4)[C@H]3c3ccccc3)sc2c1 102527632 YLYSEOKMGHQHQR-LFVOPCPISA-N 432.526 5.293 30 40 IKEB Cc1ccc(C)c(-n2c(C)cc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1 108093911 GDSZXAFRYOSROR-UXHLAJHPSA-N 446.554 5.970 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)cc2)cc1 223562766 MASJTXOCJYLRBU-FRDWBBKPSA-N 442.603 7.739 30 40 IKEB COc1cc(/C=N/c2sc(C)c(C)c2C#N)cc(Cl)c1OCc1ccc(Cl)cc1 408806463 AVMGSPHPLQWYBS-KBKYJPHKSA-N 445.371 6.882 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 409017403 ZDOFVGXFIGANOJ-LFVJCYFKSA-N 425.326 5.947 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br 409199401 CLYHOODRUYOWEQ-NUQBIFGMSA-N 439.419 5.716 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1Cl 409203127 UPKWNJBVIKUPKV-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409214049 XHJDVSPQYCCUQS-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(C)C)O[C@@H]1c1cc(C(=O)O)ccc1OC 585263903 DPVQLABEKRQKPQ-SHBJFUFKSA-N 428.956 6.509 30 40 IKEB N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCCCn1ccnc1 2429009 YZHDZFLNWPDUAT-UHFFFAOYSA-N 433.899 5.144 30 40 IKEB Cc1cc(-c2ccc(/C=C3/S/C(=N/c4ccccc4Cl)NC3=O)o2)ccc1[N+](=O)[O-] 4177384 WHWAPFYASGRGBF-YBFXNURJSA-N 439.880 5.708 30 40 IKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2cc(C)ccc2C(C)C)CC1=O 4910378 HLVDEGOYHNJLMV-OAQYLSRUSA-N 431.580 5.439 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)c(OC)c1 8820734 ZQEDEEDZDJJDDF-APSNUPSMSA-N 442.846 5.268 30 40 IKEB C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 9632068 IRJNNDRVKASULE-UHFFFAOYSA-N 449.605 5.064 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1C 12274889 UDEQVWFEUJUIQJ-YBFXNURJSA-N 443.355 6.762 30 40 IKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1cc(F)cc(F)c1 14163705 QKFQRHGPTLWXNP-SPSFWMDKSA-N 439.893 6.058 30 40 IKEB N#Cc1c(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cn2ccccc12 14728656 KBHILAZQLPHJAS-UHFFFAOYSA-N 425.492 5.490 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1 20149624 NNBDHSAJFZCAHM-DEOSSOPVSA-N 446.547 5.086 30 40 IKEB N#Cc1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 30684093 QNZADJIHGAYPLV-YWIDBZNQSA-N 439.496 5.061 30 40 IKEB COc1cc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3[nH]2)cc(OC)c1OC 32642215 KTRNYPRSSCPNEQ-PDGQHHTCSA-N 432.451 5.151 30 40 IKEB C[C@H]1CCCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)C1 33324472 BFDQSXGTUVUUFP-AWEZNQCLSA-N 442.313 5.384 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1C 35646320 MSYHNPCFBSCFMO-JAIQZWGSSA-N 443.355 6.762 30 40 IKEB Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccccc2C)c1 44858752 CTQHTDAGXNQTDA-XMMPIXPASA-N 440.547 5.410 30 40 IKEB C(=N/Nc1ccccc1)\c1cc(/C=N/Nc2ccccc2)cc(/C=N/Nc2ccccc2)c1 103451433 AYMZXHWYWBFPMT-YILJOUTGSA-N 432.531 6.025 30 40 IKEB C=C[C@H](C)N1C(=O)S/C(=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1=O 108195047 CYHTUBGRSXTHRA-GLFIFPSUSA-N 446.528 5.087 30 40 IKEB CC1(C)OB([C@@H]2C=CC=C[C@@]2(/C=C\c2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C 221264726 JIVNRTMPQKZINX-OZNCMRBVSA-N 434.194 6.121 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722054 CPXXRYCUATYRPP-CVKSISIWSA-N 431.492 6.837 30 40 IKEB CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408941174 OUAVVNZYWXPSCU-DDEBHVINSA-N 442.990 7.706 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OC 409057098 INUXYLAISIZMGL-PDGQHHTCSA-N 431.897 5.163 30 40 IKEB C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OCC)c1OCCC 409065207 ICMQUAKVHWMWHZ-UHFFFAOYSA-N 436.548 5.731 30 40 IKEB COC(=O)COc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 409173343 PENKOPLJJGOGSS-STBIYBPSSA-N 436.467 5.788 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 409200254 HHKMKXYZYRFKDD-KBKYJPHKSA-N 439.169 7.938 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 409212637 RQIAGGHNGRRRCJ-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB Cc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 409213378 TZRPKTIPRUWPMB-RPPGKUMJSA-N 434.801 7.118 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409215929 GNPUZWRHADRFEE-UVHMKAGCSA-N 448.828 7.372 30 40 IKEB Cc1ccc(-c2ccc(/C=N/c3ccc(Oc4ccccc4C)cc3)o2)c(Br)c1 409240672 QXKNQYOQMWMPNM-JVWAILMASA-N 446.344 7.869 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O 2164636 YVEOFOWVGGOEFV-UUYOSTAYSA-N 446.915 6.032 30 40 IKEB CCCOc1ccc(/C=N/Nc2cc(C)nc(-c3ccc(Br)cc3)n2)c(O)c1 6500669 HZCRIIWZMQNDPD-YDZHTSKRSA-N 441.329 5.155 30 40 IKEB O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccccc1)c1ccccc1Cl 9403937 QBJWWEBMFQELOP-UHFFFAOYSA-O 433.887 5.280 30 40 IKEB Cc1cc(SCC(=O)Nc2c(Cl)cccc2Cl)n2c(nc3ccccc32)c1C#N 9588031 WCOGGQKFULOXCY-UHFFFAOYSA-N 441.343 5.705 30 40 IKEB COc1cccc([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1OC 13567877 HKMFMIXEBNMYMP-HNNXBMFYSA-N 445.437 5.250 30 40 IKEB COC(=O)c1ccc(/N=C2/S/C(=C\c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 13689500 WEVCKVMWAVHJNI-CQJVDGAYSA-N 438.549 5.147 30 40 IKEB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)o1 27934910 CTYYNQLBIJGRKX-UHFFFAOYSA-N 435.299 5.262 30 40 IKEB CCNC(=O)O/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)NCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 31829766 ODSCMQMBEHYDCG-JEVPLTEYSA-N 445.604 5.166 30 40 IKEB COc1ccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 57223517 YQOVKDKXADMPFV-BTRCZGFISA-N 436.533 5.361 30 40 IKEB CCCCCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1 100884671 UOGNPLXRAUFTIC-QUPMIFSKSA-N 435.608 7.292 30 40 IKEB CCCCCCCCCCC/C(=N\O)c1ccc(OCCCCCCCCCC)cc1O 100922071 ZXONIAIFOGJWPL-ORIPQNMZSA-N 447.704 9.011 30 40 IKEB CCCCCCCCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 101000003 HMIYTFZPSNTEIO-VZCXRCSSSA-N 447.666 6.352 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)cc1OCc1ccccc1 408915514 WUAMZBRJZNCDPP-UHFFFAOYSA-N 449.300 5.499 30 40 IKEB Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408937478 GPUZZNRQDONVBM-OGLMXYFKSA-N 443.934 6.618 30 40 IKEB Oc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1I 408962319 HHRAMCWDJVKJFU-YDZHTSKRSA-N 439.252 6.161 30 40 IKEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(C)cc1 409036525 LLHOQARPDUPGPV-NCAUGAEKSA-N 438.343 5.297 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3ccc(Sc4ccc(Cl)cc4)cc3)cc2)cc1 409098007 OPDGTLAFVWHUGT-MTDXEUNCSA-N 429.972 8.343 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC(C)C)c1 1531351467 TXLPWFDQCZJABU-MMTYYTLLSA-N 442.357 5.342 30 40 IKEB CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 689050 WBYPPWIYOVLUKO-UHFFFAOYSA-N 443.543 5.365 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 2189425 KBJYLXCDJFHQBD-HAHDFKILSA-N 430.577 5.360 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@@H]([C@H](C)O)[C@](C)(CCCO)[C@]3(CC[C@]12C)O4 4293440 FQVYPFDSTMDZMU-LDERPEMCSA-N 448.732 6.743 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(Nc2ccccc2)n1 8707744 VZPYYJPVJBTVHX-UHFFFAOYSA-N 449.605 5.844 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 8809789 CWPKVJRKDYJFFN-CQVHFZKNSA-N 433.382 7.879 30 40 IKEB Fc1ccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)cc1 9196059 NLIMYYHRAAGOAP-KKMKTNMSSA-N 426.322 6.259 30 40 IKEB COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1 9344881 XMHJAHMAVCZNBK-NXUGVVLJSA-N 449.580 5.049 30 40 IKEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 9426944 AZZZFGLKNPZTDL-LSFURLLWSA-N 436.320 5.432 30 40 IKEB O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OCc3ccc(Br)cc3)ccc21 11869307 KYNVTYGRVVIZJL-NHDPSOOVSA-N 425.253 5.783 30 40 IKEB CSc1nc2ccc(/N=C/c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)cc2s1 12428204 MJVRWGWESRIFNK-SRZZPIQSSA-N 441.563 5.562 30 40 IKEB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cn1/N=C/c1ccccc1 12548774 BXUFXLYYXXVEEA-CVKSISIWSA-N 430.895 5.103 30 40 IKEB C(=N/N1CCN(c2ccccn2)CC1)\C1=C(Sc2nc3ccccc3s2)CCCC1 12618346 CNHFBRBHWKWDPA-KOEQRZSOSA-N 435.622 5.420 30 40 IKEB C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1O)CC2=O 14711632 LTTQKYMNTNISSZ-HJPURHCSSA-N 438.520 5.610 30 40 IKEB biogenic,in-vivo O=C1/C(=C\Nc2ccc(Cl)cc2)[C@H](Nc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 16427862 UWKPRUGQGOONHN-GSERBOKHSA-N 445.733 6.656 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 19630407 VSKLXCJSVVBUIF-WNSKOXEYSA-N 439.602 5.657 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@H](C)C3)C2=O)c2ccccc21 20650222 NZJVEMLDYNICJQ-UKDLMXTDSA-N 430.548 5.461 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1ccc(Br)o1 21487065 LMSZHEVYYDSYBM-SRZZPIQSSA-N 442.294 5.317 30 40 IKEB N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 44088239 JYPRTAWBYQSXFG-UHFFFAOYSA-N 426.275 6.063 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1 48303602 MLFHYBQTDSFKGX-CSKARUKUSA-N 438.321 5.442 30 40 IKEB CC(=O)Nc1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 100070282 LWYANOKMLQUNNN-VULFUBBASA-N 448.931 6.483 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(C)n(C3CC3)c1C)C1=C(CC(C)(C)CC1=O)N2 101974207 DELCHVFJSPRIGE-RUZDIDTESA-N 440.591 6.135 30 40 IKEB O=C(Nc1cccc(/N=C/c2cc(Br)ccc2O)c1)c1cc2ccccc2o1 102417205 XDOKEYOMXWQIAA-ZMOGYAJESA-N 435.277 5.904 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408691566 FILQMSMVRLXQGP-MDWZMJQESA-N 441.354 7.176 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)ccc2O)C(=O)N1CC 408914101 SSVMJNLZGHESEV-FTIPTLOASA-N 431.355 5.341 30 40 IKEB C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1OCc1ccccc1 408932130 ULHHRPIZIQXGER-ZTKZIYFRSA-N 442.559 5.590 30 40 IKEB C=CCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409073820 IULYUQQRIANOOJ-HYARGMPZSA-N 446.484 5.549 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccc(C)cc1 409098022 NBVKCZGBQBVZHB-PXLXIMEGSA-N 437.561 5.757 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 409208044 ALLSPDXWQYOFHR-ZMOGYAJESA-N 439.309 6.304 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 409217242 TZUVPJJLVSDDPM-BUVRLJJBSA-N 445.924 5.266 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(C)n(Cc3ccccc3)c2C)S1 409236843 GFIQJFMCWDBLMY-LPYMAVHISA-N 435.980 6.007 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c2ccccc2cc2ccccc12 409408760 ZGNCSGJQZIVMRU-UHFFFAOYSA-N 425.491 6.252 30 40 IKEB Cc1cc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c(C)n1C(C)C 1531142569 COZKILLSOHZMDH-MSXFZWOLSA-N 443.389 5.338 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(CC)CC)cc1 2066316 UOHPYJANHWBUCN-DEOSSOPVSA-N 438.612 5.480 30 40 IKEB O=C1/C(=C/N(C(=O)c2cccc(Cl)c2)c2ccc(Cl)cc2)Sc2ccccc21 3166144 SCGKBQVRUNOTFJ-MOSHPQCFSA-N 426.324 6.470 30 40 IKEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2Oc2ccccc2)c1=O 3251464 BSFXUTFGUYNQED-UHFFFAOYSA-N 442.858 5.091 30 40 IKEB COc1ccc(CN2C(=O)/C(=C/c3ccc(Cl)cc3)S/C2=N/c2ccccc2)cc1 3331180 LWEBZEBSFVVPCX-MKIITAJQSA-N 434.948 6.153 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cccs1 3639478 AISMWPYDQOWCRL-FYSMJZIKSA-N 437.561 5.072 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl 6177260 SRSOJXJDJDRYLG-JSZUHDFRSA-N 431.319 5.224 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)nc1SCc1ccccc1 6446326 JWQHXXXSZFMKBY-UHFFFAOYSA-N 447.390 7.886 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1ccc(C)c(C)c1 8452251 WQVAFROCZAAHDK-CRUFNBOHSA-N 445.382 5.698 30 40 IKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)c2ccccc21 8990182 QOXRAPBNUSXXMI-ZMOGYAJESA-N 427.431 5.636 30 40 IKEB CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1coc2cc3c(cc12)CCC3 13096924 BZCVZPOWAYMTRN-UHFFFAOYSA-N 440.293 5.102 30 40 IKEB N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCCc3ccccc32)c1 13130043 CZNOAZKYQSRTBM-QHCPKHFHSA-N 441.556 5.096 30 40 IKEB Cn1cnnc1Sc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 15980928 YGCOJOQDHKRULJ-NTUHNPAUSA-N 448.548 5.818 30 40 IKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1 16431020 LCHXCIILDVDBTD-IOXBOXJCSA-N 449.291 5.555 30 40 IKEB CCn1cc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c2cc(OC)ccc21 28182551 RKYIULIMEAVBHM-WKIKZPBSSA-N 439.511 6.173 30 40 IKEB COc1cc(/C=N\Nc2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1Cl 31854449 SOSZFTSUIHOAQS-KSEXSDGBSA-N 429.929 5.341 30 40 IKEB Cc1c(Cc2ccc(Cl)cc2)c(NCc2ccccc2)n2c(nc3ccccc32)c1C#N 36626329 PJMGRRIBFCMKFC-UHFFFAOYSA-N 436.946 6.524 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 38179859 JZJDOJRXNXMHBO-WYMPLXKRSA-N 443.728 6.119 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1ccc(Cl)c(Cl)c1 59194441 ZJNZJUVYELLIQS-WYMPLXKRSA-N 442.327 6.268 30 40 IKEB N#Cc1c(SCC(=O)N2CCCC2)nc2c(c1-c1ccco1)CC/C2=C\c1ccco1 89794332 RYVCBNHFYMOMAT-DTQAZKPQSA-N 431.517 5.008 30 40 IKEB N#CCCn1cc(/C=C\C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c2ccccc21 96920717 KVDBIEOUNMXMCL-RRFNBQSRSA-N 443.597 5.865 30 40 IKEB COCc1cc(C)nc(SCC(=O)Nc2ccc(/N=N\c3ccccc3)cc2)c1C#N 100101317 BZKMWKOJZLQKNX-DQSJHHFOSA-N 431.521 5.554 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1OCC 214340022 FTOHARSPAQDQKS-XDHOZWIPSA-N 447.915 5.679 30 40 IKEB O/N=C(C(=N\N=C(C(=N\O)\c1ccccc1)/c1ccccc1)/c1ccccc1)\c1ccccc1 225620795 HYRFZPMJBRICST-VDPUQWCVSA-N 446.510 5.637 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)nc2ccccc21 408692682 SCRZTOLWQCKRQJ-DHRITJCHSA-N 426.351 6.217 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccccc1 408941360 VQBJBTOZVDNWPE-WMOWQXFYSA-N 440.565 5.123 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3C#N)S2)cc1 408966163 NBEXBVZVSVUMNO-OEAKJJBVSA-N 425.513 5.337 30 40 IKEB COc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409092539 WXUBSSVCXRUJSZ-REMUQMNCSA-N 431.399 6.292 30 40 IKEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 409099825 UIMJLXGPZKYWBF-ZMOGYAJESA-N 426.860 5.067 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O 409108695 YRUXNCPGRALHHA-WOJGMQOQSA-N 434.344 6.103 30 40 IKEB COc1cccc(/C=N\c2ccccc2Br)c1OCc1ccc(C(=O)O)cc1 409186509 DAVJPEMHWCVFQT-CFRMEGHHSA-N 440.293 5.486 30 40 IKEB COC(=O)c1ccccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409188122 AWQPXHTZPZMDCU-NEZLHVBRSA-N 446.572 6.568 30 40 IKEB COc1cccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1ccc(C(=O)O)cc1 409188537 ZZHOCBVZXXFEPE-WYMPLXKRSA-N 440.839 5.285 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409210062 KQSBHBNSHGFFDQ-KKMKTNMSSA-N 448.777 7.602 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409232750 PJCOYLIXQLOQMK-TURZUDJPSA-N 425.553 7.698 30 40 IKEB CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1780541 HRUACQBLVJKOMJ-ZXVVBBHZSA-N 442.588 6.299 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)SC1=S 2070416 WMGSTBDVSJYDJA-DEDYPNTBSA-N 445.993 5.705 30 40 IKEB C=CCNC(=O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 2678633 BCAZJMZWVQRQFY-QJOMJCCJSA-N 432.907 5.205 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)c1O 3139344 JHMBKYHLNBJGFG-AFUMVMLFSA-N 430.416 5.223 30 40 IKEB Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1ccc(C#N)cc1 9197833 VJFYXUVZCCJAQU-IPPBACCNSA-N 447.369 6.300 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1 9296483 CDXAPZWHOYAPTG-ZMOGYAJESA-N 437.908 5.624 30 40 IKEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O 9423150 JZYRRUGSSNMNQZ-ZMOGYAJESA-N 425.440 5.022 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C#N)C1 9762925 VNZAXTWKFAUXCE-CQSZACIVSA-N 429.586 5.427 30 40 IKEB CCC(=N\Nc1cccc(C(F)(F)F)c1)/C(CC)=N/Nc1cccc(C(F)(F)F)c1 12659603 NMJGTMPKXBHQCK-YAGSLNJISA-N 430.396 6.780 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C)cc1 13303907 PARCEWYDERHZNB-ZMPCKTLKSA-N 439.606 5.778 30 40 IKEB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)OCc1cn2ccccc2c1C#N 14728718 BBKKVOMIOPIKSB-ZHACJKMWSA-N 444.922 5.083 30 40 IKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O 16269549 MSCKFXVKMYTNCZ-YSURURNPSA-N 425.803 5.960 30 40 IKEB N/C(=N\OC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Cl)cc1Cl 16524895 OQJZSEOBQYODCN-UHFFFAOYSA-N 430.316 6.053 30 40 IKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C(C)=O)cc1 16688058 UTIRKROWPSRCQL-KEBDBYFISA-N 425.120 5.564 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 19867074 BVHGKMCFFRAWEG-CLOONOSVSA-N 431.532 5.008 30 40 IKEB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1 25391335 RVFQAHQGMZYNPS-GOSISDBHSA-N 441.531 5.053 30 40 IKEB CCCCCCCOc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 100171945 HXEZFBGOUCWENT-JBASAIQMSA-N 437.587 7.639 30 40 IKEB Cc1nn(-c2ccccn2)c2c1C(Cl)=C(/C=N/C(c1ccccc1)c1ccccc1)CC2 101647069 WJEIUWIAOUWHKK-UXHLAJHPSA-N 438.962 6.332 30 40 IKEB N#CCn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c2ccccc21 408634352 PXQYZICNOZKYJX-WQRHYEAKSA-N 436.880 5.086 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 408725210 FYTIBJFRYRMMIO-ZEHKLFRWSA-N 440.568 5.924 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N\c1ccccc1 408730431 QUPKHGHOQNMDPL-NVZLDUMVSA-N 431.473 5.645 30 40 IKEB N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 408748857 CIRMREFIPVQCNJ-UHFFFAOYSA-N 435.961 6.366 30 40 IKEB C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl 408896469 KWTSNVDMOITQST-UHFFFAOYSA-N 439.983 5.878 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccccc4)cc3)c2C#N)C1 409082218 RUCNLHNFIVZUSV-OHPNAPQJSA-N 428.601 7.100 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl 409209555 CKVZPGGVXNRVEP-VULFUBBASA-N 430.331 6.730 30 40 IKEB N#CCn1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc21 409285072 MSXCRMJYDKVQJK-UHFFFAOYSA-N 443.466 5.170 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccc(OC)cc1 1531332790 UZSFSXHHHBLXGH-HMDJNDHRSA-N 440.341 5.228 30 40 IKEB CCN=C1C=C2Cc3cc(N(C)C)c(C)cc3C(c3ccccc3C(=O)OCC)=C2C=C1C 2049248098 ZYCIOMJOZJFQMH-UHFFFAOYSA-N 440.587 5.943 30 40 IKEB Cc1cc(C)cc(NS(=O)(=O)c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)c1 674096 AJVJHUVQPOKQCP-WYMPLXKRSA-N 449.359 5.867 30 40 IKEB O=C(C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 2732265 VSJPGDCKSZNWBP-HNNXBMFYSA-N 439.224 5.299 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O 9261551 GLMWMVMHVCLXCJ-KWPJTZOTSA-N 442.540 5.102 30 40 IKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)ccc1Cl 12360585 MPIDSJVLDHWOOR-ZMOGYAJESA-N 432.823 6.167 30 40 IKEB COc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1OCc1ccccc1 12571815 MHPLQYVWJZZEPF-UVHMKAGCSA-N 434.845 6.392 30 40 IKEB CC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 15986355 LIWPNFVMJZMRDJ-HPNDGRJYSA-N 447.951 5.694 30 40 IKEB Cc1ccc(/N=C2/S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 17095563 PFHVPONELDKSGE-RWBSCQHUSA-N 427.573 5.865 30 40 IKEB Cc1ccc(O)c(/C(=N\CC/N=C(\c2ccccc2)c2cc(C)ccc2O)c2ccccc2)c1 17140825 AUKIXWNAUSDAAQ-SNQKRLHOSA-N 448.566 6.090 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4OC)ccc3C1=O)cn2C 28182505 XVVWITMAFLNCAT-ZRGSRPPYSA-N 441.483 5.391 30 40 IKEB O=C(NCCCC[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 32594718 WDUYMQIMUDQAIO-GYRUEZOASA-N 443.572 5.423 30 40 IKEB N=C1S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)[C@@H]1c1nccs1 33629241 LCPNNUXGRMQEKF-KIMFWDJISA-N 426.950 5.793 30 40 IKEB COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1OC 33957356 KJCBMTPITIADGL-KFMDRPHRSA-N 432.564 5.741 30 40 IKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 89453853 CPRUATFRJBBKTJ-XNWCZRBMSA-N 433.416 5.063 30 40 IKEB CCCCCCCCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O 95586819 CTEHFYUCVZIPJQ-UHFFFAOYSA-N 442.709 8.944 30 40 IKEB CC[C@H](C)C(=O)NC(Nc1ccc(Cl)cc1C(F)(F)F)(C(F)(F)F)C(F)(F)F 97949539 YQXCIRVPBXTMRV-ZETCQYMHSA-N 444.725 5.754 30 40 IKEB Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 100116809 SMLOIGSIJBJIAX-CIAFOILYSA-N 445.260 5.358 30 40 IKEB CCCCCCCCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@@H](C(C)C)N12 100925081 ZZYUFMXUSJRQFB-HXUWFJFHSA-N 431.602 5.412 30 40 IKEB C=CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(F)cc1 224916999 XYWUGBVCPRLQTA-UHFFFAOYSA-N 425.569 5.675 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1)N1CCc2ccccc2C1 408731001 XQEMHLHBBXHIJI-AFUMVMLFSA-N 445.371 5.491 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1C 408740324 KBXFHURNQUXBSD-BUVRLJJBSA-N 444.604 5.669 30 40 IKEB CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 408894779 FXUDLTZWEWEZEA-UHFFFAOYSA-N 427.972 5.712 30 40 IKEB N#Cc1c(N)nc2c(c1-c1ccccc1OCc1ccc(Br)cc1)CCCC2 408977591 DWQYTNZRVHZIEJ-UHFFFAOYSA-N 434.337 5.423 30 40 IKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc1C2 409046732 LSJWYUMLNPBUGL-AWQFTUOYSA-N 430.283 5.144 30 40 IKEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccccc2)cc1 409125300 LSJAFQDGYSIIBP-STZFKDTASA-N 448.931 5.319 30 40 IKEB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1O[C@H](C)CC 409161369 UEJOUJBTULDAMI-QLPFJNHISA-N 436.533 5.371 30 40 IKEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1cccc(C)c1 409199992 GKLGEFHZHZVODO-WRIATZMJSA-N 438.593 5.672 30 40 IKEB COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Br 409246150 FSMYXUUPYXSMGA-CXUHLZMHSA-N 437.746 5.311 30 40 IKEB CC[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409279458 HTKCEXATWFMSLV-KRWDZBQOSA-N 437.971 6.157 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)o1 409333573 ULCLROOGSBFHDA-ODLFYWEKSA-N 433.470 5.132 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OC 409351992 XQWIRDOCFJNEMS-UYRXBGFRSA-N 429.925 5.717 30 40 IKEB O/N=C/c1c(SCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2sccn12 1384870 JDSOAMCRBWVHSP-GEVRCRHISA-N 425.379 5.534 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O 2073764 CMKSGDKULPPFME-JWMLTMDESA-N 430.529 5.826 30 40 IKEB O=C(Oc1ccc(/C=N/c2ccccc2Br)cc1)c1cccc([N+](=O)[O-])c1 3235142 YIVOJMUFMXPFCS-LPYMAVHISA-N 425.238 5.327 30 40 IKEB C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc(C(C)(C)C)cc1 3323486 DIEVYAOGQYKIPV-UHFFFAOYSA-N 442.426 6.483 30 40 IKEB CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4060580 WVSUBUTVJZRGPG-QHCPKHFHSA-N 441.568 5.040 30 40 IKEB Cc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1Br 9195703 YJPDZZDSRHJIFM-AUEPDCJTSA-N 438.152 6.448 30 40 IKEB N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 9308112 JSLFILGXJQYXNB-UHFFFAOYSA-N 437.355 6.405 30 40 IKEB Clc1ccc(-c2nc(N/N=C/c3ccccc3Cl)c3ccccc3n2)c(Cl)c1 12436811 JUWMZIITMIZIJU-BRJLIKDPSA-N 427.722 6.703 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc(C)c(C)c1 12787634 FWFBRGGABFSMJI-KRWDZBQOSA-N 425.529 5.163 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 13548780 HNZGPYSFIOWBMD-WQRHYEAKSA-N 448.853 6.510 30 40 IKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)cc3)nc2c1 19643257 DEXZBHXZJUAWPP-NXYZXBHKSA-N 445.475 6.381 30 40 IKEB CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O 23382694 IJFTXIIWAWJZNS-GIJQJNRQSA-N 447.343 5.889 30 40 IKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 30823034 PDUJMKBDRQIUOU-DEOSSOPVSA-N 430.529 5.577 30 40 IKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 33349555 RZODHAXXAPBNNY-LDADJPATSA-N 442.949 5.984 30 40 IKEB OC1(C#Cc2ccccc2)CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 68562649 KPYLUCQTXVDALM-UHFFFAOYSA-N 443.590 5.857 30 40 IKEB biogenic N=C(O)C1CCN(C/C(O)=N/c2cccc(/C(O)=N/c3cccc(C(F)(F)F)c3)c2)CC1 82108626 RFSKSHHWICTXNF-UHFFFAOYSA-N 448.445 5.177 30 40 IKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 97940013 ILOLDPMFRNCBBN-GOSISDBHSA-N 427.541 5.380 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCC 106688090 MREDXDCNZXXQKY-MOSHPQCFSA-N 429.925 5.540 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)cc2)cc1 198086389 OKDGHXJVDIGUBD-OJPXDDBDSA-N 448.994 7.614 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 408670090 HZFVVOWGXKLKDR-GOTSBHOMSA-N 426.601 6.226 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c1OC 408910673 XQDMCGKZBILJEV-OSAFKRHQSA-N 444.556 6.069 30 40 IKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1OC 408914112 SXUPHVVYEURLDG-OBUXZSPNSA-N 438.593 6.060 30 40 IKEB CC(C)N1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408915278 YZWWHKGGXIRONQ-SMSCYPBYSA-N 446.326 5.370 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)cc2)cc1 409100047 UMLWJCSAMWVICB-WSDLNYQXSA-N 443.253 5.614 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c1C 409216338 JZYXHDDZUYTKQR-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N/c1ccc(F)cc1 409239028 YSWSQDPZYMJZFP-YMERHICUSA-N 426.900 6.363 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C(C)C)c1C 409325092 WQUJWACLJNRLBE-UHFFFAOYSA-N 443.389 5.383 30 40 IKEB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)C(C)C 1439923 BOTROSLQYSNYBY-HHHXNRCGSA-N 441.527 6.083 30 40 IKEB Brc1ccc(C#Cc2cccc(C#Cc3ccc(Br)s3)n2)s1 3851945 NJGJDSPFJDAQLO-UHFFFAOYSA-N 449.192 5.529 30 40 IKEB biogenic C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Cl)cc1 8966346 KACGBNFAWPVYOF-GFCCVEGCSA-N 429.958 5.749 30 40 IKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 9358757 OHYCVEFUXLAKRX-NRFANRHFSA-N 437.854 5.271 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3/C=C/c2ccccc2)cc1 10035375 LFSSYFWGTHSGLA-VUMVYOQZSA-N 447.538 6.126 30 40 IKEB CCC(C)(C)C1C/C(=C\c2ccc3c(c2)OCO3)C(=O)/C(=C/c2ccc3c(c2)OCO3)C1 12418567 XYUFDRCNZPGSGE-LQGKIZFRSA-N 432.516 6.026 30 40 IKEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nc3sc4c(c3c2=O)CCC4)c(C)c1 12565635 GPDJPHKDSOAUJP-UHFFFAOYSA-N 443.597 5.717 30 40 IKEB C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1C1CCCCC1 13117119 UXYBVXPMPSTFDA-UHFFFAOYSA-N 431.030 6.581 30 40 IKEB CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 13570405 WFQNFNYXSFIFKB-JOCHJYFZSA-N 446.934 5.815 30 40 IKEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(C)cc(C)c1 13842001 MATJEJGBHLTZCU-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C1=C(CCCC1=O)N2 14361051 RNKKQICEWXXNSW-QHCPKHFHSA-N 447.922 5.170 30 40 IKEB O=C(Nc1sc(N/N=C/c2ccco2)nc1-c1ccc(Cl)cc1)c1cccs1 16753174 KRTLQFAQNQYAJJ-SRZZPIQSSA-N 428.926 5.816 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2C#N)C1 17102954 ANNDOOXHPKIFSS-HNNXBMFYSA-N 438.980 6.936 30 40 IKEB Fc1ccc(Cn2cc(/C=N/NC(=S)NC3CCCCC3)c3ccccc32)c(Cl)c1 19637587 GYSATZVWGMAZQU-LGJNPRDNSA-N 442.991 5.613 30 40 IKEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CCC4CCCCC4)n3)cc21 19820173 OYMFJBLDDYBJGC-UHFFFAOYSA-N 425.554 5.021 30 40 IKEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 20191484 MYOZFLRAXPPGAQ-DEOSSOPVSA-N 434.580 5.039 30 40 IKEB CN(C)c1ccc(/C=C(\C(=O)c2ccc(Br)cc2)c2nc3ccccc3o2)cc1 27026176 XXEZBWYDAKBZSN-HMMYKYKNSA-N 447.332 6.080 30 40 IKEB CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N\c1cccc(C(=O)O)c1 35656973 MVVWDQZODDBYQE-RVFNTIOESA-N 438.892 5.532 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 44859193 OPQQCNGWMJBAPQ-XMMPIXPASA-N 440.547 5.410 30 40 IKEB Fc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(F)c1 59678668 OTPRPXNLKJGJLJ-LSFURLLWSA-N 428.685 6.876 30 40 IKEB Cc1cccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)c1 83309831 FTHXXDRBIMGXCR-CIAFOILYSA-N 432.505 5.202 30 40 IKEB COc1ccc(/N=C2/S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccccc2)cc1 100346992 WZZSPOUHQOABOC-NEHLPSIOSA-N 431.473 5.412 30 40 IKEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(/N=N\c4ccccc4)cc3)C2=O)cc1 408528409 BDSCSDSCOXLEBH-BKOKDNAXSA-N 425.448 5.012 30 40 IKEB CCOC(=O)c1sc(NC(=O)CN(C2CCCCC2)C2CCCCC2)c(C#N)c1C 408582097 LVJKCVYCXYSWON-UHFFFAOYSA-N 431.602 5.011 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 408913791 RMZNFYYSYRWIMX-UINIZAEWSA-N 428.557 6.198 30 40 IKEB O=C(Nc1ccccc1)c1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc2c1CCCCCC2 408969527 PIPONXOSMMKIJI-MFKUBSTISA-N 449.532 6.024 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1C 408976751 RZLHFMNTLPAQEO-MFKUBSTISA-N 428.517 6.448 30 40 IKEB C#CCn1c(C)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c21 409036460 RLRUEMNPLPJHPY-JNNAGZRYSA-N 441.350 5.913 30 40 IKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cc(Cl)ccc2C)c1 409216572 MIEXFHJUQWFMIH-LGJNPRDNSA-N 427.331 6.378 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1C 409217851 XOKVKAYLVXQUDR-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CC(C)Cc1ccc(CN2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)s1 585295180 OORQSXQUHUFYIF-UHFFFAOYSA-N 437.638 5.793 30 40 IKEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc21 1838147 RNBZAPQPSJVPLL-NHDPSOOVSA-N 442.254 6.097 30 40 IKEB C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OCCC)N(C(C)=O)c1ccccc1-2 2113704 URRABKAIJCGFKU-QHCPKHFHSA-N 448.548 5.050 30 40 IKEB CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 3068804 ZSUFPUYPGTWZJC-LGJNPRDNSA-N 449.894 6.810 30 40 IKEB C[C@H](c1ccccc1)N1C(=S)NC(=N[C@H](COc2ccccc2)C(C)(C)C)C12CCCC2 3662497 IYPSBYONHMKVCN-NFBKMPQASA-N 449.664 6.143 30 40 IKEB C(=N\N1CCN(/N=C/c2ccc(-c3ccccc3)cc2)CC1)\c1ccc(-c2ccccc2)cc1 8649327 NVZHXALZPYSPSN-FNKNYVMZSA-N 444.582 6.006 30 40 IKEB Clc1ccc(SC/C(=N\OCc2ccc(Cl)cc2Cl)c2ccccc2)cc1 8855276 LWAUVHMHAHHGHE-NJNXFGOHSA-N 436.791 7.360 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccco1 9306086 WSTAYYDYEFXLJH-UHFFFAOYSA-N 443.743 5.415 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(O)cc2)cc1 9861228 SVVDWRDMLAPSNF-OAQYLSRUSA-N 442.496 5.093 30 40 IKEB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1 12523339 TYRPHZDJNMOFLK-UHFFFAOYSA-N 432.520 5.047 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC 13567797 AAXBNBRRJJHSHZ-INIZCTEOSA-N 439.939 5.521 30 40 IKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 13569348 NJBKABMZUCSEPZ-FQRUVTKNSA-N 448.526 5.240 30 40 IKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1Br)C2=O 13655797 SKZZOBVMDFGFNN-MOSHPQCFSA-N 430.342 5.393 30 40 IKEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 16139103 JIYMAISFUGBHTQ-AFUMVMLFSA-N 437.952 5.220 30 40 IKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1 16268130 MGPUFQSCVJRWDJ-LJQANCHMSA-N 429.734 6.863 30 40 IKEB O=[N+]([O-])c1cc(Br)ccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 19637650 CKYKJNHZXUQIOE-KEBDBYFISA-N 443.282 5.673 30 40 IKEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc(Oc2ccccc2)c1 19682353 ULCLEKMRWRWIDI-DFKUXCBWSA-N 445.566 6.200 30 40 IKEB CN1[C@H](c2ccccc2)C[C@H](/N=C\c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 33916310 VOXJOUOUCQMCPD-NIHFYVDDSA-N 430.595 7.076 30 40 IKEB CCCCCCCc1nc(C#N)c(N/N=C/c2ccc(OCCCC)c(OCC)c2)o1 101411357 LFLKGGQHEVPVQW-NLRVBDNBSA-N 426.561 6.083 30 40 IKEB CC(C)(C)c1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 102797492 RTVNIEMZFPPXBH-JBCNATCCSA-N 432.545 5.063 30 40 IKEB COc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408723487 VSIXJUPFIQCLIE-AFUMVMLFSA-N 449.919 6.798 30 40 IKEB COc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1C 408764287 STRGUBYQRHQELF-YVLHZVERSA-N 431.355 5.275 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)S2)cc1 408892139 GNBNNNNBMZWYQW-HMAPJEAMSA-N 434.492 5.305 30 40 IKEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccc(OCc2ccc(Cl)cc2)cc1 409059671 WOAUYYYDGPVSEA-OGLMXYFKSA-N 447.991 7.187 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)c1 409199354 CFDCMGLQGXPKNI-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC)c(Cl)c1 1531291606 URQZAIMBQOAKSW-MIDUAYCOSA-N 448.748 5.217 30 40 IKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 10119062 GSXHXFMGIVQVSA-UVHMKAGCSA-N 449.765 6.358 30 40 IKEB CC(C)(C)c1ccc(-c2nnc(S)n2/N=C\C(Br)=C\c2ccccc2)cc1 12464716 TYPNHNNGNDVJIU-QWFULKMDSA-N 441.398 5.801 30 40 IKEB O=C(O)c1cc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1Cl 12572345 GVEATPFWPSBCBR-MTDXEUNCSA-N 441.918 6.954 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccc([N+](=O)[O-])cc4[C@H]3C2)cc1 13551470 FNUUFYIDPPKJOL-NOZRDPDXSA-N 445.450 5.541 30 40 IKEB C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C)CC/C=C(\C)CC[C@@H]1OC1(C)C 28248816 KABSNIWLJXCBGG-SOMXJEHOSA-N 442.728 9.027 30 40 IKEB O=C(/C=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)c1ccccc1O 33376466 YXTHQINUOANBRX-ALCCZGGFSA-N 426.312 6.586 30 40 IKEB C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 33739548 HTHSZIDWDMDZML-AWEZNQCLSA-N 447.391 5.554 30 40 IKEB FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]1(F)OC1(F)F 100477526 QRAOUEBOJOCMCE-LURJTMIESA-N 432.510 5.283 30 40 IKEB Cc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 102527640 YLYSEOKMGHQHQR-WOOAAIBNSA-N 432.526 5.293 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C)cc2)cc1 102883958 LKDWWGIPGQVYER-MOBKVPTQSA-N 440.524 5.539 30 40 IKEB CCCCCCCC[C@H](Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1)C(=O)O 103692920 DLNSXEMHUFJJGV-QHCPKHFHSA-N 438.520 6.051 30 40 IKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/N=C/c3ccccc3C(F)(F)F)CC[C@H]12 253528835 FHIHDASURXFVSB-UMARGTPLSA-N 444.585 7.913 30 40 IKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)S2)cc1 260567446 LLCGRWWWLHIIHE-NQRZERFFSA-N 433.621 6.171 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2ccccc2C(F)(F)F)cc1)N1CCc2ccccc2C1 408728931 AVNMSZPKICOBTN-JFLMPSFJSA-N 444.478 5.203 30 40 IKEB CCCCCCCCNC(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 408978129 YGBSOSLAFFRKEA-UHFFFAOYSA-N 435.549 5.187 30 40 IKEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc(C)c1 409047019 TVGCZWFVXMZETQ-NCAUGAEKSA-N 438.343 5.297 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O 409099715 SYFJBVWOCLAFSG-VCHYOVAHSA-N 445.327 5.666 30 40 IKEB CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1 2174302 IXCUEUGQJZAPJT-IVCURSBOSA-N 437.609 5.977 30 40 IKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)c1 3090368 BZSVCFWSNAUDSL-PGGKNCGUSA-N 429.181 6.931 30 40 IKEB CCCCCCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 3158166 OKFNIQJJKNNDNR-JOCHJYFZSA-N 437.565 5.408 30 40 IKEB COc1ccc(/C=N/N(C)c2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1 9057630 IPQGTILFYCMMCZ-PCLIKHOPSA-N 431.586 6.440 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 9374703 UEUMNXDYKVRGFQ-HSZRJFAPSA-N 431.919 5.469 30 40 IKEB Cc1cc2c(cc1C)N[C@H](c1c3ccccc3cc3ccccc13)C1=C(CC(C)(C)CC1=O)N2 9462461 XOJYKUMIUPRRGA-SSEXGKCCSA-N 446.594 7.832 30 40 IKEB O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1 13286234 QPCAXJZBLTYCSM-PFMNSIPKSA-N 425.513 5.875 30 40 IKEB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/Nc1nc2ccccc2[nH]1 15980066 RZGOUQKUKHSENN-CVKSISIWSA-N 426.455 5.434 30 40 IKEB C=CCSc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 16322406 WEOYDFUXPBNYNA-LLVKDONJSA-N 439.389 6.287 30 40 IKEB CCCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 17095590 OIMGNMCWAPIQJI-CQSZACIVSA-N 427.595 5.050 30 40 IKEB CCCCCCCC/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 17918282 BZMWYDKERIYUOH-NLRVBDNBSA-N 432.593 6.222 30 40 IKEB CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Oc2ccccc2)cc1 26841471 BOMAOFOTBQZVIL-XMMPIXPASA-N 443.499 5.394 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3ccccc3C(C)C)cc2-c2ccccc2S1(=O)=O 33271934 ALVKECUAMFKAGC-UHFFFAOYSA-N 432.545 5.424 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 38309812 VEEBKUQFPONGGR-GJQQSYTOSA-N 444.700 7.171 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccccc2)cc1 44858795 VGYLRCWJVYHHDT-QHCPKHFHSA-N 426.520 5.102 30 40 IKEB CC/N=C1\S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CC 59104417 LKAFLXKTZVHHHU-BTRCZGFISA-N 448.548 5.218 30 40 IKEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 104101305 RMIMPNSDTLFUQX-MRJHHRETSA-N 437.854 5.114 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O 408739034 RVGFPSGLWBSMBW-HMAPJEAMSA-N 436.964 6.482 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(C)c(C)c([N+](=O)[O-])c2)NC1=O 408819793 TYENOXPWQXGDCJ-NVMNQCDNSA-N 431.901 5.155 30 40 IKEB CN(C)c1oc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Br 408853949 UCPCQQZQUZSYNU-AFUMVMLFSA-N 427.386 6.327 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 408938079 KJHHZLQJRPBKFL-QIIWEKBGSA-N 444.578 7.734 30 40 IKEB Cc1cccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409208681 DQDMVIFTNAQYLF-FSJBWODESA-N 425.828 6.316 30 40 IKEB CCn1c(C)cc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)c1C 409291304 ARVDHQXWWXZSDS-UHFFFAOYSA-N 444.922 5.784 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3c(C)[nH]c4ccccc34)c(C#N)c2-c2ccc(C)cc2)cc1 409340736 ANRKQYNEYVPNGV-KBVAKVRCSA-N 429.523 7.642 30 40 IKEB COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc3c2CCC3)cc1 1017313 SGZAUVCUYIXWRI-UHFFFAOYSA-N 449.963 5.502 30 40 IKEB CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1434761 XTQWHRDCJCPYIW-PIKZIKFNSA-N 438.527 5.900 30 40 IKEB C=CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2236875 JJDLQCWWEJMXCP-UHFFFAOYSA-N 428.601 6.065 30 40 IKEB CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 2727237 IYEJGRKWWBTDBZ-HSZRJFAPSA-N 441.999 6.210 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(OC)c(OC)c3)c2C#N)C1 4156081 UDUQVXVCJJJQOK-MRXNPFEDSA-N 426.582 5.359 30 40 IKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc([C@H](C)CC)cc2)CC1=O 4910491 JFCBJJQXBQGVQF-IFMALSPDSA-N 431.580 5.521 30 40 IKEB COc1ccc([C@H]2C/C(=N\c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 17146658 SPBGJDSPDBEMTN-XDMDVORWSA-N 425.315 6.253 30 40 IKEB COc1cc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc34)nc2cc1OC 35288609 QMPHHULECBDSMU-UHFFFAOYSA-N 429.501 5.008 30 40 IKEB Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 44858992 GBDIRQJVQJYWOC-JOCHJYFZSA-N 432.911 5.119 30 40 IKEB CCCCCCCCCCCCCC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 70672739 CBPKWLIFGPUCSA-UHFFFAOYSA-N 441.616 6.104 30 40 IKEB biogenic CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)s1 137045227 JYDOMNITMMCAAR-IXPXTECGSA-N 436.606 5.543 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)cc1C 223553062 HOKRWHZDFMPPDB-QCYAWUEASA-N 447.648 6.696 30 40 IKEB Cc1nn(-c2ccccc2)cc1/C=C1/C[C@H](C)C/C(=C\c2cn(-c3ccccc3)nc2C)C1=O 245237667 PTKFOYVJYITOSK-WMGSCAEFSA-N 448.570 6.141 30 40 IKEB COCc1cc(C)nc(NN=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1C#N 254742208 MRJYEMLNNMJFNB-UHFFFAOYSA-N 448.832 5.786 30 40 IKEB Cc1ccc(/N=N\c2ccc(N=C[C@@H]3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 408537371 VOAWKYRMZOMBMZ-HSGJDDQRSA-N 439.475 5.320 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3c(-c4ccccc4)[nH]c4ccccc34)c2C#N)C1 409077204 DKYFSTVWMRRKPT-WMMCOQJOSA-N 437.612 7.670 30 40 IKEB Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 409207984 AFFARBBVLYSHRL-WGOQTCKBSA-N 435.932 6.320 30 40 IKEB Cc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c(C)n1-c1ccccc1C(=O)O 409208844 DQCDXFXJYIEDIW-LQKURTRISA-N 444.918 6.989 30 40 IKEB COc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1OCC(C)(C)C 409294031 KRPQRGABRBYPNA-UHFFFAOYSA-N 447.579 5.760 30 40 IKEB CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405163 MSXUHDJOLXBLBR-QGZVFWFLSA-N 442.475 5.031 30 40 IKEB COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 662165 OKACLCPARSTMFC-UHFFFAOYSA-N 443.450 5.378 30 40 IKEB Cc1ccc(OC2=CC(=O)c3c(OC(=O)c4ccccc4)c4ccccc4c4onc2c34)cc1 1833043 AKRRLNBWYNAKOB-UHFFFAOYSA-N 447.446 6.125 30 40 IKEB C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12 4162389 VMOSPCSOWBEFCJ-QRRBZYCPSA-N 428.532 5.038 30 40 IKEB biogenic Cc1ccc(Nc2nc(N/N=C/c3cccc4ccccc34)nc(-n3nc(C)cc3C)n2)cc1 8385165 QACFRHGFIFVHBI-JVWAILMASA-N 448.534 5.325 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cc([N+](=O)[O-])ccc1Cl 8781195 IRAFJWCEGJOZKT-QHCPKHFHSA-N 432.907 6.602 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3sc4cccc([N+](=O)[O-])c4c3Cl)c2C#N)C1 9066819 MANPOKGAQFMFDX-SECBINFHSA-N 431.926 5.773 30 40 IKEB C=CC/N=c1\scc(-c2ccc(Br)s2)n1/N=C/c1ccc(OC)cc1 13146056 SHAZRIANVZTIKE-JZMJZRGMSA-N 434.384 5.018 30 40 IKEB C=C1[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 13304931 CRZLCZVPGSGGGD-HNRBIFIRSA-N 444.534 6.400 30 40 IKEB Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@@H]12 13381956 PPJFANUQDXSZTQ-JHISGHLCSA-N 426.516 5.656 30 40 IKEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(C)ccc1C 13879693 KAVSKEIRNPUKHJ-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1csc(C)c1CC 17095095 JJTGKPBNLHANOR-OAHLLOKOSA-N 426.611 5.033 30 40 IKEB N#Cc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(C#N)cc4)cc3)cc2)cc1 96609276 VMOGIYKUYBXASL-GKTLAHRSSA-N 426.479 6.723 30 40 IKEB CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408849788 ZFIRLZOYAJAHLQ-LUTPDKMQSA-N 434.605 6.657 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc2c(cc1Cl)OCO2 408963416 ZHUOMVJLPJNLCL-LHHJGKSTSA-N 427.696 5.267 30 40 IKEB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)o2)c1 408966857 QXBFVQMSWCBAGX-FYJGNVAPSA-N 432.501 5.242 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 409080406 NQEFRKMXOOUFTB-KQWNVCNZSA-N 439.898 6.417 30 40 IKEB Oc1c(I)cc(Br)cc1/C=N/c1cccc(Cl)c1 409101440 UABFXKYFAQRLTI-REZTVBANSA-N 436.474 5.163 30 40 IKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(F)cc1 409199831 DOPDVAVQWVHBQD-NDZAJKAJSA-N 441.502 7.346 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(C)c1 409207969 ADQRDUPGYQHMNZ-SRZZPIQSSA-N 425.164 6.368 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1C(C)C 409209273 FBPOWZQDVPXLRW-GRUKXCDCSA-N 439.537 5.263 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(C)cc1 938156 KIORACULFFHNFA-UHFFFAOYSA-N 432.471 5.189 30 40 IKEB COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(Cl)cc1O 1004412 CHTHNDWRFNFFMJ-UHFFFAOYSA-N 430.928 5.454 30 40 IKEB Brc1ccc(/C=N\c2ccc(/N=C/c3ccc(Br)cc3)cc2)cc1 2147141 ABIMDDIMIIGMLZ-NQGGHMMCSA-N 442.154 6.713 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 3425960 QZPOJIVWTYMZEB-IBGZPJMESA-N 443.446 5.858 30 40 IKEB O=C(/C=C/Nc1ccccc1NS(=O)(=O)Cc1ccccc1)c1cccc2ccccc12 6110641 ZEJGIGFNRJDNIW-ISLYRVAYSA-N 442.540 5.590 30 40 IKEB Cc1ccc2c(CSc3nc4c(c(C(F)(F)F)c3C#N)CCCC4)cc(=O)oc2c1C 8993035 BMQHXQPBMYGXPH-UHFFFAOYSA-N 444.478 5.866 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(OC)c1 9308025 KPEKPZKTIHVXRU-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB C=CCn1c(NCc2cc(Br)cc(Br)c2O)nc2ccccc21 9435211 KLBBBOFJNKBLAW-UHFFFAOYSA-N 437.135 5.065 30 40 IKEB CCOC(=O)/C(C)=N/Nc1ccc([C@](C#N)(C(=O)c2ccc(C)cc2)c2ccccc2)cc1 11692144 PQZLOSWXTOLCFC-GMDQVSJLSA-N 439.515 5.039 30 40 IKEB CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)S1 12995510 WGHRYNFGQFIOMY-OAQYLSRUSA-N 431.561 5.213 30 40 IKEB COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc2c(c1)OCO2 13568664 FRACDMYJQALVPS-SOKVYYICSA-N 440.499 5.403 30 40 IKEB C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C1 13654400 ASMRQDHESBTGRW-IBYOTXECSA-N 432.347 5.793 30 40 IKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 13842947 DADHSDBASTUXLK-UHFFFAOYSA-N 436.581 5.206 30 40 IKEB CC(=N/N(Cc1ccccc1)c1ccccc1)/C(C)=N/N(Cc1ccccc1)c1ccccc1 17991401 SOLCRAFWRRSRRT-IEPGDLOPSA-N 446.598 7.152 30 40 IKEB Cc1cccc(C2C3=C(C[C@H](c4ccco4)CC3=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)c1 19629703 LUOONSUCHMOYNB-OALUTQOASA-N 439.511 5.669 30 40 IKEB Cc1c(C#N)c(N)nc2c3c(sc12)N=C(O)C[C@@H]3c1ccc(OCc2ccccc2)cc1 20150258 IXHIHSJYVCEXNU-GOSISDBHSA-N 440.528 5.761 30 40 IKEB CCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1O 59475143 FEMOJFQXKHXIAN-CVKSISIWSA-N 449.963 6.681 30 40 IKEB OC1=NC(=N/c2cc(F)c(F)c(F)c2)/C(=C/c2cccc(Oc3ncccn3)c2)S1 72401092 HAQJNSZVJYAWHE-PXNMLYILSA-N 428.395 5.418 30 40 IKEB O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/Nc1ccc(Cl)cc1 89857569 ZFGGJHHAEPEACY-JFLMPSFJSA-N 440.890 5.745 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OCCCCC)cc1 100029720 DTAYQVXQSMMJIO-UHFFFAOYSA-N 445.732 9.456 30 40 IKEB biogenic CCCCCCCCOc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1 100060910 JXVUMQAQZSXBEE-NHFJDJAPSA-N 442.567 6.001 30 40 IKEB CCOc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 100241726 UNLBWLGZDUAXKR-AZYSCILLSA-N 443.474 5.407 30 40 IKEB COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)S2 100500448 LRTLXHFKGLXMSR-QDJRPKQISA-N 445.569 5.874 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccccc1 101226865 WMOZZLXNNLEPKD-OVJLLXBISA-N 434.348 5.140 30 40 IKEB O=C1/C(=N/Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2N1Cc1ccccc1 102982102 SAHXSASSIRXSOT-VFCFBJKWSA-N 429.829 5.722 30 40 IKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cc2cc(Br)ccc2o1 107581111 NRKGDGIYYMQMKP-UHFFFAOYSA-N 440.366 6.241 30 40 IKEB C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 224564472 RAINAGUETWQXEC-UHFFFAOYSA-N 442.537 5.157 30 40 IKEB C=CCOc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1 225937471 HTVUKNRSGIHAEA-UHFFFAOYSA-N 447.578 6.727 30 40 IKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226339724 AJWFQFUBLZCHTB-UHFFFAOYSA-N 448.527 5.778 30 40 IKEB CCCCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 408541173 YEVNBHWNOVQJST-UHFFFAOYSA-N 441.999 6.342 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 408673551 SVTCDHGMMJKDGZ-GOTSBHOMSA-N 426.601 6.226 30 40 IKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408783229 MPSCHARAIJXIGZ-SSDVNMTOSA-N 432.705 6.169 30 40 IKEB CCc1nnc(S)n1/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408868653 NXQXOODQYVTWLH-BHGWPJFGSA-N 444.391 5.630 30 40 IKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(CCCOC)C1=O 409099511 TXHBPALBFIDTFU-OIBHPTRJSA-N 430.957 5.379 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1cccc(F)c1 409212294 OPJCUQRHUVLTDW-VULFUBBASA-N 442.328 6.625 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1C 409219395 PXMWQZPWNWTPFF-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccc(OC)cc2)N(CC)C1=O 409242186 NJUDNLYDRBFQSG-XZKXACHFSA-N 432.545 5.871 30 40 IKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3Br)c2)cc1C 409383478 YMSCCOIGZRYWTK-QFEZKATASA-N 437.337 5.834 30 40 IKEB C=C(C)[C@H]1C[C@H](c2ccc(CC(C)C)cc2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037874854 DEYQCNXSJKNLKK-WKCDTRDRSA-N 440.555 6.314 30 40 IKEB C=C1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C 2060990613 IOPDFSGGBHSXSV-YINGGCCASA-N 442.728 6.996 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)cc1 812875 NKZJACGFXGJYRH-DNOBIOAJSA-N 442.515 5.389 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCC(C)C)c1 1457577 UJWDWCLPKQFNQL-HHHXNRCGSA-N 446.591 6.274 30 40 IKEB N#Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1 3243890 UFAYOEPPYJZJCO-UHFFFAOYSA-N 432.455 5.059 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C)c1 8722656 FBQDQLYHLXDSDZ-AFUMVMLFSA-N 446.532 5.077 30 40 IKEB Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccccc1 9403333 DCGPUQQVARKTJS-UHFFFAOYSA-O 438.016 6.284 30 40 IKEB COc1cccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)c2C#N)CCCC3)c1 9422447 XSIAUQGZEQIJLK-UHFFFAOYSA-N 449.498 5.370 30 40 IKEB COc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccccc2)cc1OC 9584137 ISVUMPNRRMBHKQ-UHFFFAOYSA-N 428.517 5.115 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 13040895 JMVFJFGVQYJCMU-HXUWFJFHSA-N 433.602 5.338 30 40 IKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl 13551599 DOEFHXDBPMGCQF-JJFYIABZSA-N 443.351 6.911 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)Sc1ccccc1N2 14671928 MVHNPWLMMBPGMX-RUZDIDTESA-N 427.525 6.172 30 40 IKEB CCO[P@](=O)(C#CC(C)(C)C)[C@@H](NCc1ccccc1)c1ccc(Br)cc1 16688012 PUUDWNUNBVTUBV-JIPXPUAJSA-N 448.341 6.559 30 40 IKEB CC(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 19630553 GJFOYWNHYWJOJO-KRWDZBQOSA-N 439.650 6.021 30 40 IKEB CC(C)C1=CC(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=C(C(C)C)C1=O 26787088 HLAIKLCSVDOPBE-IMVLJIQESA-N 434.561 5.011 30 40 IKEB CCOc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC 31783816 WMWORFKLJIAQSB-KSEXSDGBSA-N 436.364 6.360 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1SC/C(=C/C(=O)C(C)(C)C)C(C)(C)C 58174710 OTKWGKUNSANVAC-VKAVYKQESA-N 445.604 5.862 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(C)[C@@H](O)C[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118930126 AJBZENLMTKDAEK-JKSBFMLQSA-N 442.728 6.996 30 40 IKEB CCN1c2ccc(/C=C3\S/C(=N\c4cccc(Cl)c4)NC3=O)cc2[C@@H](C)CC1(C)C 223533729 OXHRQXFVUIROFH-RANIVTSPSA-N 440.012 6.344 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)S2)cc1 408761137 IEWNTXMJKZXKID-NDENLUEZSA-N 435.461 5.014 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(/N=N/c4ccccc4)ccc3O)S2)cc1 408762292 JWKCNUGDRWTLPN-KXXSZAMISA-N 428.517 6.262 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1OC 408863243 QMRLCGDBYLMPIB-NDENLUEZSA-N 430.957 5.728 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)ccc1C 408906644 CSJQFILECWUWQI-RNWNAKOZSA-N 428.557 6.369 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 408914046 SEVBAXFPYMTOEX-AJGXWLHTSA-N 442.584 6.588 30 40 IKEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1Cl 408931177 IAWKISFQSDDCBJ-WPWMEQJKSA-N 436.939 5.515 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 409217448 VDVDVCIYFTWVJF-VULFUBBASA-N 430.331 6.730 30 40 IKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(CC)cc1 409217640 RCHPCIBFKBICGC-CIAFOILYSA-N 425.164 6.313 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(C)(C)C 409288046 CCRCNLQQQLQROE-UHFFFAOYSA-N 442.357 5.029 30 40 IKEB O=C1C(=O)N(N(c2ccccc2)c2ccccc2)C(c2ccccc2)=C1Cc1ccccc1 2077883 OLYUEWGUUXMOBK-UHFFFAOYSA-N 430.507 5.805 30 40 IKEB CCCCc1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)NC3=O)c2C)cc1 2795139 VOHVSKPGZYWERK-JJIBRWJFSA-N 429.589 6.328 30 40 IKEB Cc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 6245069 HRCGSNORFACBEG-UHFFFAOYSA-N 426.972 7.541 30 40 IKEB Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)cc1 8439123 FMGGJQSMQIOMEV-NJNXFGOHSA-N 437.517 5.185 30 40 IKEB Cc1cccc(OP(=O)(N/N=C2/C(=O)Nc3ccccc32)Oc2cccc(C)c2C)c1C 8853629 MSCLZMCLVUAWBW-UHFFFAOYSA-N 449.447 5.432 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 9007937 FZEOTGVBCDNKDA-FQEVSTJZSA-N 430.485 5.289 30 40 IKEB CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccccc2)cc1 9546508 ACPGPSJEZKUOPU-DWACAAAGSA-N 433.555 6.575 30 40 IKEB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3sccc3C#N)n2n1 12568785 ANXRSYHSULQDCC-OAHLLOKOSA-N 433.562 5.066 30 40 IKEB C=CCN(C(=O)c1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 12751991 UQMVMSWGILLCFH-UHFFFAOYSA-N 448.569 5.200 30 40 IKEB C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1ccc(C)c(C)c1 13120698 IVJIROOSUJJIMZ-KRWDZBQOSA-N 425.529 5.163 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(OC)c1 13805850 JDONSFYHFXJKLW-UHFFFAOYSA-N 430.533 5.024 30 40 IKEB Cc1c(C#N)c(NC(=O)CSc2ccc3c(c2)OCCCO3)n(C2CCCCC2)c1C 14182049 AQRINOOOYQNOLD-UHFFFAOYSA-N 439.581 5.374 30 40 IKEB CCc1ccc(OCc2nnc(Sc3ccc(C#N)cn3)n2[C@H](C)c2ccccc2)cc1 24758920 RWJQJURBJLDNQS-GOSISDBHSA-N 441.560 5.447 30 40 IKEB Cc1ccc(/N=C(\c2ccccc2)[C@@H]2SC(=N)N(c3ccccc3)[C@H]2c2ccccc2)cc1 34868430 BJWFNANIWVLDLW-SDZCBURDSA-N 447.607 7.414 30 40 IKEB N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCc1ccc(F)cc1 39841567 DYFKMFABLDBEOD-UHFFFAOYSA-N 433.870 6.197 30 40 IKEB CCCCCCCCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12 97944606 GFKYPIICHSNPGC-UHFFFAOYSA-N 432.608 7.171 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1 103686876 SSOHTJSQYFYSSO-KWPJTZOTSA-N 428.557 5.850 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)C(C(=O)OCC)C(=O)OCC 104157362 GPDXGWPSHSECAO-UHFFFAOYSA-N 426.638 6.559 30 40 IKEB C[C@H]1C/C(=C/c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1 245266880 KMSIGDDMAIEECU-CYTZHPSJSA-N 446.182 6.678 30 40 IKEB Fc1cccc(Cl)c1COc1ccc(/C=N\Nc2ccc(Br)cc2)cc1 408605707 YOQWJPORJLVXDO-MSXFZWOLSA-N 433.708 6.267 30 40 IKEB Cc1cc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc([N+](=O)[O-])c1C 408821057 BXDOJTWDECIVMM-MYKKPKGFSA-N 425.872 5.721 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)c2ccccc12 408913208 SBRVZDSBZNGBJM-BVGVAWRYSA-N 430.573 6.479 30 40 IKEB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O 408966053 MNXAWMBKPGXCOB-CPNJWEJPSA-N 446.403 6.184 30 40 IKEB O=C(O)c1cc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)ccc1Cl 409040282 YEGPDZDPWSJURP-GFXGDVFHSA-N 432.679 5.012 30 40 IKEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCc1ccccc1 409076745 CCJTZZGXLKHQRV-KQWNVCNZSA-N 425.484 5.347 30 40 IKEB CCOC(=O)c1cc(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)ccc1Cl 409201400 MJFCDFKOUVKQFM-ZMFRSBBQSA-N 438.936 6.339 30 40 IKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409216515 ITQBCLKFSAYLRP-UVHMKAGCSA-N 444.409 6.782 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(N3CCCC3)c3ccccc23)S1 409220910 HPEZBAVGCZTPMV-HZHRSRAPSA-N 447.991 6.293 30 40 IKEB CCOc1cc(C)c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OCC 409405621 OWKJRHXRHFFKEB-UHFFFAOYSA-N 427.504 5.052 30 40 IKEB COc1cc(C[S@](=O)Cc2cccc3ccccc23)ccc1OCc1cccc(C#N)c1 522662520 WTBOINZTFMXJRU-YTTGMZPUSA-N 441.552 5.748 30 40 IKEB COc1c(Cl)cc(Cl)cc1/C=N/c1cnn(C)c1C(=O)Nc1cccc(Cl)c1 850516 NRBUWVZAMOLDMD-NUGSKGIGSA-N 437.714 5.392 30 40 IKEB CCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc1 6162441 OWTBQNHTJKZQRR-VWLOTQADSA-N 446.547 5.091 30 40 IKEB N#Cc1c(-c2ccccc2)cc(SCc2ccc(Cl)cc2)n2c1nc1ccccc12 8426362 NSFPEBNCRVKXMU-UHFFFAOYSA-N 425.944 6.972 30 40 IKEB COc1cc(C(=O)Nc2cccc(C#N)c2)cc(Br)c1OCc1ccccc1 9222831 RAMPWGJXMZTJOF-UHFFFAOYSA-N 437.293 5.161 30 40 IKEB COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1 9264182 GXZVAFZNBOLXDS-MHZLTWQESA-N 438.527 5.824 30 40 IKEB COc1ccc(CN2Cc3cc4cccc(C)c4nc3S/C2=N/c2ccc(F)cc2)cc1 12482511 ZHUIRRQUMWAKPK-BYCLXTJYSA-N 443.547 6.487 30 40 IKEB C=CCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)Cc1ccc(Cl)s1 13128518 LLPLJNAKELZIQX-UHFFFAOYSA-N 426.929 5.603 30 40 IKEB Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 13302162 SXRCRAMXUYPBSX-VULFUBBASA-N 435.314 6.269 30 40 IKEB C/C(=N\Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1)c1ccccc1 13304443 XRNZCNQLNJALAY-OGLMXYFKSA-N 443.348 6.409 30 40 IKEB C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@@H](CN1CCOCC1)C(=O)c1ccccc1 13564404 FYGNZWIUSAWRQA-KAYWLYCHSA-N 439.555 5.041 30 40 IKEB N#Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 14273253 WRXWUXXBYUJOSH-JXMROGBWSA-N 443.355 6.717 30 40 IKEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc4ccccc4n32)cc1OC 19633760 QXKNAJZWGQTVGP-IVCQMTBJSA-N 441.487 5.062 30 40 IKEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@H](c1ccccc1)N1CCCCC1 32624555 GXFMLLNYWNJWAA-JOCHJYFZSA-N 436.943 5.418 30 40 IKEB COc1ccc(-c2c[n+](CC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c3n2CCCCC3)cc1 35877949 QPNKEIUKHMGPED-JHMXWDHMSA-N 439.620 5.182 30 40 IKEB biogenic COc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 59198991 MYJLPBYQMHUDEM-OGLMXYFKSA-N 440.568 6.792 30 40 IKEB Cc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463711 NCDPONHLPGEROE-AFUMVMLFSA-N 433.920 7.098 30 40 IKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c1C 107607202 WHDRFNUQYCELMY-LOLYAUBJSA-N 427.982 5.930 30 40 IKEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(Cl)cc1Cl 408594116 SHADTHYXSYCPRC-UVHMKAGCSA-N 441.314 6.003 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3cccc(C(=O)OC(C)C)c3)c2C)nc2ccccc21 408692524 OKAGDHPOGBZHRE-JVWAILMASA-N 443.551 5.475 30 40 IKEB COc1cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)ccc1OCC(C)C 408738915 PYFLDSREOLOUBN-JMIUGGIZSA-N 430.957 5.583 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)c2C)cc1 408752543 BMTQHYPBSNPCCI-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1nc(-c3ccc(C4CCCCC4)cc3)cs1)OCO2 408976925 HAVWOKZVPZMZPU-WYMPLXKRSA-N 435.505 6.245 30 40 IKEB Cc1c(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccccc1C#N 409101851 ZCYJSJBWEOAPPS-AMVVHIIESA-N 433.437 5.730 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccc(F)cc1 409241518 OBZITDBAPSKCOH-NFVLHAOASA-N 436.468 5.149 30 40 IKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409384696 FGLKIAFIZHIEOU-DICXZTSXSA-N 434.605 6.781 30 40 IKEB O=C(c1ccc(C(F)(F)F)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242768 HHIZXOBIOARDRG-UHFFFAOYSA-N 426.584 6.010 30 40 IKEB C=C(C)[C@H]1C[C@@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CC(=O)O)ccc1OCC 585263967 RDJKRBMESGXLGW-MZYVBUQCSA-N 428.956 6.192 30 40 IKEB CCc1n[nH]c(=S)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1915752 QIFAYUWFFXCKEL-LSHDLFTRSA-N 437.352 5.280 30 40 IKEB CC1(C)Cc2c(sc3nc(C4CCCCC4)n(/N=C/c4ccc(F)cc4)c(=O)c23)CO1 2269561 KBWNRIWEIUOYRP-LGJNPRDNSA-N 439.556 5.378 30 40 IKEB CCCCCCCCOc1cccc(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)c1 2273699 KUMGQGIUIIFVHW-OGLMXYFKSA-N 430.552 5.808 30 40 IKEB CCCCCCCn1c(O)c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 2291848 DFZUYGACPJKFHA-UHFFFAOYSA-N 447.362 6.237 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1Cl 2450678 UAWMEQXXSLVNBZ-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB Cc1ccc(/C=C2\C(=O)c3c(Oc4ccc(Cl)cc4)cccc3[C@@H]2c2ccccc2)cc1 3133436 ALEFMTZWRAUYNF-WHNPURCTSA-N 436.938 7.853 30 40 IKEB COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 13510873 UFDWOEGWKFJWOX-WEWMWRJBSA-N 431.495 5.105 30 40 IKEB N#CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 13802060 WQHHIUPVMNFPJC-UHFFFAOYSA-N 430.979 5.523 30 40 IKEB in-vitro C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(Cl)cc3)c2c1 15880444 WXUTVTXRDTXMIQ-UHFFFAOYSA-N 447.918 6.969 30 40 IKEB biogenic CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Oc2ccccc2)cc1 35111945 LVUSMLFVFAEDMA-BDYUSTAISA-N 447.534 6.521 30 40 IKEB CCCCCCCCCCCC[N+](C)(C)CCOC(=O)Nc1cccc2ccccc12 59042389 FYGUCBIJGNGGHO-UHFFFAOYSA-O 427.653 7.386 30 40 IKEB C=CCN(CC=C)C(=N\c1ccc(C)cc1)/C(=N\c1ccc(C)cc1)N(CC=C)CC=C 68734835 RYJWQZSRIARQDD-JOKXDOCYSA-N 426.608 6.412 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc21 223511585 IUXJKWMBFQQEKI-QRVIBDJDSA-N 449.595 6.436 30 40 IKEB Cc1ccc(/N=N\c2ccc(N=C[C@@H]3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1 408537462 VPCKXHGCASLWHQ-VFGCCNOKSA-N 439.475 5.320 30 40 IKEB Cc1ccc(C(=O)/C=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408729652 BUGVGQOUFTUUBI-QURGRASLSA-N 439.558 8.016 30 40 IKEB Cc1ccc(Sc2oc(/C=N\c3cc(C)c(C)c([N+](=O)[O-])c3)cc2Br)cc1 408914525 QGLYZWLXASURPP-JJFYIABZSA-N 445.338 6.777 30 40 IKEB N#CCOc1ccccc1/C=C1\S/C(=N/Cc2ccccc2)N(Cc2ccccc2)C1=O 408928293 ZINVWSREDFQGLR-GGPVNALXSA-N 439.540 5.262 30 40 IKEB CN(C)c1oc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br 409084905 NHRJVGDMMPPTBB-MIDUAYCOSA-N 434.403 5.943 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409211207 LENGYGMIHCYKIM-FOKLQQMPSA-N 446.246 6.661 30 40 IKEB COc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc(Cl)c1O 409293090 GZDZJCCFVLODPQ-UHFFFAOYSA-N 445.862 5.060 30 40 IKEB COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1O 729453 GNKHAOYTTTZSRO-SHACYNPGSA-N 448.544 5.450 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1cccs1 1438365 UVMGNALPYQAUAJ-GOSISDBHSA-N 440.318 5.294 30 40 IKEB O=C1C2=C(Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccc(Cl)cc2Cl)c2ccccc21 2635422 RZYOLVDVNATONR-OAHLLOKOSA-N 437.208 5.226 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1 3026350 HSAHXPBWSPVEQH-JFLMPSFJSA-N 426.476 5.081 30 40 IKEB N#Cc1c(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)sc2c1CCC2 3356903 VDYUCVTWYBSOLJ-VAWYXSNFSA-N 442.569 5.675 30 40 IKEB CCNc1cc2c(cc1C)C(c1ccccc1C(=O)OCC)=C1C=C(C)C(=[N+](C)C)C=C1C2 4235570 ZYCIOMJOZJFQMH-UHFFFAOYSA-O 441.595 5.561 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3ccc(/N=N/c4ccccc4)cc3)o2)sc2c1CCCC2 8826552 DZGXQTANPNRZJP-UMJYARSTSA-N 436.540 7.925 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1OC 8872767 UXBASONFVZDOHQ-CVKSISIWSA-N 449.963 6.594 30 40 IKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC 9164653 RSRDBWHPENNCIP-RUZDIDTESA-N 446.547 5.257 30 40 IKEB Cc1c(CCC(C)C)c(Nc2cc(Cl)cc(Cl)c2)n2c(nc3ccccc32)c1C#N 9375106 RHQCSPPPDPFWAR-UHFFFAOYSA-N 437.374 7.307 30 40 IKEB C=CCn1c(S[C@@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 9669844 NFKAFHCXWRFVRF-HXUWFJFHSA-N 441.000 5.486 30 40 IKEB O=c1oc2ccccc2cc1-c1csc(N/N=C/c2ccc(Br)cc2)n1 13739434 IZLBRKOBYXGVDP-UFFVCSGVSA-N 426.295 5.125 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C#N)C1 14273284 UQJPUUNWCIKUBC-FQEVSTJZSA-N 444.600 6.602 30 40 IKEB Cc1ccc(CN2c3ccsc3C(=O)/C(=C/Nc3ccc(C)cc3C)S2(=O)=O)cc1 20575695 ZJGOLHFOBFJDQZ-BKUYFWCQSA-N 438.574 5.160 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cncc(Br)c3)c(C)c2s1 72228761 WLYYVINRXKHJOE-MYKKPKGFSA-N 446.374 5.521 30 40 IKEB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 98087008 VXXUPQJEESMHMU-NVMNQCDNSA-N 449.315 5.141 30 40 IKEB CN(C)/C=N/C(=O)[C@@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 100256124 HYVHLYUDGMAOET-QYJQOTDOSA-N 439.342 5.473 30 40 IKEB CC(C)OC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C(N)=O)CCCC4)o2)cc1 100982417 BBIJRHRKUUPSNE-ZMFRSBBQSA-N 436.533 5.302 30 40 IKEB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C 257348918 KAIVGEVOBNIWLR-RUBZDPIPSA-N 428.657 5.705 30 40 IKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 408560673 NEGKCHNQLBWNRP-UHFFFAOYSA-N 430.662 5.154 30 40 IKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408749350 NNNNLOYBRVHVGX-VCHYOVAHSA-N 449.746 6.798 30 40 IKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(Br)c(Cl)c2)cc1 408850758 DVDQVBBIDPSDPP-WYMPLXKRSA-N 444.712 6.130 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)cc1 408896157 POHYOULTQOTPTA-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB Cc1nc(N)c(C#N)c(-c2c(OCc3ccccc3)ccc3ccccc23)c1-c1ccccc1 408976419 ATOHPRABGAJOQC-UHFFFAOYSA-N 441.534 6.910 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1Cl 409061051 BRRYXPDQEGARJF-VULFUBBASA-N 445.935 5.220 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1Cl 409217019 QUZMDDUAVJHQLM-JFLMPSFJSA-N 428.359 7.284 30 40 IKEB CC(=O)c1ccc(-c2ccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 1531385750 XHZPICUAEKYZMB-OGLMXYFKSA-N 433.467 5.408 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 1458719 VJVHKTKWGJZVPO-XNMGPUDCSA-N 431.535 6.396 30 40 IKEB Cc1c(Cc2ccc(Cl)cc2)c(Nc2ccc(F)cc2)n2c(nc3ccccc32)c1C#N 1869080 HWRWHPDPJOXWFO-UHFFFAOYSA-N 440.909 6.795 30 40 IKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)cc1 2104848 INMKAJNEUBJWDH-OYKKKHCWSA-N 444.483 5.551 30 40 IKEB biogenic O=C(NC1CCCCC1)c1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc2c1CCCC2 3766348 JUEDOQUYRKQPSB-YDZHTSKRSA-N 427.526 5.054 30 40 IKEB C/C(=N\Nc1c(Cl)cccc1Cl)c1csc(-c2cc(Cl)nc(Cl)c2)n1 4289281 KCPAPQBDSHWSBJ-LIMNOBDPSA-N 432.163 6.655 30 40 IKEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 8821107 JFYRBLDGDFRGJG-DEDYPNTBSA-N 435.461 5.145 30 40 IKEB COc1ccc(N/N=C2\Sc3nc(-c4ccccc4)c(-c4ccccc4)n3C2=O)cc1 8857242 VRUKLBRJXUUFHS-QYQHSDTDSA-N 426.501 5.397 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 9260618 AHAXEKYNBCOJMM-UHFFFAOYSA-N 439.294 6.044 30 40 IKEB O=C1/C(=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)S/C(=N\c2ccccc2)N1c1ccccc1 15015421 VSXMJSFBNLNLBA-JQEKIWFTSA-N 442.456 5.375 30 40 IKEB CCOc1c(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)cccc1OC 15224310 NDDNXPBVFUQIJI-TVBXNAKKSA-N 444.556 5.898 30 40 IKEB C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(CN4CCCCCC4)cc3)[nH]n2)c1C 19578009 HYXDGZMPTMQBRL-UHFFFAOYSA-N 446.599 5.094 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1cn(CC)c3ccccc13)C2=O 20648360 WEINRUDCSGIPGT-YZSQISJMSA-N 446.591 6.385 30 40 IKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(C)c4O)ccc3o2)cc1C 38179883 NNYJMQWHRBMTNM-BRJLIKDPSA-N 435.321 6.639 30 40 IKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 97954152 IHSMSDRGLSGLOW-UHFFFAOYSA-N 439.563 5.871 30 40 IKEB CCCCCCCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 100775089 NWZNBZSAZDRIRO-UHFFFAOYSA-N 429.568 5.305 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 245380228 UOCUEIOMIAYZNI-VKDHOMMPSA-N 428.613 5.468 30 40 IKEB biogenic C=CCOc1ccc(Br)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 408634337 PVSYYFDHWJXKBB-BOPFTXTBSA-N 431.311 5.108 30 40 IKEB CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408860281 ZWQPTVRYNADYKF-IMRQLAEWSA-N 431.605 6.476 30 40 IKEB CN(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)o1 409080812 OJKSCXUNUHBOOI-AFSAKMMISA-N 449.620 6.561 30 40 IKEB N#CCc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cc1 409167466 MABJTHTVJFJWHY-VAOGHPRRSA-N 433.555 6.301 30 40 IKEB COc1cc(/C=C2\Cc3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 409368325 YFAGGOQTYDIFPZ-VCHYOVAHSA-N 425.311 6.403 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(C)c1 2452598 RGTYBJAMGZOYPJ-UHFFFAOYSA-N 426.973 5.441 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cccc1Cl 4078578 PQZNRMSRUHBYOC-QHCPKHFHSA-N 426.919 6.032 30 40 IKEB CCOc1cc([C@@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CCC3)ccc1OCCO 6089742 HILTWPURTFZGOY-SANMLTNESA-N 429.516 5.283 30 40 IKEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc23)C1=O 9357285 ZETWLCDQKVYEKX-STXSBSPXSA-N 447.560 5.101 30 40 IKEB Cc1cc2c(cc1C)N[C@@H](c1c3ccccc3cc3ccccc13)C1=C(CC(C)(C)CC1=O)N2 9462460 XOJYKUMIUPRRGA-PMERELPUSA-N 446.594 7.832 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 12865449 IBHLVHLIYYDTRV-ULTXKWAWSA-N 439.728 8.494 30 40 IKEB biogenic O=C1C2=C(NC(SCc3cccc(F)c3)=N[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 12961045 CCTSFIVBCFLRCI-JOCHJYFZSA-N 444.487 5.096 30 40 IKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 13617276 LEHKLFXCYIZPJE-AKBOQNEDSA-N 443.616 6.481 30 40 IKEB O=C(C[n+]1c(-c2ccc(Br)cc2)cn2ccccc21)c1ccc(Cl)cc1 13774302 XNKKXWHHABTMJI-UHFFFAOYSA-N 426.721 5.193 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(C)ccc1C 14117846 IQAZZAFTKXZINE-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB COc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 15910920 QBRIHOMQWDBPGX-UHFFFAOYSA-O 433.597 5.640 30 40 IKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 18196232 JIBVDMOFOBRWAP-FATZIPQQSA-N 435.932 6.088 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc(C(F)(F)F)c1 32611772 JODIUMRFMIJEEX-UHFFFAOYSA-N 436.434 5.020 30 40 IKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O 51366909 NVHYTASQZUFVJY-MQBMHJJESA-N 444.398 5.392 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1cccc(C)c1 59193628 OUPHFJMXZZSIJL-CVKSISIWSA-N 443.528 5.792 30 40 IKEB C[C@H](O[C@@H]1OCCN[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 95950580 AFBDSAJOMZYQAI-PDSMFRHLSA-N 437.355 5.628 30 40 IKEB in-vitro Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(I)c(C)c3)c2C)c1 100116640 WOKZNWBEWUIFCA-ZMOGYAJESA-N 442.344 6.375 30 40 IKEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccccc1Cl 208823156 IAJRUDQSVYHTHD-VGOFMYFVSA-N 436.689 5.006 30 40 IKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C#N 225780158 PDNFIVLGXDNUJX-UHFFFAOYSA-N 433.335 5.339 30 40 IKEB CCn1c(N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc2ccccc21 408692429 MGPZFPOODILGPY-JFLMPSFJSA-N 427.939 6.159 30 40 IKEB CCOc1ccccc1/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 408734360 YMDRXCRKQAKTNW-CVKSISIWSA-N 435.932 6.923 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc1C 408912011 LPBKRKNVUGNSBK-AJGXWLHTSA-N 442.584 6.159 30 40 IKEB O=C1C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)c2ccccc21 409140336 DAHABZDCNVGHAX-UHFFFAOYSA-N 427.887 5.836 30 40 IKEB COc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br 409218430 VGAGJOQIVKWLEW-GUVYHVJLSA-N 431.783 5.200 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2cccc(Cl)c2C)NC1=O 409234911 AMTSZTACWPISGF-HYARGMPZSA-N 432.932 5.705 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC 409327026 GRHRYTJOYDBLPC-XDHOZWIPSA-N 429.588 5.388 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccc(OC)cc1 1531263070 JIEIBBFCDMPTFP-WGSZZJPSSA-N 440.341 5.058 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c(OC)c1 2443241 GRGJAQWAZGWUTR-APSNUPSMSA-N 442.846 5.268 30 40 IKEB CC1(C)CC(=O)[C@H]([C@H](C/C(=N/Nc2ccccc2)c2ccccc2)c2ccccc2)CO1 5180182 BSMWLMCESYEKFA-ZZTDIAQISA-N 426.560 6.061 30 40 IKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 8766260 BDPSWEFVRZVWCQ-LPYMAVHISA-N 429.387 5.865 30 40 IKEB C[C@H](/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1 8926059 NHIVKJVPLGQPJF-WVYNYODQSA-N 429.567 7.222 30 40 IKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccc2Cl)CC1 9291883 LRDDZEVYDOZQAT-UHFFFAOYSA-N 441.966 5.376 30 40 IKEB O=C(COc1cccc(Cl)c1)/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1 12546765 HYCXMWDSRXLBCS-XAYXJRQQSA-N 444.840 5.731 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(C(=O)C1CCCCC1)c1ccccc1N2 12652123 BGINIRZEPREMEX-VWLOTQADSA-N 434.967 6.427 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1O[C@H](C)C(=O)N(C)C 13042566 OURSJKYHNHQVQD-OAUONFCTSA-N 436.335 5.144 30 40 IKEB Clc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 13756608 OAJLBXBPGDIFFQ-AWUWXFTQSA-N 435.958 7.446 30 40 IKEB CCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)cc1 100233456 ZBFJZKMDAYPMIR-CFEZCKOSSA-N 428.557 6.280 30 40 IKEB Clc1ccccc1/C=N/c1ccc(Oc2ccc(/N=C/c3ccccc3Cl)cc2)cc1 100483959 ALDSXUXLVATGJO-YAGSLNJISA-N 445.349 8.287 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cc2cccc(OC)c2o1 101191448 GQEPPSXFKNUDJS-UHFFFAOYSA-N 448.548 5.234 30 40 IKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3/C(=N\[N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118929282 VIIVBTDLDAKMPX-CRLRWHAYSA-N 430.677 7.740 30 40 IKEB O=C1/C(=N\Nc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc2N1C1CSC1 223743634 JXGUGZNIFIBFEV-XYGWBWBKSA-N 446.281 5.290 30 40 IKEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(OCc4ccccc4)cc3)sc1CC2 408721857 AQLLCIBSXKNMSW-JVWAILMASA-N 426.541 6.247 30 40 IKEB CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 408769101 NWFFIOTZBJPWCS-OEAKJJBVSA-N 428.317 6.012 30 40 IKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(I)cc1 408778166 PWBQBHLMWZWTFN-WSDLNYQXSA-N 444.272 5.148 30 40 IKEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 408919158 UBVKOWDCWXKKOB-KKMKTNMSSA-N 443.330 6.803 30 40 IKEB COc1cccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1OC(C)C 408964977 JIASAUBGGJHHOC-MHWRWJLKSA-N 437.348 5.681 30 40 IKEB COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 408966106 LHQANVNCOSXKLK-ROTLSHHCSA-N 430.287 6.030 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)S2)cc1 408966272 ZCWZKBLWWPMRAS-WOJGMQOQSA-N 431.355 5.436 30 40 IKEB Cc1ccc(C(=O)O)cc1N=C1S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1C 409012924 RXNSYMAWKHYGIE-OBBBTXPFSA-N 436.464 5.326 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(OCc2cccc(F)c2)cc1 409095757 IWHOITPPGJNROB-RPPGKUMJSA-N 433.361 5.778 30 40 IKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccccc1Cl 409117419 NLYQYWDXKQUETO-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 1889152076 YGBQOUNQDOEMKJ-RYSVFEDASA-N 445.430 6.880 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 1080233 LPASXEOEVJVMQJ-UZTOHYMASA-N 446.506 5.922 30 40 IKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCCOc1ccccc1 2051506 GORWTVNFGXRIIH-UHFFFAOYSA-N 426.516 6.597 30 40 IKEB COc1cc(/C=N/NC(=S)Nc2ccccc2C)ccc1OCc1ccccc1Cl 3339271 IADYVAXANDPTRQ-AFUMVMLFSA-N 439.968 5.557 30 40 IKEB CCOc1ccc(Nc2nc(C)c(C(=O)/C=C\c3ccc(Cl)cc3Cl)s2)cc1 5732347 QYXSTIHICCBGGU-WZUFQYTHSA-N 433.360 6.797 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 6177258 JNAAZPVXVYVNER-RTXGADQUSA-N 431.319 5.224 30 40 IKEB CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(C)c(C)c1 8385200 VWJDRYKVGRMRDT-MAVBTGMRSA-N 429.973 5.245 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 8838240 AADBBVACNBZLQY-FQEVSTJZSA-N 446.553 5.758 30 40 IKEB COc1ccc(CN(CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1OC 9070957 RRSOUPVPFREUEZ-IWHLBADBSA-N 449.639 5.108 30 40 IKEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 14133423 FHBRZAQJYJZTCY-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(OC(F)F)cc1OC(F)F 15979659 ICFWZBMJTGHPOY-MDWZMJQESA-N 446.396 6.365 30 40 IKEB CN1CCc2nc(SCc3c(F)cccc3Cl)c(C#N)c(-c3cccs3)c2C1 19597352 LJYGYWVNYOEVQN-UHFFFAOYSA-N 429.973 5.754 30 40 IKEB COc1ccc([C@H](CNc2oc(-c3cccc4ccccc34)nc2C#N)N(C)C)cc1OC 27991323 CWQXINFHQGWSLK-QFIPXVFZSA-N 442.519 5.098 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)S2)cc1 33295120 NCNHMXBZHWLDOX-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccccc4[C@H]3C2)cc1 36352197 WOTSSRIGUXFNKR-NOZRDPDXSA-N 427.460 5.402 30 40 IKEB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(C#N)c2)cc1 71328070 FKHNMLUEYXLTRD-UHFFFAOYSA-N 434.565 5.046 30 40 IKEB O=C1Nc2cc(Br)ccc2N/C1=C/C(=O)c1ccc(OCc2ccccc2)cc1 77024243 ONJIMWJIBHGDJD-FYJGNVAPSA-N 449.304 5.159 30 40 IKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(C34C[C@H]5C[C@@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 100484317 VYVUKOXGKDCJMX-WGBJZAERSA-N 436.555 7.135 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 102535529 YFTNJXYEULJUHS-WOOAAIBNSA-N 438.936 5.348 30 40 IKEB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCCCC#N 107133583 LIODNKKPJCSDTJ-CADBVGFASA-N 428.577 5.779 30 40 IKEB C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224944487 YDKUOCWWJKDMPX-UHFFFAOYSA-N 448.755 5.205 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5cnn(C)c5C)C(=O)[C@@]4(C)CC[C@@H]32)C1 225597659 JMQZWPIAQPSGBR-DTWQFKEOSA-N 436.596 5.185 30 40 IKEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(/N=N\c3ccccc3)cc2)C1=O 408531850 HJFDYKNWZJERKH-HAHGTXQASA-N 425.448 5.012 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)ccc1OC 408916501 DORRJBOQCZVCFB-YWROOUKNSA-N 434.517 5.491 30 40 IKEB CCOC(=O)Cn1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 409083464 VLDHTKAMZQMTKS-BFWPAWLWSA-N 447.604 6.039 30 40 IKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1Cl 409119624 PUMACWQFGTXGIY-UHFFFAOYSA-N 437.967 6.667 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC 409208891 ASKZJVXFPBUTOO-LPYMAVHISA-N 435.305 5.622 30 40 IKEB Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccc(C)c(Cl)c2)c1 409216117 FHBZFCNWNYSUMW-MUFRIFMGSA-N 442.946 6.878 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(/N=C/c2ccccc2C)c2nc3ccccc3nc12 2343525 CCRDGGNQCAVCKV-STBIYBPSSA-N 442.567 5.058 30 40 IKEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1COc1ccccc1 2793407 UUYYRRKVNBNWDD-WYMLVPIESA-N 444.556 5.738 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)c(OCC)c2)SC1=S 2831826 YAHOOWRCMBPIFH-STZFKDTASA-N 425.575 5.360 30 40 IKEB CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 9272868 HJFUXBSXJKJLGI-QFIPXVFZSA-N 446.890 5.081 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@H]2c1ccccc1 10343846 STYSSPCPHAIVNH-MHZLTWQESA-N 443.591 5.316 30 40 IKEB Cc1ccc(-c2cs/c(=N\c3ccc(C)c(C)c3)n2/N=C/c2ccc(O)cc2O)cc1 12311851 UEXRPSUYAKXOPF-WTKIWQQCSA-N 429.545 5.668 30 40 IKEB N#CCSc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 12679132 CLDAPYQAJOSBJS-OAQYLSRUSA-N 425.604 5.011 30 40 IKEB COc1ccc(C(=O)[C@H](C)C(C#Cc2ccccc2)[C@@H](C)C(=O)c2ccc(OC)cc2)cc1 13633956 HILOGFVLUZLEML-NHCUHLMSSA-N 440.539 5.710 30 40 IKEB Cc1ccc(/N=C2\c3ccccc3C3=NC(=O)N[C@](c4ccccc4)(C(F)(F)F)N32)c(C)c1 14092641 UUOIXSUFCIKXRN-VSMOEHSHSA-N 448.448 5.582 30 40 IKEB COc1ccc(C(=O)[C@@H](C)C(C#Cc2ccccc2)[C@@H](C)C(=O)c2ccc(OC)cc2)cc1 18159091 HILOGFVLUZLEML-OIFTYBNWSA-N 440.539 5.710 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O 33618412 GDUBPGLBPMQIEE-UCQKPKSFSA-N 428.513 5.737 30 40 IKEB Cc1sc(N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)nc1-c1ccccc1 59193872 HFHARDMEQPIBSV-CVKSISIWSA-N 447.947 6.437 30 40 IKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(-c3nc4c(ccc5ccccc54)o3)cc1)OCO2 100506491 TWAVKWDMAPYKRF-LGJNPRDNSA-N 437.411 6.036 30 40 IKEB CCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525843 GVJMDNAODBOBHC-UHFFFAOYSA-N 438.365 8.401 30 40 IKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226339808 JKEPLJAEIAZRDI-UHFFFAOYSA-N 432.072 5.264 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408914794 XSKBYCKJUVVCKE-SRFBBOOGSA-N 445.500 5.666 30 40 IKEB Cc1cc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc(C)c1Br 409143408 MBODYVXTLUXKOE-UHFFFAOYSA-N 434.333 5.936 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409200350 ICURSFLCYOEQPC-KBKYJPHKSA-N 448.733 6.983 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409214688 ZVYBBLKKONFKRD-LGJNPRDNSA-N 434.750 7.375 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 409236370 FNWROIPUROVUTJ-YBFXNURJSA-N 429.328 6.453 30 40 IKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1 409248150 GJFWSBUMEHNUKU-AJBULDERSA-N 437.652 8.365 30 40 IKEB Cc1cccc(-n2cccc2C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c1 409305428 NBKMMVZGNGFNCU-UHFFFAOYSA-N 449.352 5.264 30 40 IKEB CC[C@@H](C)Oc1ccc(Cl)cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385031 PGOBIZYSNRHJOK-AKBIMGJMSA-N 431.923 5.776 30 40 IKEB Cc1cccc(OCCn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)c1 1312136 CRBBHMZATKZPNQ-WGOQTCKBSA-N 426.545 6.084 30 40 IKEB O=C(C1=C2NC(=O)c3c(sc4c3CCCC4)N2Cc2ccccc21)c1ccccc1Cl 1751986 NDIOARATQWLFCT-UHFFFAOYSA-N 446.959 5.595 30 40 IKEB CC(C)(C)c1ccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2c1 2386318 DZPHEQMCDNDBKY-UHFFFAOYSA-N 434.582 8.090 30 40 IKEB CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(OCC)cc3)cc2)cc1 2573039 HZVUQGCBMOUNCT-XHLNEMQHSA-N 429.560 7.178 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 3098419 IOUHODBDRMQFMG-OAQYLSRUSA-N 448.390 6.083 30 40 IKEB C(=N/c1ccc(-c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1)\c1c[nH]c2ccccc12 3146901 YUDMZKQKNPIPMK-LTTYKRRRSA-N 438.534 7.817 30 40 IKEB O=C1SC(c2cc(I)ccc2Cl)=N/C1=C/c1cccs1 3663529 QBBPKFLNJQFYRK-KPKJPENVSA-N 431.707 5.067 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C3CCCCC3)cc2)nnc1-c1ccncc1 6073562 SVTPIGOIEHHZLH-UHFFFAOYSA-N 433.581 5.305 30 40 IKEB CCOc1nc2sc(C(=O)Nc3ccc(OC)cc3)c(N)c2c(-c2ccccc2)c1C#N 8706706 SNSKKLCBXUODMY-UHFFFAOYSA-N 444.516 5.077 30 40 IKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC1=NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 8830089 XGBYPXJUPDRINW-CKLBMXLLSA-N 432.387 5.211 30 40 IKEB Cc1ccc(-n2c(N/N=C/c3ccc(Cl)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 12650497 XDMNSWDLCWHEDU-VULFUBBASA-N 448.979 5.734 30 40 IKEB Cc1cccc(COc2ccccc2/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)c1 14010256 PXNFAZOJKPAVLI-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1Br 16226585 WBRMKKSXBIIVPR-ZMOGYAJESA-N 430.729 6.158 30 40 IKEB Fc1ccccc1/C=N\c1ccc2nc(-c3ccc(/N=C/c4ccccc4F)cc3)oc2c1 16449081 URKJXCIMINMBRJ-FWWKHMOUSA-N 437.449 7.274 30 40 IKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc([N+](=O)[O-])c1 17099228 CPVPTGYDVVTIBS-QFIPXVFZSA-N 434.883 5.442 30 40 IKEB COc1ccc(C2=C(C(=O)c3ccccc3)[C@H](C)Nc3nc4ccccc4n32)cc1OC 20569233 GIKIRKWSHMQYFO-INIZCTEOSA-N 425.488 5.010 30 40 IKEB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/c3cccc4ccccc34)cc2)cc1OC 21964252 STOWESKKLWFUEA-XPZYNZBXSA-N 437.495 6.226 30 40 IKEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Sc2ccc(F)cc2)cc1 32828926 MUJFHYBDVPHPJZ-OAQYLSRUSA-N 449.532 5.267 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 38203064 WTLIIYHQOYKPOP-JXMROGBWSA-N 428.238 5.522 30 40 IKEB Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 44858893 IYEXEVVZDYNOHH-QHCPKHFHSA-N 426.520 5.102 30 40 IKEB CCCCSC(=O)[C@]1(C)CC[C@@H]2[C@H](CC=C3C[C@@H](OC(C)=O)CC[C@@]32C)[C@@H]1CC#N 104046799 JFFSTLYNUSZJBJ-VTQNKDBZSA-N 431.642 6.061 30 40 IKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 408591199 IZJAHIBQRIHSJC-DHRITJCHSA-N 440.883 5.695 30 40 IKEB CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 408674414 ZJSJQIDRZDNXJQ-ZSLQJQOZSA-N 441.568 5.120 30 40 IKEB CCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 408970651 JQVLFRLAYMCQJA-TURZUDJPSA-N 446.616 7.199 30 40 IKEB CCOc1cc2c(cc1/C=C1/SC(=Nc3ccc(Cl)c(Cl)c3)NC1=O)OCO2 409100930 XGLSVNVPDDDGHO-UBKPWBPPSA-N 437.304 5.012 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N/c3oc(-c4ccco4)c(-c4ccco4)c3C#N)c2C)c1 409375209 HEJYIFOWPVETGS-MUFRIFMGSA-N 435.483 7.138 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1O[C@H](C)CC 1531263385 QWKZYLNGMOBMEV-LZCVXGSNSA-N 442.357 5.171 30 40 IKEB CCCCCCCCn1c(NCc2cc(Br)ccc2O)nc2ccccc21 1824855 PWUHFMGJAIGCFS-UHFFFAOYSA-N 430.390 6.477 30 40 IKEB COc1cccc(OCCn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)c1 1851559 IXCFPPQOBDPXBE-WGOQTCKBSA-N 442.544 5.785 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cccc(Oc2ccccc2)c1 2063029 OPKVJJOYHAOZBQ-SSEXGKCCSA-N 445.562 7.942 30 40 IKEB CCCCOc1ccccc1[C@H]1C(C(=O)OCCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4712787 JTFHIBPPUAYFMW-QHCPKHFHSA-N 425.569 5.423 30 40 IKEB COc1ccccc1/C=N/Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 9058707 FOWJSPKAVTXHJL-DHRITJCHSA-N 427.485 5.524 30 40 IKEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O 9246690 DIVLXFWHENWOGG-BOPFTXTBSA-N 434.344 5.845 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccs1 10303449 NNWXFHWYUOFWAN-UHFFFAOYSA-N 425.366 5.230 30 40 IKEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(OC)c(OCc3ccccc3)c2)cc1 12466371 PXBFEAZUEIFSCE-MYYYXRDXSA-N 446.532 5.086 30 40 IKEB Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc3c(cc12)CCC3 13574810 IEYJIIYRBMYVIE-ZHACJKMWSA-N 445.569 5.577 30 40 IKEB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1Cl 13914182 AARDTOBHCWYFIL-NRFANRHFSA-N 449.334 5.188 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)c2cc(OC)ccc21 20650793 CMBHOEYVCJCPAT-DHRITJCHSA-N 446.547 5.224 30 40 IKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 33733348 WSBUHFHIXGMPCX-STZFKDTASA-N 431.473 5.065 30 40 IKEB Cc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c(Br)c1 35288719 QQHRBGQJDABJPN-UHFFFAOYSA-N 426.339 5.217 30 40 IKEB Cc1cc(Cl)c(O)c(/C=N/c2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 38162655 OGDCRASJGMUVKX-OPEKNORGSA-N 425.271 5.559 30 40 IKEB Cc1nc2ccccc2c(=O)n1/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 48374394 LWIPQJSHOBYWHE-LQKURTRISA-N 445.482 5.186 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)OC)c3)c2C)cc1 100212062 LUSAGJPRYFQTIS-VULFUBBASA-N 438.911 5.461 30 40 IKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N 225752536 FANAUADGKBTCMA-UHFFFAOYSA-N 431.363 6.494 30 40 IKEB Cc1cccc(COc2c(Cl)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)cc2Cl)c1 408750588 PCVSNXNTPGCRKK-VROXFSQNSA-N 431.279 5.630 30 40 IKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408937547 GUSGKCUTLLMCRJ-LQKURTRISA-N 428.919 6.863 30 40 IKEB Cc1ccc(COc2ccc(/C=N/c3oc(-c4ccco4)c(-c4ccco4)c3C#N)cc2)cc1 409375958 RIWRYQFHJRCIMM-OCSSWDANSA-N 448.478 7.309 30 40 IKEB COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(OC)c2)cc1 2442239 YZMHUJLYEPBXBQ-UHFFFAOYSA-N 428.517 5.115 30 40 IKEB C=COc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 3199723 GXPQQIRSQJMPTA-UHFFFAOYSA-N 430.467 6.694 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 8817686 UGRMMBSACGWDRF-HXUWFJFHSA-N 446.553 5.758 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(OCC)cc4)Oc4ccccc4[C@H]3C2)cc1 12194198 TXIIIWIVKKBGTQ-VPUSJEBWSA-N 426.516 5.892 30 40 IKEB FC(F)(F)c1ccccc1N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 12579296 WJWCNBXMZYPUAO-NDZAJKAJSA-N 431.461 7.621 30 40 IKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1 12652108 IMIYEASXSPIHHA-AREMUKBSSA-N 442.946 6.469 30 40 IKEB COC(=O)c1ccc(COc2ccccc2/C=C2\CCc3cc(OC)ccc3C2=O)cc1 13140830 ADHNONUXLDJNOE-PXLXIMEGSA-N 428.484 5.273 30 40 IKEB CCCCCC(=O)O[C@@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C 22129826 QRBQVZBJIUCHCA-FOVKYNBNSA-N 428.613 5.826 30 40 IKEB CC(C)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 59484846 DPDSYBKOAZMJIH-BLEOTABNSA-N 426.585 6.483 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1Br 100416833 BBECWGAEABMBCV-LJQANCHMSA-N 434.333 5.387 30 40 IKEB Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650580 VMKABKOQEAYYRU-RSTPCFTMSA-N 429.973 5.362 30 40 IKEB Brc1ccc(OCc2ccccc2)c(/C=N/c2ccc(N3CCCCC3)cc2)c1 111506657 PFWKEMGRHDDUQF-OVVQPSECSA-N 449.392 6.769 30 40 IKEB CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCC 408764134 LKRNYVPLSXKCPV-UYRXBGFRSA-N 430.957 5.591 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC 408765077 KCKJUJXDTURYMR-ZHZULCJRSA-N 440.952 5.205 30 40 IKEB COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O 408875835 LSLGYPKGWOLNMY-OQQMXVPDSA-N 440.996 6.531 30 40 IKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cc(Cl)ccc1Cl 409090039 PYNNOKANGCJRKV-JQAMDZJQSA-N 427.257 6.261 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409121260 UFKATIQBEJSSNS-UHFFFAOYSA-N 440.337 6.427 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 409212395 LVUBRQLMQWJASQ-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB Cc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N/OCc2ccc(C(C)(C)C)cc2)cc1 3105260 HCNLFCHZAUIJTI-BLCKFSMSSA-N 433.555 6.699 30 40 IKEB COc1ccc(NC(=S)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)cc1OC 3303835 IHRDWDAMZVMKHU-WGOQTCKBSA-N 444.560 5.183 30 40 IKEB Cc1ccc(N(CCC#N)C(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 3398421 PEIJSPBQJHRPPT-MRXNPFEDSA-N 436.606 5.164 30 40 IKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(-c2ccccc2)cc1 6177815 YYMIMPJRVUEAAN-LQKURTRISA-N 428.919 6.863 30 40 IKEB Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 6444149 HNPUZIKDJRSQAK-FQEVSTJZSA-N 449.579 6.715 30 40 IKEB C=CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC=C)c1 8395995 LCNDWZKLFJMSFO-OCKHKDLRSA-N 431.822 5.092 30 40 IKEB COc1ccc(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)cc1 8448441 ROALRBSFPQLWEX-UHFFFAOYSA-N 448.594 6.394 30 40 IKEB Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1 8951404 QLQURPUFSUZIKX-QQZPLFJDSA-N 449.001 5.344 30 40 IKEB O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OC/C=C/c3ccccc3)ccc21 9476831 YGYWXFZFWTVZJZ-UVSJPBNCSA-N 446.886 5.915 30 40 IKEB FC(F)(F)c1ccc(/C=N/n2c(-c3cccs3)cs/c2=N\Cc2ccccc2)cc1 12603045 HPWKOALQPDYHOM-FNZVKDCWSA-N 443.519 6.280 30 40 IKEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(C3CCCCC3)cc2)nc1C 12736553 HIDHERFTZFITPU-UHFFFAOYSA-N 439.610 5.485 30 40 IKEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1sc2cccc(F)c2c1C 13096933 VRJGQYMTBYYMBQ-UHFFFAOYSA-N 434.286 5.601 30 40 IKEB COc1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 13567791 KVTJAECFRDAAPE-IBGZPJMESA-N 449.547 5.185 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc4ccccc4c3)c2C#N)C1 14271537 RTJHLBXKOFPWHS-SFHVURJKSA-N 447.629 6.051 30 40 IKEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)c(OC)c1 15016385 ICKZNRJEPMIZRU-ODLFYWEKSA-N 449.498 5.452 30 40 IKEB CN(C)c1ccc(/C(=C/C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)c2ccccc2)cc1 16186309 NSSBKBYEHKDZPS-UHFFFAOYSA-N 431.603 6.477 30 40 IKEB CCN(CC)C(=S)SC/C(=N/N(c1ccccc1)c1ccccc1)c1ccccc1 18192320 OAAMKNVORXRUGC-LCUIJRPUSA-N 433.646 6.589 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC 19641344 QXCHNEVRCWRNJA-BVGVAWRYSA-N 444.556 5.816 30 40 IKEB COCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)S/C1=N\c1ccccc1 32109617 OIOFWBZESKJEDA-OQNHBUHUSA-N 446.528 5.400 30 40 IKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)cc1C 33027024 YLTQUPRZTYJZPP-UHFFFAOYSA-N 433.895 6.268 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccc(OC)cc2)cc1 59464322 YOHAQZIWXRYNJN-MFKUBSTISA-N 445.500 6.153 30 40 IKEB CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)CCCC1=O 100139562 KDZWEMBFYGJDBW-UHFFFAOYSA-N 436.474 5.273 30 40 IKEB COc1ccc(/C=N\c2ccc(Oc3ccc(/N=C\c4ccc(OC)cc4)cc3)cc2)cc1 103307785 SSNRMSCFXPROTC-NAZWXXJZSA-N 436.511 6.997 30 40 IKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@H]12 253497846 PXDOMWMSMCFAEF-ALEQRSEQSA-N 444.562 6.254 30 40 IKEB CCOc1c(Br)cc(/C=N/OCc2ccccc2C#N)cc1Br 408595969 YIKNRHMNWBUAOO-UFFVCSGVSA-N 438.119 5.033 30 40 IKEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408605233 XRCKICHAVCTSNT-UHFFFAOYSA-N 444.112 5.044 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408667639 BWZWJDKLYCLOKQ-WNLYKICVSA-N 436.596 5.858 30 40 IKEB Cc1cc(Br)ccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408737424 ABMGYOCQRHGTAW-FSJBWODESA-N 446.186 6.678 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(I)cc3)c2C)cc1 408763538 PNXLLPWXADMFIK-UCQKPKSFSA-N 428.317 6.012 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3O)c2C(=O)Nc2ccccc2)C1 409078636 HSDQQOJJGIAXQM-GEGDGZKASA-N 432.589 6.608 30 40 IKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Br)c1O 409090262 LUXDHQRXXABAAS-DDFZXGMKSA-N 447.398 5.998 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OCC 409109927 OAGYJNUXFXJZRA-ATVHPVEESA-N 428.326 5.320 30 40 IKEB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)o2)cc1[N+](=O)[O-] 409168128 KKQFCRLMSOGSQU-SRZZPIQSSA-N 445.456 5.271 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 409212438 MHQCXZWSFRAMKV-SOFYXZRVSA-N 434.260 5.010 30 40 IKEB S=C1/C(=N\c2ccccc2)N(c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 2122608 DCWAWJOUIVROSI-WSECFMCKSA-N 432.552 6.759 30 40 IKEB Oc1ccccc1/C=N/[C@H]1c2ccccc2O[C@@]2(/N=C/c3ccccc3O)CCCC[C@H]12 8826589 PPJFANUQDXSZTQ-GTUDIDQQSA-N 426.516 5.656 30 40 IKEB N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1Sc1ccc(Br)cc1 8873862 RTOVDEDQDNXLPZ-UHFFFAOYSA-N 435.268 6.553 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1cccs1 12564689 BBKYVZZVKUFMFO-JLHYYAGUSA-N 435.346 6.259 30 40 IKEB CC(C)C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Oc2ccccc2)c1 12856308 BEFUWMVQNXRZDW-WRONEBCDSA-N 438.571 7.337 30 40 IKEB CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 13940128 BLFMUAKOVRKFSK-UYRXBGFRSA-N 441.980 6.181 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 16735780 FOTAODVASHTWEO-RUZDIDTESA-N 425.528 5.897 30 40 IKEB Cc1ccc(C)c(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 21721964 HMWDLWIUMFVQOQ-MHZLTWQESA-N 441.531 5.515 30 40 IKEB C=CCNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 27017215 BCAZJMZWVQRQFY-HAVVHWLPSA-N 432.907 5.205 30 40 IKEB C=CCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)(F)F)cc(-c3ccco3)c21 36612857 GSJVDYBDYATTQB-UHFFFAOYSA-N 448.451 5.624 30 40 IKEB Cc1cccc(/N=C2/Sc3nc4c(C)c(C)ccc4cc3CN2CCN2CCOCC2)c1 57713020 FRJAILGXXXSCHA-CYYJNZCTSA-N 446.620 5.088 30 40 IKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2C)c1O 100248083 ZEMRMSDTMUNMKB-XODNFHPESA-N 449.856 7.314 30 40 IKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C#N 225767090 UWUSAKQBKBTMOA-UHFFFAOYSA-N 445.390 6.885 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccccc2Br)S/C1=N/c1ccccc1 408928826 LAMVFKMBLJFZQV-VWTGEQJNSA-N 431.355 5.090 30 40 IKEB COc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 409086613 RGEXIKQOAWZCEV-BKBIYGFMSA-N 446.616 6.911 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 409214849 UYRPPWIVEXYCCB-VULFUBBASA-N 430.331 6.730 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3ccccc3OCC#N)c(C#N)c2-c2ccc(C)cc2)cc1 409351815 ZIXWXLNJMYOALE-FDAWAROLSA-N 431.495 6.755 30 40 IKEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O 1081801601 YKCFBZLHKFKMBQ-XYHOIZSOSA-N 448.858 5.111 30 40 IKEB Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccc(N(C)C)cc1)N2 1041021 BCPIAOICEJLSCK-RUZDIDTESA-N 426.564 5.556 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1 1240580 MVWWARRUEKVQGD-WYMPLXKRSA-N 442.309 5.707 30 40 IKEB CCOc1ccc(OCC)c(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 1354508 DCWHGOZSOLHZLF-UHFFFAOYSA-N 435.549 5.252 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O 2807315 OYOOXVFUTXGTNZ-GZAOZUBMSA-N 430.529 5.826 30 40 IKEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 8996267 DXCFOPCZNVXJEO-HSZRJFAPSA-N 442.515 5.171 30 40 IKEB C=CCn1c(SCc2csc(CC(=O)Nc3cc(C)ccc3C)n2)nc2ccccc21 9245340 XEDDPPSYOVSQAQ-UHFFFAOYSA-N 448.617 5.769 30 40 IKEB N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCCc3ccccc32)c1 9317154 CZNOAZKYQSRTBM-HSZRJFAPSA-N 441.556 5.096 30 40 IKEB C=CCn1c(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)nnc1-c1ccoc1C 12763332 MDVWETAEEJFPAY-UHFFFAOYSA-N 440.528 5.692 30 40 IKEB CC(C)c1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 102401973 KSLNEJOAAJBDPU-ULWNEYHBSA-N 425.528 5.474 30 40 IKEB CCCCO[C@H](C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103539405 KJCKRWOXJGZHJF-ZETCQYMHSA-N 432.245 5.607 30 40 IKEB COc1cccc(/C=N/C[C@@]2(O)CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O 118918852 PFLCXOYUUHWAGR-FSGDKBOUSA-N 439.640 5.984 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 224369855 FNKAISCUATURPH-UHFFFAOYSA-N 434.561 5.444 30 40 IKEB Cc1cc(N=C[C@@H](C#N)c2ccc(C(C#N)=Nc3ccc(N(C)C)cc3)cc2)cc(C)c1N=O 245239353 ICDYXACODOPILD-JOCHJYFZSA-N 448.530 6.421 30 40 IKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 408592094 XPXQIGQJYQFRPZ-SSDVNMTOSA-N 443.847 5.019 30 40 IKEB COc1ccc(C(=O)Oc2cccc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2)cc1 408889493 DCPFEVOWCOSFJO-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB CC(C)(C)[C@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccccc1Cl 408919733 BTYPDISSVFSOGC-CQSZACIVSA-N 448.766 5.110 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC 408970150 BRJZFDWCBVPUOS-WPWMEQJKSA-N 448.588 6.427 30 40 IKEB CCCCOC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)cc1 409063306 KGGVSFMAOJDWEK-YUMHPJSZSA-N 432.545 6.466 30 40 IKEB Cc1ccsc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CC[C@@H](C(C)(C)C)C2 409085869 SVTKLPKJHYAUFS-JAYSCUBMSA-N 440.634 6.543 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O 409103796 YZZMXVOYWUVPAY-XDHOZWIPSA-N 447.915 5.679 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1cccc(Cl)c1 409111257 BBEIVGWONKWDRC-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB CC(C)n1cc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 409153482 ICKYLOQYSCLTBE-JMCHZZBBSA-N 437.568 7.031 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OCC 409199343 CJPTZRLKUJKIBY-FKSSYULRSA-N 445.028 6.972 30 40 IKEB COc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409200683 JRRFKKSKWQPWTD-YDZHTSKRSA-N 441.281 5.696 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1Cl 409218832 LGRVAMZRRGAPKT-RPPGKUMJSA-N 447.749 6.723 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C(C)C)c(OC)cc1C 409285269 WCQWMKNQXNEESI-UHFFFAOYSA-N 442.357 5.044 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)cc1 409318948 ZAFFTWDSHCJLPL-UHFFFAOYSA-N 442.357 5.171 30 40 IKEB COc1cc(/C=C2/Sc3ccccc3C2=O)cc(Cl)c1OCc1ccccc1C#N 409325515 ZKRQKAUANGABPQ-WSDLNYQXSA-N 433.916 6.129 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O 409327514 KKWPCMXUILEVNO-LDADJPATSA-N 446.391 5.728 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504206199 HDTQUHRXMVKWMI-OXLATIBQSA-N 442.728 8.638 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OC(C)C 1531277928 HFHZZHNTDPUIMY-MMTYYTLLSA-N 442.357 5.342 30 40 IKEB O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)NCCc1ccccc1 1058997 GORLEAICECERQT-JFLMPSFJSA-N 449.576 5.637 30 40 IKEB N#Cc1ccccc1Cn1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)c2ccccc21 2209190 KYZHDALYBFZPPU-BKUYFWCQSA-N 436.898 6.196 30 40 IKEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 2615878 VEFOAIMQKHAPHP-UHFFFAOYSA-N 437.594 5.246 30 40 IKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 3144980 XOMLDDQMPKXUBC-BLZGDTNESA-N 425.488 7.116 30 40 IKEB CCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 6162440 IPURPGRSMNANST-VWLOTQADSA-N 430.548 5.390 30 40 IKEB Clc1ccccc1CN/N=C/c1ccc(OCc2ccccc2)c(Br)c1 8811328 IQHLLHYIHZZORE-ZMOGYAJESA-N 429.745 5.805 30 40 IKEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 9086066 KRMWPKMMWHBYRD-SFHVURJKSA-N 448.744 5.481 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1 9296702 MHQVCTXHXIKVRG-XDHOZWIPSA-N 438.892 5.278 30 40 IKEB Cc1cc2nc(-c3cc(/N=C/c4cc(Br)ccc4O)ccc3O)oc2cc1C 13899118 BHXJYXZAKGPJFG-BHGWPJFGSA-N 437.293 6.036 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1cccs1 15826253 DQVKWHBFOOKMBA-DEOSSOPVSA-N 443.572 6.597 30 40 IKEB Cc1nn(CSc2nc(C(F)(F)F)cc(-c3ccccc3)c2C#N)c(C)c1[N+](=O)[O-] 17098368 RTJARSFDGOCJJN-UHFFFAOYSA-N 433.415 5.110 30 40 IKEB CCCCCCn1c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)nc2ccccc21 19802676 QEDLGKNJIKHLDF-LPYMAVHISA-N 445.317 5.744 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 33446515 KQWAQSIIYFHTFD-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 33725617 MWWMRRUDDGMJNC-ALCCZGGFSA-N 431.395 5.451 30 40 IKEB O=C1/C(=C\c2ccc(Cl)cc2)CN(Cc2ccccc2)C/C1=C\c1ccc(Cl)cc1 33922071 OSUWILFLOHLUFU-OQRYGUKSSA-N 434.366 6.545 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccccc1F 59418047 VIEDMCPKHNFAQG-FYJGNVAPSA-N 438.911 5.950 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 59459531 PGBFSGQQHSERNN-VNSNFZHPSA-N 438.358 5.761 30 40 IKEB CC1(C)OC(c2ccccc2)=C/C(=C\C=N\c2ccc(Cl)cc2C(=O)c2ccccc2)O1 83294455 LRYWPGGNVAJLHF-HRNGPSPFSA-N 443.930 6.981 30 40 IKEB Cc1ccc(/C(CSc2nccn2-c2ncc(C(F)(F)F)cc2Cl)=N\O)cc1 100134983 WYIJLEQFAWCCIN-MYYYXRDXSA-N 426.851 5.219 30 40 IKEB COC(=O)N[C@@H](Sc1cccc2ncccc12)C(F)(F)C(F)(F)C(F)(F)C(F)F 101673281 JUDIXCYARVSOEV-LBPRGKRZSA-N 448.335 5.180 30 40 IKEB C=CCN(c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 224372304 AJOKNSUCKLZWAF-UHFFFAOYSA-N 440.952 5.282 30 40 IKEB C=CCOC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccc(Br)cc12 226360612 SBMXZXAXPPZAKV-UHFFFAOYSA-N 444.328 6.259 30 40 IKEB Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(C)cc4C)o3)S2)c1 408721686 XBUBXNQTARKBCR-JJFYIABZSA-N 447.516 5.980 30 40 IKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)S1 408780875 MMJJDGAWHQCJCD-PDGQHHTCSA-N 432.530 5.507 30 40 IKEB CC(C)(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 408784786 VBPIRMMCPDJNOK-MIXAMLLLSA-N 430.617 6.605 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N\c3ccccc3C)c2C)ccc1I 408788348 DYJHTNOBKNUWLS-QRVIBDJDSA-N 428.317 6.066 30 40 IKEB CC(C)N1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)S/C1=N\c1ccccc1 408912430 QJSSWRVONPWNTI-PPSMZDETSA-N 445.338 5.190 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S/C1=N\c1ccccc1 408915044 WQPGPAXHWZIVQZ-LBMUFILHSA-N 447.516 6.177 30 40 IKEB CCOCCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)S/C1=N/c1ccccc1 408929488 KCNJRRNYXBFJJW-LEGXJBLQSA-N 447.560 5.126 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)S1 408955593 XUQAODJDNZSDKS-STZFKDTASA-N 436.968 5.397 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409208276 AFHXDXPZYDURDY-AFUMVMLFSA-N 440.883 5.985 30 40 IKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 409211234 IHTDTTUSTVYYEJ-MZJWZYIUSA-N 428.359 7.339 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)S/C1=N/c1ccc(OC)cc1 409224709 ISGYFZQEDYHQCL-VCICBFQVSA-N 449.551 5.866 30 40 IKEB COc1ccc(NC(=S)NN=C/C=C(\Cl)c2ccc(Cl)cc2)c(C(F)(F)F)c1 575628239 LTBMNFZBNXPHQL-HTTBBQMUSA-N 448.297 5.920 30 40 IKEB Cc1[nH]c2ccccc2c1/C=N\n1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 1531209923 DBGRQPINSIPUNZ-MSXFZWOLSA-N 437.341 5.128 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781256 LNQPVILKDZBTBG-AOMKIAJQSA-N 425.525 5.200 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C 3094385 RHGHZHMOYQBWSC-QHCPKHFHSA-N 425.569 5.421 30 40 IKEB COc1ccc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CCC3)c(OC)c1 4108598 CRXDTZOKMNTLSJ-CVKSISIWSA-N 449.576 5.323 30 40 IKEB Cn1c2ccccc2c2nnc(N/N=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)nc21 8452991 ZSECZMAIFWIEJE-RPPGKUMJSA-N 436.397 5.241 30 40 IKEB N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc2c(c1)OCO2 10037336 AQPVYWPKOKDXNY-UHFFFAOYSA-N 437.499 5.219 30 40 IKEB C=CCn1c(SCc2cc3ccc(C)cc3nc2Cl)nnc1-c1ccccc1OC 13074696 VNHPLEWZAXYUTQ-UHFFFAOYSA-N 436.968 5.942 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccc(C)cc2)N(CC)C1=O 13546947 LXYQEMYXQSEUKH-HXNPFYCNSA-N 430.573 6.561 30 40 IKEB C=CCN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1nc(-c2ccccc2)cs1 15608256 SCIBXCQJYQFECW-HSZRJFAPSA-N 429.545 5.293 30 40 IKEB CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 15986526 OWBMTJJHYMBJEF-HPNDGRJYSA-N 447.951 5.694 30 40 IKEB C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S 27018217 ULGOPIMUDONJBH-QNGOZBTKSA-N 447.585 5.325 30 40 IKEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 28182812 BNCBZIGIGYJUDJ-CFRMEGHHSA-N 434.536 5.224 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(N2CCCCC2)cc1F 35144555 WTTULEPWXSGCGF-MTDXEUNCSA-N 426.495 5.075 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccccc3OC)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463757 XNGWWYJUZWHDKM-MFKUBSTISA-N 445.500 6.153 30 40 IKEB CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 72132285 GRAAWEGTURLYKP-MVTMSODMSA-N 442.684 7.571 30 40 IKEB in-vitro CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 100221266 HIJAXYPXZLERBN-CVKSISIWSA-N 445.028 6.492 30 40 IKEB COc1cccc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O 109502584 QZPAZLBFBUDUMA-FOKLQQMPSA-N 439.265 5.428 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nc(C)cc(C)n3)c2C#N)C1 408582022 LDLVBKRLWZONIQ-HNNXBMFYSA-N 428.627 5.299 30 40 IKEB N#Cc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)cc2)cc1 408633895 MWVATKJKBQLGBU-XKZIYDEJSA-N 427.485 5.231 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C/c1cc(/N=N/c2ccccc2Cl)ccc1O 408724458 KQJVRDNZUUHOOF-UAHUMQQQSA-N 434.908 6.353 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cc1)N1CCc2ccccc2C1 408729310 DJGZNPNIKATHOE-AFUMVMLFSA-N 445.371 5.491 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1 408758640 OHVJIZUMSNKHHP-JAIQZWGSSA-N 442.371 6.293 30 40 IKEB C#CCn1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 408909842 HRAPAZKRELFGSL-QRQIAZFYSA-N 437.568 6.218 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408913346 QBYXIXJLFCBHBY-AQQMAPHHSA-N 441.509 5.020 30 40 IKEB N#Cc1c(N)ncc(-c2ccccc2)c1-c1c(OCc2ccccc2)ccc2ccccc12 408977478 DPWUBZIRAUPWFQ-UHFFFAOYSA-N 427.507 6.602 30 40 IKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(-c2cccc(Cl)c2)o1 409283568 JLOFJDAJANSDNV-UHFFFAOYSA-N 431.923 6.240 30 40 IKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccc(Cl)cc1 409294676 CDRPDURIRPESFI-UHFFFAOYSA-N 427.813 5.618 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)NCc1ccccc1 1032105 VJOZSIMITSOYMF-UHFFFAOYSA-N 433.480 5.109 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1C 2627420 ZGSZCNPXIKMLAP-UHFFFAOYSA-N 435.574 5.231 30 40 IKEB Cc1ccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c(C)c1 3081534 XZGMOMHNRZQCNW-JQUAZWMLSA-N 434.333 6.435 30 40 IKEB CCOc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 8399865 FZFSZHXVPDKCMF-ZBISPMLPSA-N 445.566 7.192 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 8615979 FKBGHOIYIHEXNW-GIDFYXQGSA-N 426.578 5.331 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)O)c3)[C@@H]2c2ccc(Cl)cc2)cc1 8902675 KXVGCKQUNYHQRK-OAQYLSRUSA-N 447.874 5.130 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C)cc2)cc1 9272963 BNCHRZHHDKYFIN-JOCHJYFZSA-N 440.524 5.696 30 40 IKEB O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccccc1 9331650 MYLZHQLBGNDDDQ-HXUWFJFHSA-N 441.380 5.627 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc23)c(OC)c1 9428587 BZOVXRBOVHBUTF-JVWAILMASA-N 442.519 5.547 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1ccccc1)[C@@H]2c1ccco1 20503211 JMKHRWRTKOJKCW-AREMUKBSSA-N 441.531 5.535 30 40 IKEB C=CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 27489096 KYCLETROIHSORM-XMMPIXPASA-N 443.344 6.329 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(O)c1 30738717 QOLWMZKVRGKFRI-BEIQUOEZSA-N 425.579 5.557 30 40 IKEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccc(Cl)cc1 102602114 WFFZWQJUYCGRDV-LFVOPCPISA-N 428.271 5.208 30 40 IKEB CCCCCCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 102818243 GRAWETCQDORAGY-UHFFFAOYSA-N 444.579 6.122 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)nc2ccccc21 408692083 DAAFISRESAGPGW-ZVHZXABRSA-N 436.357 5.672 30 40 IKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3C)c2C)cc1 408742500 PIIPCSFJLBYCMY-ZMOGYAJESA-N 425.326 5.702 30 40 IKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Br 408931701 PEEGWGGRRUVHBY-PCLIKHOPSA-N 438.369 5.444 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1C 408974662 GIJGKMHJHHXOAS-MFKUBSTISA-N 428.517 6.448 30 40 IKEB C=CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1OC 408977424 IWQRCRROVTZSHX-WPWMEQJKSA-N 432.589 7.182 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1cccc(F)c1 408979999 PGYUINOZNZMBAU-UHFFFAOYSA-N 439.490 5.905 30 40 IKEB COc1ccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1Cl 409024934 ZLSOAQXNTJOTMV-AFUMVMLFSA-N 431.001 6.102 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)C1=O 409040670 HLQYCWFQXUTFDF-XDHOZWIPSA-N 445.899 5.126 30 40 IKEB CCOc1ccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 409200201 GZBITYMBGBZXQA-AJBULDERSA-N 431.535 7.721 30 40 IKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2sccc2C)cc1C(C)C 409305737 XECFSIMMRSCSDX-UHFFFAOYSA-N 431.561 5.756 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(C)c2ccccc12 409320424 AVEJPJBVELQODC-AWEZNQCLSA-N 437.341 5.046 30 40 IKEB CCCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)SC1=S 409328959 BCUQUIZOVGGAJK-LPYMAVHISA-N 431.586 5.481 30 40 IKEB C=CCOc1ccc(/C=N/n2c([C@H](C)CC)nc3ccc(Br)cc3c2=O)cc1 1531304586 KWNLNWCKMFISBS-LZCVXGSNSA-N 440.341 5.120 30 40 IKEB O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCc2ccccc2C1 716675 WIKKNMOJGPBWRW-FAJYDZGRSA-N 435.449 5.189 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F 878390 LQKQDGKVWVCMAN-HSZRJFAPSA-N 434.511 5.077 30 40 IKEB CCCCCCCCCn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21 2363944 VSNFTFMUCWXJTD-UHFFFAOYSA-N 434.584 6.466 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3C(=O)c3ccccc3)c2C#N)C1 2744321 JKKZDNGUKYWROQ-GOSISDBHSA-N 442.584 6.254 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)cc1 3146380 BSKNHUYOLRAHTQ-DEOSSOPVSA-N 439.596 5.813 30 40 IKEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(F)c2)c1 3608141 OVVCROBAXPHENG-UHFFFAOYSA-N 444.915 5.113 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 8838239 AADBBVACNBZLQY-HXUWFJFHSA-N 446.553 5.758 30 40 IKEB Clc1ccc(CO/N=C/c2c(SCc3ccccc3)nc3sccn23)c(Cl)c1 8855381 XCIIFZMZOXFJEN-FOKLQQMPSA-N 448.400 6.546 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccs1)N(C(=O)C1CC1)c1ccccc1N2 9272080 ZHQYSJCZMJRFFK-BCHFMIIMSA-N 440.568 6.059 30 40 IKEB COC(=O)c1ccc(NC(=O)c2c(/N=C/c3cccc(OC)c3)sc3c2CCCC3)cc1 15945836 BBKFIXLRMXOYLI-CVKSISIWSA-N 448.544 5.425 30 40 IKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NCc1ccc(F)cc1 39404148 WQVOQPMIGSBIIP-UHFFFAOYSA-N 439.446 6.290 30 40 IKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 59459388 XPJOYSVOXIQYGK-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB CC/C(C)=N\Nc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)c(Cl)c2s1 72229013 CMWNTMNJIWVCBG-OPVMPGTRSA-N 441.771 6.707 30 40 IKEB C[C@@H]1C/C(=C/c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1 245264628 DPCPTISPIMFHIU-BXYYLCOUSA-N 446.182 6.678 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 253617461 NVFBLCBUSIGTCH-TZZFNVANSA-N 444.637 5.681 30 40 IKEB CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)o1 408851317 XUPRHQADAHWSHU-MYYYXRDXSA-N 425.554 5.340 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 408862695 IMEJBWSBZWMHJA-QKUVWEBHSA-N 431.561 5.772 30 40 IKEB CCOc1c(Br)cc(C=C2C(=O)c3ccccc3C2=O)cc1Br 408910412 KDDLMBPJYJACEG-UHFFFAOYSA-N 436.099 5.073 30 40 IKEB CCCOc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 408972175 TXZPNUQLRNPKKQ-TURZUDJPSA-N 446.616 7.199 30 40 IKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(=O)N3CCCCCC3)c12 409129597 URZMSRGDMFLRSF-UHFFFAOYSA-N 440.543 5.069 30 40 IKEB C=CCc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(OC)c1OCC 1531382714 IOYGKFVZWMTABB-MTDXEUNCSA-N 439.515 5.082 30 40 IKEB COc1cc(C2=C3C(=O)CC(C)(C)C[C@@H]3Nc3ccc4ncccc4c32)ccc1OC(C)=O 1072440 ZYXMJPUTWGUMEF-FQEVSTJZSA-N 442.515 5.154 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(-c2ccccc2F)o1 2186403 VRIDZDMTQPFRSL-MUUNZHRXSA-N 437.514 7.548 30 40 IKEB CCCCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 2294993 PVAUJKCPEHMIQR-OAHLLOKOSA-N 446.686 5.856 30 40 IKEB C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 2416938 RZWGJNIUSNQWAG-JOCHJYFZSA-N 444.874 5.156 30 40 IKEB Cc1ccccc1-n1nc(C)c2c1NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc2c(c1)OCO2 3257802 ISIRFAZESBKVDP-XMMPIXPASA-N 447.494 5.383 30 40 IKEB Cc1cc(C)nc(N/C(=N\C(=S)Nc2cccc(Cl)c2C)NCc2ccccc2)n1 8757291 RVELXSFCWAXUAD-UHFFFAOYSA-N 438.988 5.010 30 40 IKEB Cc1ccc(Sc2nc3sccn3c2/C=N/OCc2c(Cl)cccc2Cl)cc1 8855340 XXGHVJNHWSDZDP-FOKLQQMPSA-N 448.400 6.713 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccccc1)c1ccccc1N2 9264146 PTLWWTDWVKTKCF-VWLOTQADSA-N 443.934 6.552 30 40 IKEB Cc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)CC[C@](C#N)(c2ccccc2)C3)cc1 9512368 HKDACAUNLZMPAN-LJAQVGFWSA-N 434.608 7.101 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2 12347979 BLVYYHHPVIVNLD-XMMPIXPASA-N 433.511 5.397 30 40 IKEB Cc1cc(C)c2nc(N/N=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)cc(C)c2c1 14360110 YQFAWMSZXARXJQ-LGJNPRDNSA-N 444.520 5.455 30 40 IKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 16637029 MUXGXJMDMGWJPC-AWQFTUOYSA-N 440.681 5.206 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 16638607 ACZFUGFQGNQCIF-NLRVBDNBSA-N 432.476 6.134 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)-c2ccccc2C3)cc(Br)c1O 25424631 XLXBDHVJSLADJK-JXMROGBWSA-N 435.317 6.021 30 40 IKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl 33957398 KAZZDRRNZVOQBJ-MFOMESQVSA-N 441.402 7.030 30 40 IKEB CCCn1c(=O)c(C(=O)/C=C/c2ccccc2C)c(-c2ccccc2)c2cc(Cl)ccc21 95116611 OJCVGFUUUKHAGT-DTQAZKPQSA-N 441.958 6.936 30 40 IKEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102649422 MZSMBVNVHXRFAN-RXTQHAMCSA-N 439.939 5.064 30 40 IKEB CCCCCCCCCCCCSC(=S)NC1c2ccccc2Oc2ccccc21 104249254 LZYYDZKWKYBVJG-UHFFFAOYSA-N 441.706 8.410 30 40 IKEB CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)S/C1=N\c1ccccc1 223484930 JQIGWLKZZUCQEL-KKOPTWAASA-N 445.632 6.721 30 40 IKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@H](O)C[C@@H]1O 245189648 ZGLHBRQAEXKACO-YQSRWCODSA-N 428.657 5.727 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OCc2ccccc2)cc1 409058902 ZIDAGEFRDSXMNZ-WPWMEQJKSA-N 433.964 6.879 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409117684 PXSIWFNJXZNQJT-UHFFFAOYSA-N 446.547 6.530 30 40 IKEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Sc2ccccc2)o1 409301022 ZIRUEMWDWNNEQX-UHFFFAOYSA-N 440.322 5.094 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(OCC)c1OCc1ccccc1 409350355 XYUUGSMCBZCQJC-RCCKNPSSSA-N 439.602 5.614 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1c(C)cccc1C 992349 TVEUZCVLQJDPAK-ZJJRIXMCSA-N 435.593 5.573 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OCCC(C)C)c2)o1 1019955 CBYNSGURWQTNBK-HSZRJFAPSA-N 449.503 5.384 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2216026 BZGYGMJSBJBICM-UHFFFAOYSA-N 441.535 5.263 30 40 IKEB C=CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)SC3 2280518 LDVKCSGPHCANKW-UHFFFAOYSA-N 442.631 5.187 30 40 IKEB C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)nnc1C1CCCCC1 7734406 SSJKZCDEZIXVFN-HNNXBMFYSA-N 425.558 5.424 30 40 IKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1cccc2ccccc12 8812017 JCTVZVYEEHUDNF-FDAWAROLSA-N 437.974 6.928 30 40 IKEB Fc1ccc(CO/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 8873131 CGMRRCHRLXHWSU-MZJWZYIUSA-N 436.939 6.870 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1 8990014 SOZVCIUPZKNWRA-UHFFFAOYSA-N 435.552 6.327 30 40 IKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)N2CCc3ccccc32)n1 9423913 SNSLLXJSLVWSBE-UHFFFAOYSA-N 447.526 5.731 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 12565832 UIHAVGJLMIFGKQ-LJQDGHHOSA-N 448.950 5.232 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1ccccc1 12652067 DNZMYUGACKGLFJ-XMMPIXPASA-N 428.557 6.205 30 40 IKEB FC(F)(F)c1cnc(-c2ccc(/C=N/OCc3ccccc3Cl)cc2)c(Cl)c1 22996423 URUBEKJNXKRDKP-YPXUMCKCSA-N 425.237 6.625 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1OC 33097107 UJPJRKNWBKBOKH-CGINZGNNSA-N 436.577 6.031 30 40 IKEB COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 36512708 JTPGPCPTIZVXAF-OAQYLSRUSA-N 439.552 5.526 30 40 IKEB C#CCN(Cc1cccnc1)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 72270422 BCHRXCPBCZCWRK-UHFFFAOYSA-N 437.446 5.026 30 40 IKEB C=CCn1c(S[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)nnc1-c1ccco1 79024313 OEMJGDSLVVRWDI-FQEVSTJZSA-N 441.516 5.656 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 100284945 JUGUYCBWOZLTCY-UHFFFAOYSA-N 447.417 7.613 30 40 IKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 100870604 VGYMEBWQLDCBIR-WLNJGUEYSA-N 438.518 6.325 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cc(Br)ccc1OCc1ccccc1F 408595694 MMHXPCCEXFZIMO-LGJNPRDNSA-N 439.284 5.590 30 40 IKEB C=CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1Br 408634365 QCOSKNSJWSLHBB-BOPFTXTBSA-N 432.295 5.373 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)nc2ccccc21 408692963 ZLBXDNVWJLFZQW-ZMOGYAJESA-N 436.903 5.471 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1ccccc1Cl 408806235 BHQSXLIQQPSXEZ-UNOMPAQXSA-N 429.925 5.322 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1 408855142 CKWUEBOPSPRAHB-FRJDLFPQSA-N 427.614 5.818 30 40 IKEB COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 408934447 ATOABYCADJWBHR-KERJXVQQSA-N 428.963 7.234 30 40 IKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC 408943933 SSTSGKJPRNWSDI-HVGHKUKKSA-N 438.571 7.061 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1Cl 409062579 XAQXOGPFPLQXAZ-BOPFTXTBSA-N 434.300 5.255 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409202637 SLNUMZWOWJLFNT-OPEKNORGSA-N 449.721 7.193 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc(F)c1 409208793 DIYVBIOTTLCJBO-AFUMVMLFSA-N 428.301 6.317 30 40 IKEB Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3ccc(CC(C)C)s3)CC2)n1 585294515 HKNLXVNYRWKEAX-UHFFFAOYSA-N 446.624 5.435 30 40 IKEB COc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1Br 3050672 SKADHBYYVUGKCJ-WYMPLXKRSA-N 441.712 6.670 30 40 IKEB CCOC(=O)c1c(/N=C/c2cccc(I)c2)sc2c1CCCC2 3149084 BDBHGFFXCAFTNN-RGVLZGJSSA-N 439.318 5.159 30 40 IKEB O=[N+]([O-])c1cccc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 3201812 OVKJBEGYDFQFGT-BUVRLJJBSA-N 431.388 5.824 30 40 IKEB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C#N)c3ccccc3n2)cc1OC 3304960 IOKBWLWGSVOBEU-UHFFFAOYSA-N 443.890 5.696 30 40 IKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 6782337 SRCXWQQPKIWNSF-VWLOTQADSA-N 425.528 5.631 30 40 IKEB biogenic O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8821113 JCRGOQBXGUQQAO-WOJGMQOQSA-N 425.853 5.400 30 40 IKEB C#CCn1c(SCc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)c1-c1ccccc1 8857054 AFUOVZAIWWLGGW-UHFFFAOYSA-N 436.624 7.440 30 40 IKEB Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(OC(F)F)cc1)[n+]1ccccc1 9403877 ZYEVWSQCDUIQKJ-UHFFFAOYSA-O 427.496 5.243 30 40 IKEB C=CCOC(=O)c1sc(NC(=O)c2sc3cccc(Cl)c3c2Cl)nc1C 13426791 PIBJTKUWLMILKX-UHFFFAOYSA-N 427.334 5.568 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 13881079 WDLXOKWWOKRWLN-HAHDFKILSA-N 447.579 6.422 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C(C)=O)cc3)cc2)cc1 16638585 ZHBYWPJVGXBQLM-TURZUDJPSA-N 429.516 6.428 30 40 IKEB CCc1ccc(N/C=C2\C(=O)c3ccccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 20558822 JXEQXTZSODARQB-LFVJCYFKSA-N 432.545 5.044 30 40 IKEB COc1ccc(-c2csc(N/N=C3/C[C@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 31994697 YVCXIROPPVUFHA-KVILUOORSA-N 441.556 6.467 30 40 IKEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCCC3)/C2=N\c2c(C)cc(C)cc2C)cc1 33435819 MHQBTGSCKXEFFD-XWGMSIGLSA-N 443.635 6.412 30 40 IKEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 33643676 CPOPIBIRDYNDEI-MOSHPQCFSA-N 435.461 5.145 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccn1-c1ccc2ccccc2c1 33736532 PVZGWLXMOUBBSX-TWKHWXDSSA-N 440.506 5.890 30 40 IKEB CCCCCCCCCCCCS/C(=C(/c1ccccc1)[N+](=O)[O-])c1ccccc1 100770982 WJWGSVIRUJTEEB-QPLCGJKRSA-N 425.638 8.443 30 40 IKEB COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)cc2)cc1 408762611 PROHPSMRADSYSX-JCMHNJIXSA-N 444.512 5.114 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1 408886953 KJYGWGMNPHCVLU-ODLFYWEKSA-N 439.880 5.708 30 40 IKEB CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(O)c(OCC)c2)C2=C1CCCC2=O 408927912 YGTPTCGVIOVZAS-UHFFFAOYSA-N 429.944 5.268 30 40 IKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(C)cc1 409064799 FOIZRZHUAOFYFL-WPWMEQJKSA-N 430.504 6.360 30 40 IKEB C=CCOc1c(Br)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OCC 409073658 HOEIYIOKOZNDIC-YSURURNPSA-N 444.251 5.272 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 409212964 NQDKULYVPGAZDE-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2OC)S/C1=N/c1ccc(F)cc1 409242538 OHRUUMKYHCUNHW-LRXZINBSSA-N 425.529 5.058 30 40 IKEB C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccccc1 409338323 HSZBLHDETQRDBF-UHFFFAOYSA-N 444.560 5.236 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O 409338965 RDFMITYHMFBAOK-PDGQHHTCSA-N 446.391 5.728 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Sc2ccccc2)o1 654038 SMAQQHDNAMPQGO-NRFANRHFSA-N 429.497 5.172 30 40 IKEB CC[C@H]1CCc2nc(SCC(=O)NCc3ccc(C)cc3)c(C#N)c(C(F)(F)F)c2C1 663954 RSFSCTBSJSRHFF-HNNXBMFYSA-N 447.526 5.204 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2375753 KERASXBMVQIOAU-UHFFFAOYSA-N 436.943 5.937 30 40 IKEB C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 2409909 DRGDHCDGFVDNHZ-NRFANRHFSA-N 444.512 5.181 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccc(Cl)cc3)N(c3ccccc3)C2=O)Sc2ccccc21 3021755 RKJDOQDQMIXLQJ-JXAXBCJLSA-N 449.988 6.519 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1 13551372 WPFQZLCDZWOGCW-AOYPEHQESA-N 430.935 6.456 30 40 IKEB Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)CCc1ncc(-c2ccccc2)o1 14774950 JABZEWDOYBYTAT-LVWGJNHUSA-N 425.941 5.499 30 40 IKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 15979816 QCEZYIGCIVTCMK-WTDSWWLTSA-N 444.270 6.599 30 40 IKEB Cc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c2c3c(sc2n1)CCC3 23406857 GHEGYPGDGBTVON-ZDUSSCGKSA-N 440.569 5.055 30 40 IKEB CCC(=O)C1=C(c2ccc(C)c(C)c2)N(C(=O)CC)n2c(nnc2-c2ccc(C)cc2)S1 27526430 UFNXVWFAGVYEAR-UHFFFAOYSA-N 446.576 5.199 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nc2sc(C)c(C)c2c1=O 28381075 FQNGRYZSULGJMS-UHFFFAOYSA-N 441.622 5.423 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 59239491 FUGDAMBHSPPHKD-IBGZPJMESA-N 440.286 6.118 30 40 IKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OC(=O)c1sc2ccccc2c1Cl 100224426 OBIRRFLHLVOAMU-JFLMPSFJSA-N 449.959 7.232 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 253501158 UOCUEIOMIAYZNI-REUPPRSCSA-N 428.613 5.468 30 40 IKEB biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253617264 PMBSWZWCNKVWLV-VTKJELLQSA-N 442.684 7.139 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 408759630 IHLXQVFYZHTHIM-HAHDFKILSA-N 432.520 5.859 30 40 IKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc1Cl 408775206 FPOLCQZWSQGBHH-YBEGLDIGSA-N 437.746 5.393 30 40 IKEB CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C(=O)OC)cc1 408905810 FBACKOURZRKNNU-YTVGCWMKSA-N 435.332 5.404 30 40 IKEB Cc1ccc(Sc2oc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)cc2Br)cc1 408913046 KAHCWZOFFQAYLK-NHDPSOOVSA-N 431.311 6.469 30 40 IKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl 408945116 VXQCNZLOLGWAFJ-ATZHYDLXSA-N 428.963 7.234 30 40 IKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)ccc1Br 408955330 XZABWWMWGQAHEA-BHGWPJFGSA-N 445.744 6.267 30 40 IKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409079236 AIRPXWWBELPTBT-PQMHYQBVSA-N 431.102 6.195 30 40 IKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1cccc(F)c1 409109694 JKOOUOBGFOESES-UHFFFAOYSA-N 439.958 7.106 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1OC 409122479 ZMRUWYGLWSXAHS-ATVHPVEESA-N 428.326 5.320 30 40 IKEB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 409146014 RLGLLLIWBZFXRT-BCIXYHELSA-N 428.491 5.066 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409208076 ARJYQWLGYYRCTF-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1cccc(COc2cccc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2)c1 409403406 LQXGUIFTMNWKFA-UHFFFAOYSA-N 445.522 5.833 30 40 IKEB Cc1cccc(/N=C2\S/C(=C\c3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C 1015428 MPHGYVPESXJXRT-QPUMKRSLSA-N 440.366 5.781 30 40 IKEB COC(=O)c1ccc(/N=C2\S/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 2240417 WEVCKVMWAVHJNI-XHFTXJRRSA-N 438.549 5.147 30 40 IKEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([C@H](C)CC)cc1 2446222 VUBZQBOKFPKKCD-GOSISDBHSA-N 436.581 5.287 30 40 IKEB N#CC1(C#N)[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl 8873569 YLXSTDGPKWLPCS-HZPDHXFCSA-N 435.108 5.142 30 40 IKEB N#CCCN(C(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 9127443 FQIWTQNXODKOCA-UHFFFAOYSA-N 430.558 5.397 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Oc2ccccc2)c1 9271459 VEKIOHJACGZVRW-DEOSSOPVSA-N 431.532 5.646 30 40 IKEB O=C1CCCC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)c1c(nn(-c3ccccc3)c1O)N2 9348920 QYLQTRKLPHWKAH-GOSISDBHSA-N 425.410 5.161 30 40 IKEB COc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1 13062506 HGRZVSRUTIJBGD-OVVQPSECSA-N 426.472 5.548 30 40 IKEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1cccc(C(F)(F)F)c1 13576777 ZXFFUMKBNARTBI-ONUIUJJFSA-N 429.427 5.020 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)c(Cl)c1 15945264 ZHCNZOBNBHQEMC-YJOHERITSA-N 444.025 6.423 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1Cl 16216663 NSSARRRWPUYSFS-UNOMPAQXSA-N 431.966 5.315 30 40 IKEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 16400614 SAPBNQKUSMETLU-AATRIKPKSA-N 438.165 6.295 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1csc(C)c1CC 17095093 YZIANRDBTRXJDN-UHFFFAOYSA-N 426.611 5.357 30 40 IKEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33909736 NQVOCPLHSSXKQA-WMOWQXFYSA-N 444.516 5.469 30 40 IKEB COc1cccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3[nH]2)c1 49538701 PWWXUHILWSNGJC-UYRXBGFRSA-N 444.487 5.021 30 40 IKEB CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)N2CC)cc1 100259607 VSSYOJGSZNFLTL-GOESLVMASA-N 446.576 5.512 30 40 IKEB CCCCCCCCCCC(=N\O)/C(=N/O)c1cc(C)ccc1OC(=O)c1ccccc1 100928098 CHEYMHAQGXUSCW-IVZAMVAPSA-N 438.568 6.754 30 40 IKEB CC(C)(C)c1ccc(C(=O)/N=C2\c3ccccc3CN2c2cc(Cl)cc(Cl)c2)cc1 102934860 IWBZSSOVTIUCHP-WEMUOSSPSA-N 437.370 6.898 30 40 IKEB O=C1C2=C(N=C3C[C@@H](c4ccccc4)CC(O)=C3[C@@H]2c2ccc(Cl)cc2)c2ccccc21 104155750 JZRVPEZFYKMXSK-KOSHJBKYSA-N 437.926 6.876 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1O 106733559 MUVPITRABYHEDE-ZDLGFXPLSA-N 433.888 5.158 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)c1C 223553836 YTNMCCFKQMRDJV-SMNNTEATSA-N 447.648 6.696 30 40 IKEB CCCCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)CC1 248263309 NGMTWVKHRCXBTL-DUYHBEBVSA-N 448.691 9.273 30 40 IKEB Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1ccc(Cl)cc1 408738098 NPKSIXDCSFCKNV-WSDLNYQXSA-N 434.708 6.103 30 40 IKEB N#Cc1ccccc1CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 408751053 VUJMBDSISWVPRI-ROUUACIJSA-N 433.558 5.140 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1 408764667 JSUPRHXLRZDYIG-JAIQZWGSSA-N 425.916 5.778 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)c1 408821360 GOWTVVNGCPBRPR-OYKKKHCWSA-N 441.531 6.029 30 40 IKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Br)cc1 408851269 XBWFUCPNDIEYCQ-UHFFFAOYSA-N 447.328 6.108 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408862380 YGXVCGZXJWSAEH-BKUYFWCQSA-N 449.463 5.205 30 40 IKEB C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cccc1OC 408915778 ZZJNKPBXWIAKEH-JUMVDPBBSA-N 436.577 5.828 30 40 IKEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O 409129718 LVTIPKRHGLDOQR-WQRHYEAKSA-N 445.382 5.696 30 40 IKEB COc1ccc(-c2nc3cc(/N=C/c4ccc(OC)c(Br)c4)ccc3o2)cc1 711646 LUXANNRSYYJYCU-ZMOGYAJESA-N 437.293 6.025 30 40 IKEB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 1414053 HALUOMUJKGFJCG-QHCPKHFHSA-N 432.955 6.056 30 40 IKEB C=CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC=C 2080972 XJNSOQAZJDGWSF-NVMNQCDNSA-N 431.822 5.092 30 40 IKEB O=C(Nc1ccc(SC(F)F)cc1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 3171741 BFRMQKHJWLXAAO-CQSZACIVSA-N 445.331 6.126 30 40 IKEB C=CCn1c(S[C@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 3220467 NIVQKFDCMPSBJF-IBGZPJMESA-N 429.570 5.538 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1C1CCCCC1 3279390 WKVPKIWNJJJROC-UHFFFAOYSA-N 448.592 6.035 30 40 IKEB CCCCC(=O)NC(Nc1sc2c(c1C#N)CCCC2)(C(F)(F)F)C(F)(F)F 3671307 XCGMNSNZNLRUHP-UHFFFAOYSA-N 427.414 5.038 30 40 IKEB CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC#N 3768880 LAYDEILTQJNQLO-VCHYOVAHSA-N 448.928 5.186 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 6407300 NZSJVRGPRFEVNE-DEOSSOPVSA-N 430.548 5.246 30 40 IKEB FC(F)(F)c1cnc(/C(=N/Nc2ccccc2)c2ccc(Cl)cc2Cl)c(Cl)c1 8762800 RWSNZPOZOSGWPK-OGLMXYFKSA-N 444.671 6.925 30 40 IKEB N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1SCc1ccc(Cl)cc1Cl 8873865 WXKRBNGQPVOKAQ-UHFFFAOYSA-N 439.289 7.238 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCCC)cc2)cc1 9046639 XDMYLYYKULHGBB-XCZPVHLTSA-N 440.543 6.283 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9373808 OFOKFWYKNUHIHD-FQEVSTJZSA-N 442.273 5.915 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccco4)c3C)C2=O)c2cc(OC)ccc21 9421892 JERPKLSNTQTINY-FSJBWODESA-N 443.455 5.407 30 40 IKEB C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nc2ccccc21 9670054 RKKYVWGUUVCGHT-UHFFFAOYSA-N 427.327 5.327 30 40 IKEB COCc1cc(C)nc(N/N=C/c2ccccc2OCc2cccc3ccccc23)c1C#N 13174016 ZQJUMGUSGGAEAG-MUFRIFMGSA-N 436.515 5.586 30 40 IKEB Cc1c(OCc2c(F)cccc2Cl)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182592 SKHUFRCZPOGCOW-MSXFZWOLSA-N 447.893 6.474 30 40 IKEB N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)s2)cc1 40140470 QZLAYNKWUAXCBM-KGLIPLIRSA-N 426.489 5.009 30 40 IKEB N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)s2)cc1 40140473 QZLAYNKWUAXCBM-UONOGXRCSA-N 426.489 5.009 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3nc4ccccc4n3C)cc2)cc1 98045022 JUOJPSUBOICTNF-UHFFFAOYSA-N 439.603 7.396 30 40 IKEB CC[C@H](C)OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 169795806 HPQWRPSFOKPWDR-YFKPBYRVSA-N 432.201 5.380 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OCC)c1OC 214266271 MOCMQQGWZQTKDH-DEDYPNTBSA-N 427.497 5.198 30 40 IKEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224939525 XHXRNRMKJWZKBM-UHFFFAOYSA-N 444.689 6.047 30 40 IKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)c2c1 408782005 UZQDUKWTJAXPHC-IWIPYMOSSA-N 446.572 6.146 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc(Cl)c1O 408914036 SDVHYXKEBZLRIV-NKMCWBCSSA-N 444.984 6.155 30 40 IKEB O=C1C(=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)c2ccccc21 408915796 YYESXHGMYIXLIY-UHFFFAOYSA-N 435.435 5.790 30 40 IKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409086435 ZPMQTQXDALDHOL-GRJIBALVSA-N 446.572 6.788 30 40 IKEB C=CCOc1c(I)cc(CNc2ccc(CC)cc2)cc1OCC 409120586 QYNWTIZEAXMXSX-UHFFFAOYSA-N 437.321 5.429 30 40 IKEB C=CCOc1c(I)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409215826 BMKNENAUZVDRJO-SRZZPIQSSA-N 441.696 5.577 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Cl)c1O 409249603 UVBLUEGDZDKEET-WNEPPRNQSA-N 432.929 5.077 30 40 IKEB COc1cc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)ccc1OCc1ccccc1 706359 JGKDQJWECCFLSK-UHFFFAOYSA-N 445.482 5.068 30 40 IKEB Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c1 4065378 XBHTYHCLKUPMKQ-QDJRPKQISA-N 435.618 6.302 30 40 IKEB Cc1cnc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3cccs3)c2C#N)s1 9111109 JNGWMCCSESVCFP-UHFFFAOYSA-N 448.598 5.845 30 40 IKEB O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12958025 JSRASXQLAWASLT-GBPUDXIESA-N 432.820 5.419 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(O)c1 13477375 NBRUHMFTBIDXIS-BEIQUOEZSA-N 441.578 5.175 30 40 IKEB COc1ccc([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c(OC)c1 13567899 XXFZMRZNFAMHGK-SFHVURJKSA-N 445.437 5.250 30 40 IKEB O=C(NCc1ccccc1Cl)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 13774887 NOTXZCDNUOGNER-UHFFFAOYSA-N 444.734 5.178 30 40 IKEB COc1ccccc1-n1c(=S)ss/c1=N\C(=N/c1ccccc1)c1ccccc1 18069414 WZPNTZCQCFDFLM-XFUYORNGSA-N 435.599 6.018 30 40 IKEB CC1N(/N=C/c2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1/N=C\c1ccccc1 31960871 ZFJQYECGRCXXIO-UWMYTQNWSA-N 444.582 6.501 30 40 IKEB Cc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 33726106 PWGUPOWBRFQKPY-RQBVCSNNSA-N 439.367 7.110 30 40 IKEB Cc1c(C#N)c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)n(C2CCCCC2)c1C 57281330 JUASFONMHUFKQD-GOSISDBHSA-N 449.624 5.723 30 40 IKEB CCCCCCCCCCNC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 97951516 ICZPNBKKDDBQJZ-OAQYLSRUSA-N 449.466 7.193 30 40 IKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Br)cc3)cc2)cc1 100362466 VNBLEJQPVMLCPQ-OYKKKHCWSA-N 439.309 5.226 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(Br)cc2)cc1 100389851 XWCSFRGVLNKEAW-HYARGMPZSA-N 429.339 5.309 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102506629 ZAYNSVPITQDRCW-YDJIHCHBSA-N 448.450 5.201 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 102542079 PSLUQRXRSBXHTG-MRJHHRETSA-N 444.487 5.370 30 40 IKEB N#CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 408906064 GZNCWUFCRFXBTG-ACWMPWAISA-N 425.513 5.393 30 40 IKEB C=CCN(CC=C)C(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408975142 IHDFXXIAQAURHA-UHFFFAOYSA-N 436.544 5.250 30 40 IKEB Cc1cccc(COc2ccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)c1 409027112 ZSSIHPYPTJZDHN-NJZRLIGZSA-N 443.550 7.177 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2F)S/C1=N/c1ccc(F)cc1 409242232 VXDAXISRTWPCGF-ZXOKNOEDSA-N 427.520 5.579 30 40 IKEB CCOc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1Cl 409274437 CZGBRBGOHYHUEW-UHFFFAOYSA-N 448.748 5.217 30 40 IKEB C=C[C@H](CCCCCCC)[C@@H]1C2=C(C(=O)[C@H]3[C@H](C)[C@@H](C=C4CCC[C@@H](C)[C@H]43)O2)C(=O)N1O 1772591265 PMCQKTPMBJJHIX-TYKQZOCQSA-N 441.612 5.600 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1OC 781126 AMBPRWLLGRGDJA-PIIWDFAUSA-N 440.543 5.992 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccccc1OC 2200769 YNNYLZUSEGXQDF-QGZVFWFLSA-N 436.581 5.384 30 40 IKEB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2C#N)cc1 8412077 BMDCETVCGHPDNF-UHFFFAOYSA-N 434.564 6.879 30 40 IKEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 9336854 PFHTWKMAXNYENN-UHFFFAOYSA-N 448.979 5.537 30 40 IKEB N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 9468680 ZBCQLEYVTZIAQQ-UHFFFAOYSA-N 448.548 5.401 30 40 IKEB C(=N/Nc1nc2ccccc2s1)\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 12550441 VVOVMYGIXOIJLO-VUTHCHCSSA-N 444.563 7.353 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(OC)c(OC)c3)c12 12695405 WUVIZMHXRPVSSK-ZHACJKMWSA-N 435.911 5.350 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 12894878 UOCUEIOMIAYZNI-OYQMSHHXSA-N 428.613 5.468 30 40 IKEB biogenic CCCCN1C(=O)/C(=C2\S/C(=N/c3ccc(C)c(Cl)c3)N=C2O)c2ccccc21 15015695 FGSBTRALSWEUPG-HNENSFHCSA-N 425.941 5.897 30 40 IKEB Cc1cc(Br)c(O)c(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)c1 15134300 GUMNIPNVVIJYCB-KSEXSDGBSA-N 439.334 6.196 30 40 IKEB CC[C@H](C)OP(=O)(O[C@H](C)CC)[C@H](c1cccc(Br)c1)C(C#N)C#N 16102146 NKOFMRPMDSNOGU-OEFGXJRVSA-N 427.279 5.977 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1O 16194960 DFONAAYJLBXDIR-FOKLQQMPSA-N 439.880 5.990 30 40 IKEB CC(C)(C)c1ccc(NC(=O)c2sc3nc(N)c(C#N)c(-c4cccs4)c3c2N)cc1 20358168 KVHCRMQVQIEOPK-UHFFFAOYSA-N 447.589 5.611 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1cccc(OC)c1OC)C2=O 20651019 FTAJWFMNFUGUBY-KQWNVCNZSA-N 439.552 5.428 30 40 IKEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 96346569 MVJQJXABALXQCO-RTBURBONSA-N 426.545 5.811 30 40 IKEB COc1ccc(C/N=C(\C)c2c(C(F)(F)F)nn(-c3nc4ccccc4s3)c2O)cc1 97967090 LRTNLTFTYFUQPS-BRJLIKDPSA-N 446.454 5.224 30 40 IKEB CCOCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2C)S/C1=N/c1ccccc1 101431228 JTKJPGWNQOYENL-WZDJMGEGSA-N 449.620 5.626 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1 198080743 VBNMTJILIXNXQZ-CJHIPLPSSA-N 428.576 7.269 30 40 IKEB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 221521253 UKAIYBGRLWQHDQ-GYWOLGCXSA-N 440.712 7.348 30 40 IKEB biogenic,in-vitro COc1ccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)c([N+](=O)[O-])c1 408721323 OUGWGUUESQMDHV-ZVHZXABRSA-N 428.404 5.522 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccccc1F 408808267 DTJVTCOWROSIFE-MOSHPQCFSA-N 427.497 5.198 30 40 IKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 408844922 JCUALCWFQCFLGI-ZRLIEKQZSA-N 445.415 7.176 30 40 IKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 408875800 HSSWTNQIVGYAOE-LBNOWXFCSA-N 436.577 5.887 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O 408906738 DLNODSRRYBGXHY-UINIZAEWSA-N 430.573 6.641 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)cc2)S/C1=N\c1ccccc1 408911445 ZJZSAMFDFUSIBC-AJGXWLHTSA-N 442.584 6.588 30 40 IKEB CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1O[C@@H](C)CC 408960671 HSPACYTWEAJCOE-NPRIEWAGSA-N 444.984 6.116 30 40 IKEB Fc1ccc(-c2ccc(/C=N/Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c(F)c1 408974712 CFQUIXNEAFUKMA-LYOATTTOSA-N 438.249 6.246 30 40 IKEB O=C(CSc1ccc(/C=C2\Sc3ccccc3C2=O)cc1[N+](=O)[O-])Nc1ccccc1 408991739 PCSOAYBZNQZOTH-BKUYFWCQSA-N 448.525 5.655 30 40 IKEB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C#N)c1-c1ccccc1 409111344 IIBYZVCONIXYIH-UHFFFAOYSA-N 445.327 6.023 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 409183330 BHUINOIVNXVXGS-OTZYPNAKSA-N 448.910 5.015 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]12 2038218763 MHAVMNJPXLZEIG-BIRRXDFYSA-N 438.696 7.412 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O 864789 RTHBMMJZORYXOE-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB O=C(C[n+]1cc(Br)cc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 1950805 BXFCFKYNCQEGKN-UHFFFAOYSA-O 446.324 5.025 30 40 IKEB COc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 2127519 RTEUYVDLVWAUKU-IOFNULOHSA-N 426.468 5.598 30 40 IKEB biogenic COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 2402161 XOJDZIHFUVXSQM-WDJNEDGGSA-N 432.859 5.740 30 40 IKEB C=CCNc1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(F)cc2)n1 8733605 WLCRFCDVZCNTAE-UHFFFAOYSA-N 431.989 6.452 30 40 IKEB Cc1ccccc1C(=O)[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@H]2C=Cc3cc(Cl)ccc3N12 8809678 KGUGLYDUGZOWPB-CYXNTTPDSA-N 449.941 5.933 30 40 IKEB Clc1cccc(Cl)c1CN/N=C/c1ccccc1OCc1cccc2ccccc12 9195005 LKWSZQAJSKVDHG-RWPZCVJISA-N 435.354 6.849 30 40 IKEB Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)s2)c1 9616766 XPLGCYLJBQIEAO-UHFFFAOYSA-N 441.607 5.133 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OCC)c3OCCC)c12 12676000 FVQFRCHFCGKOII-FOCLMDBBSA-N 443.547 5.867 30 40 IKEB CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(-c4ccccc4)cc3)cc2)CC1 14361398 XYCQLOHKGJQYFM-CXUHLZMHSA-N 445.584 5.670 30 40 IKEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SCc2ccccc2)cc1 32828839 JFJZDFCBSSSARC-QFIPXVFZSA-N 445.569 5.269 30 40 IKEB CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c(OCC)c1 59484204 UUFYSFDSPMGQDJ-UHFFFAOYSA-N 437.580 5.457 30 40 IKEB N#C[C@H](C(=O)c1ccc(Oc2ccccc2Br)nc1)c1nc2ccccc2[nH]1 84583264 NYBCDIGZGKTETQ-CQSZACIVSA-N 433.265 5.003 30 40 IKEB Cc1cc(/N=C\c2cccn2-c2ccc(N(C)C)cc2)ccc1I 101743349 ADXKROZPYUNPKI-HMAPJEAMSA-N 429.305 5.207 30 40 IKEB O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102875867 BTYLXIZFJHYXTB-NHFXJNLRSA-N 448.450 5.201 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(F)cc4)[C@@H]3c3ccco3)sc2c1 102876310 FULXJBHGTYQXPN-NHFXJNLRSA-N 448.475 5.217 30 40 IKEB N#CC1(C#N)[C@H](c2ccsc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]21 108519744 ISXHHSLHOQHZBA-DNVJHFABSA-N 441.943 5.686 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N/CCCN5CCCC5)[C@@]4(C)CC[C@@H]32)C1 118935619 GHSYWLKHFMASTM-XKARGQNCSA-N 440.672 5.808 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3CC[C@]23O[C@H]13 257348671 HXKDHGZOPCTTAY-DYSICZAMSA-N 444.700 7.171 30 40 IKEB CCCCCCCc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1C 408560398 HODZJUJLFBCNIO-UHFFFAOYSA-N 436.625 5.326 30 40 IKEB Oc1nc(=N/N=C/c2c3ccccc3cc3ccccc23)n(-c2ccccc2)c2ccccc12 408733455 XTPSPXPEFWUXIK-NDZAJKAJSA-N 440.506 5.972 30 40 IKEB CCc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408740242 JOFOJWAVNJJETE-AWSUPERCSA-N 426.563 8.124 30 40 IKEB COc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(C)ccc4OC)NC3=O)c2C)cc1 408872156 ADAOKAMHFASOKY-UCQKPKSFSA-N 447.560 5.311 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)ccc1O 408905480 AQRBQEQISXCQCC-OBUXZSPNSA-N 430.529 5.248 30 40 IKEB N#Cc1ccccc1COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br 408914224 ONTKUQHWSIUWTJ-UHFFFAOYSA-N 444.284 5.362 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1C(C)C 409199795 DMJMVANFAWBFHS-HFYOLELGSA-N 433.917 5.597 30 40 IKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)o1 409366361 QSNDEPLSDQCVMC-SRZZPIQSSA-N 448.887 5.391 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1 2081682 KBLXMUMJJKKJAP-NMRWETQTSA-N 430.548 6.759 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 2186445 ZAKNNVYAFPNNGJ-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB N#Cc1c(/N=C/c2cccc(Br)c2)oc(-c2ccccc2)c1-c1ccccc1 8935175 FULZOGCXGAKRCN-JVWAILMASA-N 427.301 6.998 30 40 IKEB Cc1c(Cl)cccc1-n1c(SCCOc2ccc(C#N)cc2)nnc1-c1ccncc1 9378677 XSRIISHSJKQTBU-UHFFFAOYSA-N 447.951 5.334 30 40 IKEB COc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2ccccc2F)cc1 9380225 MGLATFUNRHULEZ-OTQXGJDPSA-N 429.447 5.017 30 40 IKEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 12562717 CMSAICYNLZGUES-XODNFHPESA-N 432.877 6.226 30 40 IKEB C=CC[C@@H](c1cccc(Cl)c1)N(CCCN1CCOCC1)C(=O)Nc1ccccc1 19851493 HDXYEAZGUNXZCQ-QHCPKHFHSA-N 427.976 5.214 30 40 IKEB CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 19890243 HVTAIGRGHPXRPF-QFIPXVFZSA-N 440.465 5.347 30 40 IKEB COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N2CCC(c3ccccc3)CC2)c(OC)c1 100332809 JHIWFJXVZOXFCS-OVVQPSECSA-N 445.519 5.747 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl 100418550 OJVLJJZJOORUKG-LJQANCHMSA-N 434.879 5.186 30 40 IKEB CCN(CC)c1ccc(/C=N\CCCCCC/N=C/c2ccc(N(CC)CC)cc2)cc1 104063594 MHRIRXOEWCHUGX-UEUMJKGWSA-N 434.672 6.477 30 40 IKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccc(C(F)(F)F)cn1 215710355 LCVFUUXFXMTWSF-UHFFFAOYSA-N 448.857 5.418 30 40 IKEB O=C(O)c1ccc(Cn2cc(/C=N/c3ccc(Nc4ccccc4)cc3)c3ccccc32)o1 408543712 SIBDFQIOJNYZON-LQKURTRISA-N 435.483 6.475 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N\c3cccc(Cl)c3Cl)c3ccccc32)c1 408544780 XIFQASFIGQJAFY-WKIKZPBSSA-N 437.326 6.534 30 40 IKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(Cl)c(Cl)c1 408748893 CPYVUZKQMRXKPR-VROXFSQNSA-N 447.278 5.330 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 408759857 MYMSYNHBPXROBH-ZHZULCJRSA-N 434.904 5.451 30 40 IKEB C=CCn1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 408887643 SCJSFNAZQNELSU-UHFFFAOYSA-N 442.603 6.143 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1C 408915317 ZMLOEHABRHWLOD-RNWNAKOZSA-N 428.557 6.369 30 40 IKEB CCOC(=O)c1cc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)ccc1Cl 409037883 OBDRDZYWADDSKB-FSJBWODESA-N 425.897 5.832 30 40 IKEB Cc1ccc2c(c1)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n2Cc1ccccc1 409039088 QKLVDMIUYKAQDJ-KYMQWJLESA-N 445.382 6.020 30 40 IKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc2ccccc12 409202545 RFJVUSWPWULDIU-OCSSWDANSA-N 443.974 7.838 30 40 IKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c1C 409209489 FVYNFKAPHDHKHA-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409210294 JVUAKXMGMOQSRE-LGJNPRDNSA-N 434.750 7.375 30 40 IKEB Cc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c(C)n1NC(=O)c1ccccc1 409213416 USMHYENGZVWTSB-OGLMXYFKSA-N 443.934 6.685 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409214405 UWLMPVTXMVRQKN-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB C=CCOc1cccc(C=Nn2c([C@H](C)CC)nc3ccc(Br)cc3c2=O)c1 409333972 KPVNWEUJOVHCLF-OAHLLOKOSA-N 440.341 5.120 30 40 IKEB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 1414054 HALUOMUJKGFJCG-HSZRJFAPSA-N 432.955 6.056 30 40 IKEB CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2cccc(F)c2)C2=C1CCCC2=O 1461726 ANDLIIJVOZICIW-UHFFFAOYSA-N 431.507 5.448 30 40 IKEB CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1 2098668 AWNRBKFZOYCAGD-CFRMEGHHSA-N 430.456 5.102 30 40 IKEB biogenic O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)c1cccs1 2428307 BDDOOEWSJSHCBG-YVLHZVERSA-N 427.275 5.346 30 40 IKEB c1ccc(/N=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)\C2=N\c2ccccc2)cc1 8399107 TXPDBMSODBCQAQ-KMQPISCYSA-N 444.648 7.517 30 40 IKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8820935 WBHDYQSKFZMQCR-VCHYOVAHSA-N 433.291 6.284 30 40 IKEB CCOc1cc(/C=N/c2ccc(Oc3cccc(OC)c3)nc2)cc(Br)c1O 9265344 JDURTNPJEIHQEB-FSJBWODESA-N 443.297 5.500 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc21 9291136 ZCHQGVZQXKGEJO-HSZRJFAPSA-N 430.441 5.190 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(OCCC)cc4)Oc4ccccc4[C@H]3C2)cc1 12194206 XDMYLYYKULHGBB-IAPPQJPRSA-N 440.543 6.283 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1OC 13568522 SZVJJKBBXRRTCE-MRDQGFSESA-N 430.504 5.585 30 40 IKEB Brc1ccc(/N=C/c2ccc(/C=N/c3ccc(Br)cn3)cc2)nc1 15134537 HCBCOXVARXYYQX-VGENTYGXSA-N 444.130 5.503 30 40 IKEB O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 15979219 UPEHYTOWTMODBR-XLUWADSXSA-N 432.234 6.729 30 40 IKEB CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccn4)nn32)cc1 18198799 XWZTXNDNNNHSMY-JOCHJYFZSA-N 431.565 5.111 30 40 IKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O 20647124 CWPWWNGWKLOONA-ZMOGYAJESA-N 434.536 5.131 30 40 IKEB CCOC(=O)c1sc(=S)n(-c2ccc(C)cc2)c1/N=C(\O)c1ccc(Cl)cc1 27526001 GLCOJOOJHUUHEZ-UHFFFAOYSA-N 432.954 6.043 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1c(NC(=O)c3ccccc3)cnn1[C@H]2c1ccc(Cl)cc1 27562067 LEPOKOHCWPBDRU-QFIPXVFZSA-N 446.938 5.447 30 40 IKEB Cc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 35242591 VEMWTKDRONDLNC-JDTRZHCYSA-N 435.618 6.266 30 40 IKEB C(=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1)\c1ccccc1OCc1ccccc1 59461381 GQZQAMIOMRPPDC-DWYQAMBJSA-N 428.513 6.456 30 40 IKEB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCCS/C1=N\c1ccccc1 102501515 QWGATHOOTNWLKQ-IEIOMXKISA-N 447.442 5.764 30 40 IKEB S=C1/C(=N\c2ccccc2)N(c2ccccc2)/C(=N\c2ccccn2)N1c1ccccc1 104311653 NTFQVQVCZMCMMY-WCKXTXEHSA-N 433.540 6.154 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)cc1 118915047 HNTMKSKJRZRWKS-VSLDIVGSSA-N 444.637 5.681 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1OC 408872526 FUEAUQQPHVPXTP-BNUIPMERSA-N 440.540 5.780 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(Cl)cc4C)NC3=O)c2C)cc1 408872950 PUPWSZDIVAFGKM-XKZIYDEJSA-N 435.980 6.256 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccc(OCc2ccc(F)cc2)c1 409075097 UHXWYWJPDFZEOP-RPPGKUMJSA-N 433.361 5.778 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(OCc2ccccc2Cl)cc1 409096262 DATYQXJGVFAVET-RPPGKUMJSA-N 449.816 6.292 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1Cl 409201221 KQNUPKXHJJZGIH-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB COc1ccccc1NC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1C 838409 FQLGDXDFPWGNGF-UHFFFAOYSA-N 425.897 5.095 30 40 IKEB N#C[C@]1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC2c3ccccc3C1c1ccccc12 850342 MZHSLOSHZGMASS-BDCLJRGUSA-N 441.534 6.560 30 40 IKEB Cc1ccc(C(=O)NC(Nc2ccccc2C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 2323177 LEKMGQMRIPNBKB-UHFFFAOYSA-N 444.297 5.677 30 40 IKEB Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(C#N)c1-c1ccc(Cl)cc1Cl 2769885 LABFJWDUONOHER-STQMWFEESA-N 435.332 5.508 30 40 IKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\c1ccc(C)cc1 3768575 CAUZIJFGNYRKKO-ZMRQUTOFSA-N 447.482 5.160 30 40 IKEB Cc1ccsc1-c1c(C#N)c(SCC(=O)Nc2nccs2)nc2c1CCCC2 9254138 GCHJWBWRAHFLQJ-UHFFFAOYSA-N 426.592 5.056 30 40 IKEB COC(=O)c1ccc(/C=C2/CC(C(C)(C)C)C/C(=C\c3ccc(C(=O)OC)cc3)C2=O)cc1 9310658 NADWIFYTOHURMR-OQRYGUKSSA-N 446.543 5.752 30 40 IKEB CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1C(C)C 13995508 NIBGSNZWNYQPNC-AWEZNQCLSA-N 445.658 5.236 30 40 IKEB Cc1cc(SCCOc2cccc(Br)c2)n2c(nc3ccccc32)c1C#N 25390086 YXXDXLRSZQBQBL-UHFFFAOYSA-N 438.350 5.601 30 40 IKEB COc1cc(/N=C(\O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc(OC)c1 28048953 XTYDORXVCFOUGX-UHFFFAOYSA-N 437.496 5.212 30 40 IKEB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(Br)s1 36245334 HZQUTHQUCZTWHX-YRNVUSSQSA-N 433.274 5.421 30 40 IKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3cc(C=O)c4ccccc43)c2C#N)C1 408580557 CJFBHXKNOBKHBA-KRWDZBQOSA-N 433.577 5.567 30 40 IKEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408691826 SJNJNZVYKLIQPP-KPKJPENVSA-N 427.327 6.786 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1Cl 408790578 SLSAAUXCSSTZII-BIFPGVLTSA-N 440.996 6.675 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)S2)cc1 408811261 AQKDKKRILJVPFC-UYRXBGFRSA-N 438.350 5.440 30 40 IKEB Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccccc3OCC#N)sc3c2CCCC3)c1 408812375 MUTHLDKNNWZUKS-LQKURTRISA-N 443.572 6.149 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCCC3)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 408959733 DWLUFLLFVQKRGY-GNAGIPHVSA-N 439.584 6.486 30 40 IKEB CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cccc3ccccc23)C1=O 409005584 GALFIMZTZZOHCD-QNGOZBTKSA-N 443.524 5.010 30 40 IKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OC 409087239 XUORZHZULGJXQA-PBEVGHANSA-N 431.001 6.582 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O 409103791 YXRQRRZWHSTNDF-WOJGMQOQSA-N 448.313 5.390 30 40 IKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409212934 RUWTYWMMNLCIPK-MZJWZYIUSA-N 441.358 6.632 30 40 IKEB CCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330258 CDFQNYMQXQROOO-PFONDFGASA-N 428.423 8.712 30 40 IKEB CCCCCCCNC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 2385128 FEMCXNABPLZRQT-UHFFFAOYSA-N 443.551 5.059 30 40 IKEB CCCCCCCCCCCCCCCCCCn1c(CCCO)nc2ccccc21 8440026 WYONYWPDGMNRNC-UHFFFAOYSA-N 428.705 8.223 30 40 IKEB CCOc1cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc(Br)c1O 9261627 RVHQNEPKYOKCAR-ZVHZXABRSA-N 442.309 6.105 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(Cl)cc1 9307519 WCRPHRAPCVDZSM-UHFFFAOYSA-N 433.364 5.477 30 40 IKEB N#Cc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(F)cc2)cc1 12600042 ZNOUGXUAZKNTMO-UHFFFAOYSA-N 447.922 6.178 30 40 IKEB C=C1SC(=Nc2ccc(Cl)cc2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 18165156 FGISEVKWJRNNCV-UHFFFAOYSA-N 440.787 6.289 30 40 IKEB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1Cl 408575555 MJDKFABOYDLFIL-UHFFFAOYSA-N 431.875 5.129 30 40 IKEB Cc1c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(F)cc1 408587066 DURUOSOYHOWTHP-DHRITJCHSA-N 447.426 5.400 30 40 IKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408596555 ZYSOJCRJSXETGQ-XODNFHPESA-N 434.326 6.419 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(C(=O)OC(C)C)cc3)c2C)nc2ccccc21 408692046 CDYOZGAYLLTYSD-JVWAILMASA-N 443.551 5.475 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc(Br)c3O)S2)cc1 408759846 MTCOMCNYFAKUOV-NVNXTCNLSA-N 437.746 5.262 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c2ccccc12 408873335 TYGOOPUHVKXNKI-JLPGSUDCSA-N 446.572 6.227 30 40 IKEB C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408934358 AHINBUXXTHOLGT-UUQTWXEZSA-N 438.958 6.929 30 40 IKEB COc1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)ccc1OCc1ccc(C(=O)O)cc1 408967217 RAFQFPSTKRGFEE-ROTLSHHCSA-N 439.851 5.075 30 40 IKEB Cc1ccccc1/C=N/c1oc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1C#N 408976736 RVQZONPMZDQVOO-QNKGDIEWSA-N 438.530 8.211 30 40 IKEB Cc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(C)c1 409201900 ONHDHEZLQDWKNQ-LQKURTRISA-N 444.372 7.549 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1C(C)C 409208894 DAOUNKVWNCQWIK-PIINERKHSA-N 444.600 6.508 30 40 IKEB CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 584577526 LBERVHLCXUMDOT-LANGJZDMSA-N 442.684 7.571 30 40 IKEB O=S(=O)(c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)N1CCc2ccccc21 672142 WKILLFFPZWWTBN-ZMOGYAJESA-N 447.343 5.201 30 40 IKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 3060159 GBNQRJDCGFFRSD-FOKLQQMPSA-N 427.685 6.367 30 40 IKEB CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 8384348 WSCAKRWHDMLFCI-LJQANCHMSA-N 438.505 5.006 30 40 IKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1 9082830 CYZDTEZSZIBLNC-MHZLTWQESA-N 446.591 6.419 30 40 IKEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)c1 9530491 CJICIXXDVDZADR-VROXFSQNSA-N 448.902 6.019 30 40 IKEB O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1cc(-c2ccccc2)nc2ccccc12 13304288 OITOCPUTIHNPFX-BLCKFSMSSA-N 440.506 5.786 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 14081661 RAJQKNJIQWKQAB-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2cc(Cl)cc(Cl)c2)c1=O 28536985 RNEAYZQXVQTFLQ-UHFFFAOYSA-N 437.327 5.306 30 40 IKEB N#C[C@H](c1nc2ccccc2nc1SC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 32828889 ZJWAXMIGRLHSRL-LJQANCHMSA-N 443.981 5.356 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)cc1 32984295 PRYQEPHRLLUOKY-UHFFFAOYSA-N 447.556 5.858 30 40 IKEB N/C(=N/OC(=O)c1ccccc1Cl)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 34871126 ZVCNNXWGJIHXKG-UHFFFAOYSA-N 435.789 5.023 30 40 IKEB Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C/c3csc(-c4ccsc4)n3)c2)cc1 84160456 OEWYIGBCHMUOHD-QPJJXVBHSA-N 440.571 5.115 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@H](OCOC)[C@@H](COCOC)OC(C)=O 95612020 JOSCSIUPYUMNLZ-HEFFAWAOSA-N 430.626 5.785 30 40 IKEB CCCCCCC[C@]1(C)NC(=O)N(Cc2csc(-c3ccc(OCC)cc3)n2)C1=O 96021512 LVCBSQAAHWFUDD-QHCPKHFHSA-N 429.586 5.380 30 40 IKEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Br)cc1 101062654 AQIAOSBTZOGYBE-YDJIHCHBSA-N 434.289 5.075 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 102706633 DHLXSACORIPVNB-HOGKFDNTSA-N 430.504 5.215 30 40 IKEB CCCCCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 102819570 HUICPCAYOMVFRU-UHFFFAOYSA-N 428.492 5.004 30 40 IKEB Cc1ccc([C@@H]2[C@H](Cc3ccccc3)N3C=Cc4ccccc4[C@H]3[C@@]2(C#N)C(N)=O)c(C)c1 247860726 FVNDPQVCVJFAHY-UMNYJUJISA-N 433.555 5.035 30 40 IKEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(/N=N\c3ccccc3)cc2)C1=O 408531852 HJFDYKNWZJERKH-QWZNLYDNSA-N 425.448 5.012 30 40 IKEB Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408587908 AMZXEVHJYSYLJG-AFUMVMLFSA-N 444.447 5.365 30 40 IKEB Cc1ccc(NC(=O)Cn2cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 408589185 DEQITQQTINLQRF-VULFUBBASA-N 442.475 5.047 30 40 IKEB COc1cc(/C=N/c2ccc(F)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 408734619 ZVAZWJSRDKLFKN-LGJNPRDNSA-N 439.895 6.672 30 40 IKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(C)c1OCc1ccc(Cl)cc1Cl 408859810 ZHTRPKFODQJXKI-MRUKODCESA-N 445.306 5.938 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 408911335 MZNPKBGBEONIGR-ZTIGIGMQSA-N 440.612 7.349 30 40 IKEB Cc1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl 409016794 VTFGPRBGMCHBJB-UXHLAJHPSA-N 429.007 7.658 30 40 IKEB C#CCOc1c(Cl)cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1OC 409294710 BMKFJBOADKVTKB-UHFFFAOYSA-N 449.938 5.000 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccn2CC)cc1C(C)C 409307036 QTFMTRLFUHPWRM-UHFFFAOYSA-N 442.563 5.598 30 40 IKEB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1C 6280307 NSFOVPNBXDJJGH-UHFFFAOYSA-N 434.564 6.879 30 40 IKEB Clc1cccc(COc2ccc(Cl)cc2/C=N/Nc2nc3ccccc3s2)c1 14408406 QDKIBTLKTFCUNR-WYMPLXKRSA-N 428.344 6.628 30 40 IKEB Clc1ccc(/C=N\n2cnnc2N/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 16384868 WQKKRKXVHIRELL-LOBYUAABSA-N 428.110 5.220 30 40 IKEB C=CCn1c(CNc2c(C)cccc2C)nn(CC(=O)N(c2ccccc2)C(C)C)c1=S 16768733 ODICWSGXKPRRNX-UHFFFAOYSA-N 449.624 5.271 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(OC)c(OC)c1)C2=O 20647375 WHEQHRIFFBTEKK-JLPGSUDCSA-N 439.552 5.428 30 40 IKEB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O 31262090 DKHGMERMDICWDU-IFQAVNAMSA-N 444.659 8.918 30 40 IKEB aggregator,investigational O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1 83312017 SFABHDSECDMFNS-XKZIYDEJSA-N 426.270 5.382 30 40 IKEB CCCCCCCC/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 97983915 IDWFOMRWRJQNSK-ARYYAAAWSA-N 437.631 7.822 30 40 IKEB O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 102443895 MZMAPWJHFMTTRP-UTCJRWHESA-N 429.238 5.515 30 40 IKEB Cc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 102873919 DDQXZYQKEWLMJM-MRJHHRETSA-N 444.487 5.370 30 40 IKEB CN1/C(=C/C=N/c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C(C)(C)c2ccccc21 103455242 BQHRFMDHWZGRAH-BQVBMURASA-N 442.403 6.013 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C2\CC(C)(C)CC3=C2[C@@]2(O)CC(C)(C)C[C@](C)(C3)C2)cc1 103750312 QAQUQGOMHJOOAE-ZVYQMKSMSA-N 444.641 5.097 30 40 IKEB COc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)ccc1OCc1ccccc1 253616977 KPZGAVGMRRUEKF-UHFFFAOYSA-N 430.533 5.012 30 40 IKEB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]21C 257348920 KAIVGEVOBNIWLR-ZVZVZKAWSA-N 428.657 5.705 30 40 IKEB CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 408720089 XKSIZOXASLUTMG-SANMLTNESA-N 441.531 6.124 30 40 IKEB Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cn(C)c4ccccc34)sc3c2CCCC3)c1 408814316 SNLLDVJDXISJNS-RWPZCVJISA-N 441.600 6.738 30 40 IKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408859368 STYRAWDOTIZYCS-QKPARVBZSA-N 434.561 5.656 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1OCC 408914216 TZIWYTACGAWPTQ-HUOZHCEOSA-N 438.593 6.052 30 40 IKEB Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c1 408983302 AOYVCMIMENBIPO-STZFKDTASA-N 436.621 6.496 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1 409202826 STALEJMDYMABSZ-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409208396 BJFINTQBZIBTEC-WSDLNYQXSA-N 427.800 5.708 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)SC1=Nc1ccccc1 409236621 TZWSWZDLZIJUPH-CMEWOCMCSA-N 430.598 6.770 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=C/C(C)=C/c3ccco3)cc12 409289501 NDXVBRPDKIQAPZ-MTFHOORBSA-N 425.444 5.349 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 2161875 UOGUPGAITPLEMD-WQRHYEAKSA-N 433.888 5.289 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(C(C)(C)C)cc1 2450825 CMWHYRPUTZPSJU-UHFFFAOYSA-N 448.636 6.030 30 40 IKEB O=C1CSC(=S)N1/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 3275905 KIDFKCBCEKOBFS-AFUMVMLFSA-N 448.569 5.039 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1Cl 4078587 PQZNRMSRUHBYOC-HSZRJFAPSA-N 426.919 6.032 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 8739284 WGDCIXFXFONXPR-NRFANRHFSA-N 434.467 5.203 30 40 IKEB Cc1ccc(C[C@H](C#N)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 9127136 FTXQUHLYBKMXMY-WMZHIEFXSA-N 449.599 5.489 30 40 IKEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1OCCCOc1c(C)cccc1C 15945294 BSOYIPLJNAWQJA-YZSQISJMSA-N 449.507 5.514 30 40 IKEB CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Br)c2OC)cc1 16609903 VRBLUZSGMFBVIF-KEBDBYFISA-N 440.135 5.319 30 40 IKEB COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC 19913783 ZZWNPAHKQXMZTG-UHFFFAOYSA-N 443.971 5.330 30 40 IKEB CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1C 32672371 YCFXQLNAAFVZPJ-NSHDSACASA-N 441.862 5.256 30 40 IKEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nn32)c1 97964554 NAYHZYOTJGYWNN-QFIPXVFZSA-N 446.576 5.237 30 40 IKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1C 107718806 AVHJFKQRVBZKDQ-UXHLAJHPSA-N 446.554 5.970 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 118914520 KNJVWAVLNHNHKV-CQXMGPFDSA-N 430.654 6.502 30 40 IKEB C=CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 216831898 ZGEVEQKCXBTZDY-UHFFFAOYSA-N 425.706 5.423 30 40 IKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C#N 225767123 YDICRIXHCSEKEX-UHFFFAOYSA-N 445.390 6.740 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Br)cc1)C2=O 253497811 CTGFFXZZHKKDLF-SSSHKRAFSA-N 441.453 7.444 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 408759042 WWADGIWIRZCLTO-BKUYFWCQSA-N 433.489 5.617 30 40 IKEB CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(Cl)c1OC 408928152 ZZFMIMYCRPAALH-UHFFFAOYSA-N 429.944 5.181 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409071135 DWUIOHVKXKRCQM-UVHMKAGCSA-N 440.381 5.510 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(I)cc3)c2C#N)C1 409082754 NAKHXYUPXBWFLN-CHOFVFFHSA-N 448.373 6.126 30 40 IKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1O[C@@H](C)CC 409215592 BXWKEXQPXQGUTE-KQBRTPTCSA-N 438.637 7.097 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OC 409332864 SGLCRJDZMIZYCO-UNOMPAQXSA-N 445.993 5.882 30 40 IKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409385243 KGGCGBDAHSPIDO-OPEKNORGSA-N 430.932 6.276 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1 2248798 MBEVVNJRKJPSEU-JAIQZWGSSA-N 443.355 6.762 30 40 IKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(C)c1Cl 3113710 GXZMVDUPLCUEKH-NSKAYECMSA-N 445.733 7.528 30 40 IKEB C[C@@H]1/C(=N\O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 8615616 ZISSOKXBDZMEDP-KXNTUUPSSA-N 441.744 8.718 30 40 IKEB CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 8740994 KVZNFTVLSSYOJF-HXUWFJFHSA-N 448.475 5.374 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(OC)c1 8830078 YXYBNAMSWOQJQG-OPEKNORGSA-N 436.821 5.279 30 40 IKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1cccc(Cl)c1 9197087 GOENYLDEWPKBNJ-RPPGKUMJSA-N 449.765 6.358 30 40 IKEB CCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 9379647 NRXWTULIFTWMEG-JGTLJEJISA-N 431.561 5.483 30 40 IKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 10119101 SHEKVRPWPUIATA-CCVNUDIWSA-N 447.337 6.234 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 12375328 YJYMMUDJPLXJEZ-UHFFFAOYSA-N 427.529 5.198 30 40 IKEB CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 19848647 CUCLAAWMNHGELU-DEOSSOPVSA-N 449.522 5.052 30 40 IKEB COc1ccc(CN/N=C/c2c(C)n(Cc3ccccc3C)c3ccccc23)cc1OC 20196651 AHPFRUBEWQBNMH-STBIYBPSSA-N 427.548 5.447 30 40 IKEB C=CCNC(=S)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 27525852 ZFSCTXQCTMJQRS-UHFFFAOYSA-N 429.564 6.001 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(CC)cc3)c2c1 28182402 PMRFLCBGGJWRLT-UHFFFAOYSA-N 441.527 6.878 30 40 IKEB biogenic O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)S/C(=N\c2ccccc2)N1c1ccccc1 33348088 RNTWUJDCCSQWMC-XWEQAZCRSA-N 441.339 6.508 30 40 IKEB FC(F)(F)c1cc(Cl)nc(/N=C(\Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 91695329 OZPYBTHMJRGNQG-UHFFFAOYSA-N 444.671 7.251 30 40 IKEB CCCCCCCc1ccc(/C=C/c2nc(C3CCC(CCCCCC)CC3)no2)cc1 97957810 UWIOXUNFJMZIPB-BSYVCWPDSA-N 436.684 8.997 30 40 IKEB CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(c3ccccc13)CCCC2 100690477 ZXRJZXYVPWVEIT-SSEXGKCCSA-N 437.712 7.995 30 40 IKEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102590018 ABRYUGDREVOOIP-WOOAAIBNSA-N 428.271 5.208 30 40 IKEB CCc1ccc2oc(-c3cc(/N=C\C=C\c4ccc(Br)cc4)ccc3O)nc2c1 103302562 WYCAJGGUYHLPFJ-UTIYYKKGSA-N 447.332 6.941 30 40 IKEB N#Cc1c(N=Cc2ccc(Cl)c(Cl)c2)sc(-c2ccccc2)c1-c1ccccc1 245228909 ISOPHEIAMRARBG-UHFFFAOYSA-N 433.363 8.011 30 40 IKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 260572613 XLELGTSTCHDUPB-NMYLSWQBSA-N 437.996 6.206 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)SC1=S 408813976 FMRTWSHLZFGNRL-YVLHZVERSA-N 433.396 5.244 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccc(C)cc1 408908898 SYCWHLJBKBUERV-UINIZAEWSA-N 428.557 6.198 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 408909811 FCOYNKNLSHMPRO-NVZLDUMVSA-N 431.473 5.412 30 40 IKEB COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O 408917134 NITJPQHUFUFXEK-YCJCGMCGSA-N 440.524 6.246 30 40 IKEB FC(F)(F)c1ccc(N/N=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 408931008 GAAFIKXGUYREKU-VROXFSQNSA-N 443.650 6.827 30 40 IKEB C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 409074814 RYGPGCMWROAPJG-UHFFFAOYSA-N 449.591 5.406 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 409213079 OHHUAFFUOBOBPZ-MFKUBSTISA-N 440.337 6.186 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1 409214954 YVFBRUYHLYICMR-JJIBRWJFSA-N 425.506 5.002 30 40 IKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1[N+](=O)[O-] 409388622 VPTBRVQJJDQAQT-ROTLSHHCSA-N 441.846 5.464 30 40 IKEB COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 8464172 QAUAXJHIFMEREE-QFIPXVFZSA-N 449.890 5.146 30 40 IKEB COc1cccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)c1 8876254 KKBDZNJFNMHIIW-HXUWFJFHSA-N 429.516 5.064 30 40 IKEB biogenic Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 13306169 WLNIKOMTEDTWHC-QDJRPKQISA-N 429.570 6.174 30 40 IKEB COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(C)cc3)nc3c2CCCC3)cc1 15303678 RMISXZSCNXAHLI-UHFFFAOYSA-N 428.557 5.791 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2ccccc2Cl)c([N+](=O)[O-])c1 21964290 DXNHGAXRULYSSZ-WSDLNYQXSA-N 426.816 5.181 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)c1 33656132 YZACCTILOSAOID-LPYMAVHISA-N 446.532 5.511 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccccc2)cc1 44858798 VGYLRCWJVYHHDT-HSZRJFAPSA-N 426.520 5.102 30 40 IKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 100508735 HSSKSTDPRUHTLN-YSURURNPSA-N 435.823 5.844 30 40 IKEB Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 102500381 KMXVVWICWBYRAB-KDJFERLWSA-N 436.942 6.923 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N/c3cccc(C)c3)N(CCCSC)C2=O)cc1 102923058 RAZKWSMPVZRHGS-BUUFFXLRSA-N 426.607 5.751 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 108228764 NCWNJGRDMBZRRH-AWEZNQCLSA-N 447.391 5.554 30 40 IKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)s1 136249939 BQFQPHFRRGAEBR-XCBKRSKDSA-N 443.638 5.819 30 40 IKEB C=CCOC(=O)c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1 226325105 MXYAYWWGFNEQKZ-UHFFFAOYSA-N 427.294 5.533 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 408613559 YBWJBKGSJUNXFH-UHFFFAOYSA-N 442.107 5.297 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)NCc1ccco1 408802910 JBTNJGCRYCVCKZ-RAWMCFOBSA-N 436.817 5.398 30 40 IKEB CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1ccc(C(=O)OC)cc1 408911376 NGUKVVPGWAEAIN-JUMVDPBBSA-N 446.528 5.259 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C 409202368 SCSPGNPGMZYACF-ZMOGYAJESA-N 439.309 6.304 30 40 IKEB COc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 409215898 GIPKBZVNJMTZKY-ZVHZXABRSA-N 426.310 5.796 30 40 IKEB N#Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)oc(-c2ccco2)c1-c1ccco1 409383316 WBDYDJXDZWQNQA-VULFUBBASA-N 439.383 6.590 30 40 IKEB COc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409383331 UHTHWPIWBAMUCA-RPPGKUMJSA-N 447.293 5.909 30 40 IKEB COc1ccc(-n2c(C)cc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2C)cc1 409402119 GJUKMPCOVSWZFZ-UHFFFAOYSA-N 448.526 5.362 30 40 IKEB C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@@H](c1ccc(O)cc1O)CC2=O 2529782 LTTQKYMNTNISSZ-WAIKUNEKSA-N 438.520 5.610 30 40 IKEB biogenic,in-vitro N#Cc1ccc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 3276378 UOYOFCZIUIHZFB-UHFFFAOYSA-N 436.920 5.299 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C#N)C1 8456729 YPWJUYSPRHECOD-ZCFIWIBFSA-N 438.315 5.151 30 40 IKEB COc1ccc(Nc2nc(N/N=C/c3cccc(Cl)c3)nc(Nc3ccccc3)n2)cc1 8872845 AOYLKBQNEGLMOO-MFKUBSTISA-N 445.914 5.467 30 40 IKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 8883649 HDDGRPHOCACWHU-QFIPXVFZSA-N 436.920 5.227 30 40 IKEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 9013403 XTLZACFZSDEUKR-UUILKARUSA-N 433.460 5.396 30 40 IKEB COc1cccc(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1 9192131 NIEVCZALFHGUEU-UUYOSTAYSA-N 427.283 6.197 30 40 IKEB N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NCc2c(Cl)cccc2Cl)cc1 9196871 KVYCBUPXTVRCEJ-KKMKTNMSSA-N 444.749 6.221 30 40 IKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 9272805 BGNSDCKQVAQFLK-FQEVSTJZSA-N 434.835 5.031 30 40 IKEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 11617080 BCXHNAPLPBHTEH-FMIVXFBMSA-N 430.847 5.653 30 40 IKEB C/C(=N\n1c(-c2ccc(OC(F)F)cc2)cs/c1=N\C(C)C)c1cccc([N+](=O)[O-])c1 12311378 SECJMDYJNIWDSY-MGDZYPNESA-N 446.479 5.308 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 13895083 ZHMHTLPHAAKZPY-LICLKQGHSA-N 436.291 5.381 30 40 IKEB Cc1ccc(C(=O)Oc2ccccc2/C=C2\Oc3ccc(Br)cc3C2=O)cc1 16805793 VANFNKDQUAZNRP-MTJSOVHGSA-N 435.273 5.593 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccs1)c1cc2ccccc2o1 16806159 AWACMYWSLBVEDN-JOCHJYFZSA-N 429.497 5.315 30 40 IKEB COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c1 20647280 QPAHXOBLCNUXLM-MSXFZWOLSA-N 439.552 5.140 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccccc1OC 34792480 QVQPWUFZOVOSRX-BEIQUOEZSA-N 441.578 5.088 30 40 IKEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)c2cc(F)ccc21 36367340 KALBXNMWYAWPEJ-XMMPIXPASA-N 448.475 5.063 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 59426557 PMCVXAKJPNTXRG-BRJLIKDPSA-N 441.318 5.903 30 40 IKEB CC(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1 98086883 ZGPBEJZBICURJZ-DHRITJCHSA-N 435.321 6.837 30 40 IKEB O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 101104139 RTKMTWAHZZSDBE-YDJIHCHBSA-N 434.289 5.075 30 40 IKEB CCCCCCCCOc1ccc(/C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1 103038249 FPAHKPIGHJWKQI-RELWKKBWSA-N 440.634 6.654 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@@H]1[C@H](C(=O)OC)N1[S@@](=O)c1ccc(C)cc1 104316203 AZKUUQNZEQUQCQ-YVGVOVMBSA-N 447.685 6.501 30 40 IKEB CCCCCCCCCCC/C=N\NC(=S)N/N=C/CCCCCCCCCCC 104376612 XVFOADJKVANFGQ-AORWUECESA-N 438.770 8.264 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 260572380 VCPNZXLBOPGKPA-YOIRLTMBSA-N 431.605 6.331 30 40 IKEB CCN(CC)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 408542715 NOETUEVRGQAVTH-RDRPBHBLSA-N 439.559 6.073 30 40 IKEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 408702969 WYUVBLOTASZFOR-HXUWFJFHSA-N 448.346 5.387 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408781392 CTXNPKAQYIOQGU-QUYTYNJFSA-N 430.957 5.075 30 40 IKEB Brc1cc(/C=N\c2ccc3ccccc3c2)oc1I 408949983 CWUNSBMHDPDGNV-NVMNQCDNSA-N 426.051 5.551 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccc(F)cc1 409069838 ARSZSRLZGYLSPM-KGENOOAVSA-N 439.508 5.364 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 409072405 RUTGHWUNHPEFPQ-CIAFOILYSA-N 428.857 5.754 30 40 IKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409103519 ACVKZMIDKGQKPW-XDHOZWIPSA-N 429.925 5.458 30 40 IKEB O=C(Nc1ccc(Br)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2648586 TXRGKDUTMXFZPJ-UHFFFAOYSA-N 430.117 5.878 30 40 IKEB CCCCSC(=O)[C@@]1(C)CC[C@H]2[C@H](CC=C3C[C@@H](OC(C)=O)CC[C@@]32C)[C@@H]1CC#N 8616313 JFFSTLYNUSZJBJ-BKWLFHPQSA-N 431.642 6.061 30 40 IKEB CCCCCCOc1ccc(/C=C/C(=O)c2ccc(OC)c(CSCC(=O)O)c2)cc1 13096896 ZHYWUMBYTAUXCJ-UKTHLTGXSA-N 442.577 5.868 30 40 IKEB Clc1cnc(N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)c(Cl)c1 13527935 QEWIVNOVGSONRQ-SSDVNMTOSA-N 438.409 6.010 30 40 IKEB CCc1ccc(N2C(=O)C[C@@H](c3ccc(OC)cc3OC)C3=C2CC(C)(C)CC3=O)cc1 13567833 VZJGGJVHZGUOIQ-NRFANRHFSA-N 433.548 5.430 30 40 IKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 16637017 NLTANEGYLUGUFL-AWQFTUOYSA-N 440.681 5.206 30 40 IKEB CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C(C)(C)C)cc3)cc2)cc1 16638406 OUYWDNKAPMQUET-DFKUXCBWSA-N 441.615 8.077 30 40 IKEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 18249861 YDTXFOIGDQGKQP-NRFANRHFSA-N 444.453 5.401 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccc(C(C)C)cc3)c(C)c2s1 72228794 IMXGGBBCUYOBKJ-YUMHPJSZSA-N 438.597 6.252 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 97954125 SENMYFYAAGGFKY-UHFFFAOYSA-N 425.536 5.313 30 40 IKEB COc1ccc(/N=C\c2nc(-c3ccccc3)oc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 100902307 LWTDZZGXVXAKIK-MYYYXRDXSA-N 443.415 5.228 30 40 IKEB Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C 101650980 SLZPGWNZZGPDGQ-OVJLLXBISA-N 436.364 5.200 30 40 IKEB COc1ccc([C@H]2CC3=NC4=C(C(=O)c5ccccc54)[C@@H](c4ccc(C)cc4)C3=C(O)C2)cc1 102580671 ALQJVCLZXJUQKW-FNZWTVRRSA-N 447.534 6.539 30 40 IKEB Oc1ccccc1/C=N\c1ccc(-c2nc3cc(/N=C\c4ccccc4O)ccc3o2)cc1 103927348 ZCTHBMAKHKOVOW-QRMZFMMFSA-N 433.467 6.407 30 40 IKEB N#C[C@@H]1C[C@]2(c3ccccc3)C(=O)[C@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 104127317 TWDUEZCBTVNBEI-OOCAJSIRSA-N 437.542 6.600 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CO 108860521 CTHUQQFNFRTUSM-LUGJLRLLSA-N 439.681 6.977 30 40 IKEB Cc1cc(C#N)c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1-c1ccccc1 215734916 OLHKCWXPDVXMJI-UHFFFAOYSA-N 443.450 5.558 30 40 IKEB CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 248294845 WHLBCNRCXJZXMF-ZSYZGHEHSA-N 428.610 5.320 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc1Cl 409019638 KAXNFZNKUDNRSL-RZODSBTMSA-N 444.984 5.768 30 40 IKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409085559 ZXJYKXYVKGUXSV-RDRPBHBLSA-N 431.576 6.568 30 40 IKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409211674 MPRBDSDRPLGVPJ-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB COc1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)cc1 409288137 DDWJQFWPFQDUDI-UHFFFAOYSA-N 429.863 5.354 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 1531384359 GQPXVPPTFIXUSW-MOROIOLQSA-N 442.475 5.031 30 40 IKEB Brc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)c1 1780519 JPZGNUNKPMEWKH-BUVRLJJBSA-N 449.377 5.882 30 40 IKEB CCCCCCCn1cc(OC(=O)CCC)c2c1nc(CCC)n1c3ccccc3nc21 2350327 SGKLOHKJBLFNFF-UHFFFAOYSA-N 434.584 6.466 30 40 IKEB Clc1c(Cl)c(Cl)c(N/C(=N/c2ccccc2)c2ccccc2)c(Cl)c1Cl 12563664 STKYYUQQNRKMTG-UHFFFAOYSA-N 444.576 8.144 30 40 IKEB Cc1nc(NC(=O)c2ccccc2-c2ccccc2C#N)sc1-c1nccn1C(F)F 12579863 SRDMVRHLNNOCSZ-UHFFFAOYSA-N 435.459 5.501 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc4c(cc3OCC)C[C@@H](C)O4)c12 12681232 NQHLJROAYVULNT-FMQWLBJXSA-N 441.531 5.402 30 40 IKEB C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1Cl 12891976 REMBHUYNBJALCE-UHFFFAOYSA-N 440.952 5.282 30 40 IKEB O=C(c1ccccc1Cl)c1cc(Cl)ccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 13015000 HMUYMIFMXBHSPC-BHGWPJFGSA-N 433.678 6.537 30 40 IKEB COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 13617823 LWTDZZGXVXAKIK-MFKUBSTISA-N 443.415 5.228 30 40 IKEB O=C1/C(=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)COc2ccccc21 15910719 OPMTUKYFMMVCPK-KOEQRZSOSA-N 448.518 6.503 30 40 IKEB COc1cccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3cccc(OC)c3)C2=O)c1 25197558 AIQWHIYOLDHKFR-KOJZRSEWSA-N 425.528 5.256 30 40 IKEB CC(C)c1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 32984224 WHLAJBDAUMMFLT-UHFFFAOYSA-N 437.948 6.113 30 40 IKEB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](OS(=O)(=O)c3ccc(C)cc3)CC[C@H]12 45069008 ZJUABQDERHSYQM-DQUFFZNGSA-N 440.605 5.634 30 40 IKEB FC(F)(Cl)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)C(Cl)(Cl)Cl 95682117 ZUBPFQXYAINABF-NHYDCYSISA-N 436.768 6.268 30 40 IKEB CCCCCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21 100035825 LQJIBDWRCMNTPY-UHFFFAOYSA-N 434.692 7.333 30 40 IKEB Oc1ccc(Cl)cc1/C=N/c1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1 100484401 QDRKFOPNKWCRGX-DWKNVBGRSA-N 442.002 7.586 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc2ncccc2c1 100505608 YSABFKLXKYRUKY-CCSRSWJSSA-N 432.574 5.619 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 100851705 KOMWUKLLSHXKFC-JWGURIENSA-N 443.609 6.971 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C(=O)N1C 408911976 LJGKPDPQEDAMBW-FUQOYWQNSA-N 442.584 6.370 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1 408959655 CPNMSOOVXDAKIB-PAPBZEPUSA-N 439.584 6.091 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c1C 408961950 VYAPXVCAVPQDKE-MLSYBWHESA-N 429.589 6.199 30 40 IKEB CCOC(=O)c1c(/N=C\c2ccc(-c3ccccc3C(F)(F)F)o2)sc2c1CCCC2 409200561 IFAZZZAGPKIPRN-WKIKZPBSSA-N 447.478 6.833 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409208736 CXMYXAANRNIULE-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CCOc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C 409217814 WWGWRGHMLXKLDX-AWQFTUOYSA-N 431.555 6.323 30 40 IKEB C=CCOc1c(Cl)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 1531383138 XYCSNZUXJVLNLM-JVWAILMASA-N 445.906 5.173 30 40 IKEB C=C(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@@H](C(C)C)O[C@H]1c1cc(F)ccc1OCC(=O)O 2037879202 FGJKKFIUTVJNIM-LDTXMFMOSA-N 446.946 6.405 30 40 IKEB COc1ccc([C@@H](CC(=O)c2ccccc2)[C@@H](C#N)c2ccc(Br)cc2)cc1 1084377 HPQCQYKQZYRGAA-PKTZIBPZSA-N 434.333 6.122 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2ccc(F)cc2)cc1 1457562 SZKORZTXWSYTIG-UZTOHYMASA-N 428.507 6.122 30 40 IKEB CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1780552 VWXLCLVILGZDQV-OVVQPSECSA-N 426.589 6.417 30 40 IKEB O=C(NC(Cl)=C(Cl)Cl)OCC#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2556010 ZPPJECZXOHEMOV-UHFFFAOYSA-N 440.554 5.645 30 40 IKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1 3208154 ILWDMLMTVNTMTC-ZMOGYAJESA-N 435.277 5.795 30 40 IKEB C=CCCCCCCCCC(=O)ON(Cc1ccc(O)c(OC)c1)C(=O)C(F)(F)F 5941555 GUWJDYGTQODFBK-UHFFFAOYSA-N 431.451 5.057 30 40 IKEB CCOC(=O)[C@@H](CC)Sc1nc(-c2ccc(OCC)cc2)cc(-c2ccccc2)c1C#N 6134576 JJLIDQBSPIEYDR-XMMPIXPASA-N 446.572 6.120 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2cccs2)cc1 6157000 IADRAYWMJXEQEO-FYSMJZIKSA-N 427.529 5.522 30 40 IKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCc1ccccc1Cl 6474175 IESYACAGFXSSPA-UHFFFAOYSA-N 447.390 7.886 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 8827761 QSCBHLWORUNFBM-GOSISDBHSA-N 436.876 5.326 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccc(F)cc2)cc1 9546503 JBTUOHMTNWAOJK-DWXRJYCRSA-N 439.490 5.600 30 40 IKEB Cc1cc2ccccn2c1C(=O)c1ccc(NN=C2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])c1 12562971 ACNHOEQLFHGCOV-UHFFFAOYSA-N 446.551 6.391 30 40 IKEB Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc3ccccc3c2)n(Cc2ccco2)c1C 12984130 JNYNKROVIUZLNI-GOSISDBHSA-N 426.520 5.060 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc34)NC2=O)ccc1OC(C)=O 13914807 NUZZFSGDPCXNQZ-HYARGMPZSA-N 432.501 5.055 30 40 IKEB CSc1nc(Nc2ccc(Br)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820514 BFYGBZGDFJWLDQ-UHFFFAOYSA-N 431.746 5.897 30 40 IKEB CC1(C)CCC[C@](C)(C#CCN2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)O1 20648829 NSPYZZFXRIZTQP-MUUNZHRXSA-N 443.591 5.229 30 40 IKEB CCOc1cccc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O 32114940 ZUSUUQGGVMZWCK-KBKYJPHKSA-N 428.822 6.281 30 40 IKEB CCN(Cc1ccc(C#N)cc1F)Cn1nc(Nc2ccc(C)c(C)c2)sc1=S 32935415 DBECQIOQVRLLAQ-UHFFFAOYSA-N 427.574 5.525 30 40 IKEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCCCCCC(C)C)cc1 33712516 VZPIYBMYVKNQKG-QJOMJCCJSA-N 428.489 5.934 30 40 IKEB CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 35982122 QHSIPLRFUZZWRP-YNSGVOSJSA-N 431.532 5.096 30 40 IKEB Cc1cc(N/N=C2/C(O)=Nc3c(Br)cc(F)cc32)nc2ccc(Cl)cc12 58953916 CFARGESWHRXEKU-UHFFFAOYSA-N 433.668 5.516 30 40 IKEB CCCCN(CC#CC[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1)CCCC 96194508 NEDPZSJQOWFLKW-HKBQPEDESA-N 439.643 6.885 30 40 IKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 100073851 VDIPBEGLYOZPDS-ZTKZIYFRSA-N 442.559 5.791 30 40 IKEB CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc23)C[C@H](c2ccccc2)CC1=O 100139599 JXMYHPMGFACJMR-NRFANRHFSA-N 428.576 5.769 30 40 IKEB CCN1/C(=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)Sc2ccccc21 100201978 OKJDGXVIQVUENO-QDJRPKQISA-N 435.618 6.384 30 40 IKEB CN(C)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102603006 JGIXGZPRIAAVOA-HOGKFDNTSA-N 432.907 5.032 30 40 IKEB CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(/N=C\c4ccc([N+](=O)[O-])cc4)cc32)cc1 104335619 SRKKDHXJUSSFLO-IFFAIQBCSA-N 445.522 6.981 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 110284048 LKHZLYSRFRLDGL-CLCOLTQESA-N 434.580 6.631 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)SC1=Nc1ccccc1 260573370 YIYPGRHCNAEFFC-WFGOECQOSA-N 447.648 6.731 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 408760246 VJIWGEZRGFMQTP-WQRHYEAKSA-N 445.327 6.154 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O 408861246 ASSYLCAUHMZIDY-HMAPJEAMSA-N 432.932 5.705 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408896552 OHEFCHYNWUPEDL-ZMOGYAJESA-N 449.359 5.193 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N/c1ccc(OC)cc1 409236450 GLAMVPDCWNSVKU-IZSQXYTLSA-N 426.538 5.115 30 40 IKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccccc1C(F)(F)F 409289934 PUWCURRXFDDVQA-UHFFFAOYSA-N 433.389 5.711 30 40 IKEB N#Cc1c(/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)sc2c1CCCC2 409385624 BEDYMOVYCJRJAY-HPNDGRJYSA-N 431.948 5.820 30 40 IKEB C=C(C)Cn1c(SCc2ccccc2)nc2scc(-c3ccc(Cl)cc3)c2c1=O 2070752 HZTUFGJOZBJJAR-UHFFFAOYSA-N 439.005 6.647 30 40 IKEB C=C(C)CSc1nc(SCc2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2403373 VVQGUKOORLZHJU-UHFFFAOYSA-N 428.648 6.503 30 40 IKEB Cc1ccc(Cl)cc1/N=C1\NC(=S)N(Cc2c(F)cccc2F)C12CCCCC2 3663838 MTZGNBQCSRYBTK-UHFFFAOYSA-N 433.955 6.050 30 40 IKEB Cc1nnsc1/C(=N/c1ccc(Cl)cc1Cl)Oc1cccc(C(F)(F)F)c1 8873361 ZHYZJRFRGPDLAV-KQWNVCNZSA-N 432.254 6.329 30 40 IKEB CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1 8951398 UNEWJJCUZQOVOH-LEBHLANCSA-N 441.003 5.097 30 40 IKEB CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 12579504 ORLCPCJHIRPNPH-QGZVFWFLSA-N 435.467 5.817 30 40 IKEB N#CCSc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 12679138 CLDAPYQAJOSBJS-NRFANRHFSA-N 425.604 5.011 30 40 IKEB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3Br)c(C#N)cc2c1 13503497 ZYHUVRCBGKFFPU-UHFFFAOYSA-N 426.339 5.217 30 40 IKEB CCOc1ccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1 13576529 FGZPNPTYWDRTON-NRFANRHFSA-N 443.543 5.454 30 40 IKEB biogenic C#CCN1c2ccccc2C(=O)N(/N=C/c2ccccc2Cl)[C@H]1c1ccccc1Cl 15022393 RYQLOXXXEGROOQ-JEWPKMHUSA-N 434.326 5.622 30 40 IKEB COc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1Br 16226581 IBKXMTRPQNLHNX-YDZHTSKRSA-N 441.281 5.413 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)c1 16268927 KEOXEUXONYSXGV-JAIQZWGSSA-N 443.355 6.762 30 40 IKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2cccc3ccccc23)c2ccccc12 20763569 LZVQLEJQWJUKKU-ZCTHSVRISA-N 433.555 6.284 30 40 IKEB C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccoc1C 32946274 KFXLDPURZGAPTH-HNNXBMFYSA-N 440.594 5.042 30 40 IKEB CC(C)(C)[C@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccc(Cl)cc1 96579890 OTFAKJFWVGHUCT-CQSZACIVSA-N 448.766 5.110 30 40 IKEB O=C(/C=C/NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1)/C=C/c1ccccc1 100329170 LVHQKFUUCNWOFK-DWYCGCGSSA-N 425.319 5.087 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118914946 WKXDFOKWTASGPK-YKPAUJJQSA-N 432.604 5.664 30 40 IKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226334139 QXTVNFYADUUBJE-VMPITWQZSA-N 442.136 6.077 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cnn(C)c5C)C(=O)[C@@]4(C)CC[C@H]32)C1 252489249 JMQZWPIAQPSGBR-CRHNCYMYSA-N 436.596 5.185 30 40 IKEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/Nc2nc3ccccc3n2CC)c1C 408692815 WBPRQLOJRFMYDE-WGOQTCKBSA-N 429.524 5.086 30 40 IKEB COc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 408774399 ZZGRMANEBPSBBY-LPYMAVHISA-N 430.289 5.458 30 40 IKEB CCn1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 408819214 XDMUTRXHVNMUHE-YUMHPJSZSA-N 433.621 6.415 30 40 IKEB COc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 408858532 SVDNSIYQYSOKBE-ROTLSHHCSA-N 430.287 6.030 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OCc1ccccc1 408905498 AVFCLOUOKLZHEM-YCJCGMCGSA-N 444.556 5.816 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409199888 FMQNEUHMBIOVGK-PCLIKHOPSA-N 443.952 5.819 30 40 IKEB Cc1ccccc1/N=C/c1c(OS(=O)(=O)c2ccc(Cl)cc2)ccc2ccccc12 409212300 OQUYGVMBOSOXDJ-WGOQTCKBSA-N 435.932 6.320 30 40 IKEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1cccc(F)c1 409213989 WCKLMJILDDZGOR-MYVOUCEISA-N 442.556 5.502 30 40 IKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 854103 BYIRBTICBVTIIR-XMMPIXPASA-N 432.520 5.214 30 40 IKEB biogenic N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 865632 DBSYBNNTKIBHEC-CVEARBPZSA-N 445.832 5.321 30 40 IKEB O=C(NC(Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1 2311338 QVQVRGQAZKPHMQ-UHFFFAOYSA-N 430.270 5.368 30 40 IKEB CCCCCN(CCCCC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4016168 LSIDPRICDYDZJC-HKOYGPOVSA-N 441.532 6.136 30 40 IKEB COc1ccc(/C=N/N=C2\SC(=N\C(C)(C)C)/C(=N\C(C)(C)C)N2c2ccccc2)cc1 8399225 NFRLCTNVQZPKGY-HTGQBARJSA-N 449.624 6.033 30 40 IKEB CCCN(CCC)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccc(OC)cc2)c2ccccc21 8430841 FEHQBUXEGJMXLC-MEWQITQSSA-N 434.580 5.029 30 40 IKEB CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 9177725 KQQBUTFVBPHWHZ-QFIPXVFZSA-N 446.890 5.081 30 40 IKEB C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)\c1cccc(Oc2ccccc2)c1 9331252 SCOPQLAKHUHVSQ-ZTKZIYFRSA-N 443.510 6.444 30 40 IKEB C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)c1ccc[nH]1 9583757 RQVMCKBECMXPHM-UHFFFAOYSA-N 430.533 5.013 30 40 IKEB COc1ccc(-n2c(C)cc(/C=N\Nc3ccc(I)cc3)c2C)cc1 12364020 ARXCTFJWNHEQNX-XKZIYDEJSA-N 445.304 5.153 30 40 IKEB CC(C)Oc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1Cl 14008690 QJHJGFVRCCFXEU-CXUHLZMHSA-N 441.767 6.326 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C)cc1 14082398 DJDRMUVFYOVGTG-UHFFFAOYSA-N 432.471 5.189 30 40 IKEB Cc1ccc(Nc2nc(N/N=C/c3ccccc3O)nc(Nc3ccccc3)n2)c(C)c1 14920428 BEATWHIPQAUFGX-MFKUBSTISA-N 425.496 5.127 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1 17098489 WBMRVESQUZSWJJ-ZASWBZMTSA-N 433.533 6.690 30 40 IKEB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 19848695 VWRLBXFGNNQUOS-XMMPIXPASA-N 449.978 5.730 30 40 IKEB O=C(C1=CN(c2ccc(OC(F)(F)F)cc2)c2ccccc2S1(=O)=O)c1ccccc1 32984137 HMRCKELTUPPPSK-UHFFFAOYSA-N 445.418 5.235 30 40 IKEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)S2)cc1 59137866 DUXSGSNEYCRGCW-ZHZULCJRSA-N 436.558 6.030 30 40 IKEB Fc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F 97949836 DQVZIZAHJQQOPV-UHFFFAOYSA-N 436.089 6.920 30 40 IKEB C=C1S/C(=N\c2c(C)cccc2C)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 100010436 ADSWCQFUPZGLJU-NMWGTECJSA-N 434.396 6.253 30 40 IKEB CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)O 100503720 MUDPWZRGYHRPDQ-JOCHJYFZSA-N 430.626 6.627 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 106687391 ZGFCCPZXPAEKQD-UNOMPAQXSA-N 429.925 5.322 30 40 IKEB CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1 108450312 PUGACACYWXKMSL-JOCHJYFZSA-N 434.532 6.282 30 40 IKEB biogenic Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)cc1 253617458 NVFBLCBUSIGTCH-BMBQRRFPSA-N 444.637 5.681 30 40 IKEB Clc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408732255 QCWJCHPNFVOJQE-NJZRLIGZSA-N 432.954 8.215 30 40 IKEB Cc1ccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)cc2Br)cc1 408750776 ROPJZIWBZFCYLT-KSEXSDGBSA-N 441.285 5.086 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 408767675 ZUCNMSRQVYHHQE-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB CCOc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1cccc(C)c1 408980677 SEYMBGXMXQVLHR-UHFFFAOYSA-N 449.554 6.464 30 40 IKEB CC[C@@H](C)Oc1ccc(/C=N\c2ccc(I)cc2C)cc1Cl 409012330 QNWFYQATFMVGHU-PJICWNCHSA-N 427.713 6.181 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)S2)cc1C 409200813 JTVIKBFFDNMDBV-XKZIYDEJSA-N 445.544 5.301 30 40 IKEB C/C=C/[C@@H]1C(C(=O)c2c(O)ncc(-c3ccc(O)cc3)c2O)=CC(C)=C2CC[C@H](C)C[C@@H]21 514287864 FCQPLAILVSLWDT-KJSUWIAWSA-N 431.532 5.933 30 40 IKEB biogenic,in-vitro COc1ccc(NC(=S)NN=C/C=C(/Cl)c2ccc(Cl)cc2)c(C(F)(F)F)c1 575628241 LTBMNFZBNXPHQL-WSTNFSLASA-N 448.297 5.920 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl 669403 YKXVKWNYSYPDTF-QHCPKHFHSA-N 443.374 6.546 30 40 IKEB COc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1OCCc1ccccc1 1780597 FSNCWLWXCQMMSJ-WPWMEQJKSA-N 444.560 5.083 30 40 IKEB C=C(C)Cn1c(SCCCCCC)nc2ccc(I)cc2c1=O 2195145 HILJIQAGUHKNOO-UHFFFAOYSA-N 442.366 5.250 30 40 IKEB COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 8811851 QIFIWRDPCNOTMX-RPPGKUMJSA-N 449.765 6.358 30 40 IKEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 9261478 AFXVEHLHXHVVBO-WMLDXEAASA-N 444.988 5.318 30 40 IKEB ClC(Cl)(Cl)c1nc(N/N=C/c2ccc(Br)cc2)c2ccccc2n1 13301661 ATOFONXFMDYVIO-ZVBGSRNCSA-N 444.547 5.665 30 40 IKEB C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1cccc(C)c1 14395429 BISKMFFHFBKTOW-UHFFFAOYSA-N 430.371 5.406 30 40 IKEB N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)c2c1CCCC2 18142112 HBUSOGTYFVMSIC-UHFFFAOYSA-N 434.392 5.268 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(OC)cc1 30738666 UAVDEMZBOXQRKS-ZMPCKTLKSA-N 439.606 5.860 30 40 IKEB COc1cc(C(=O)/C(=C/c2sccc2C)c2nc3ccccc3[nH]2)cc(OC)c1OC 32642230 AHSBXKMJQWJRAZ-SSZFMOIBSA-N 434.517 5.382 30 40 IKEB Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)CC2 32915303 LURSHZBYQNXVRI-RVDMUPIBSA-N 435.863 5.404 30 40 IKEB Fc1ccccc1-c1nc(N/N=C/c2ccc3nccnc3c2)nc2ccc(Cl)cc12 46085367 JWWNPSMTYBYVQC-XODNFHPESA-N 428.858 5.479 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccccc1 59426424 QSZMDHXFLDWPAM-NVZLDUMVSA-N 431.473 5.645 30 40 IKEB CCCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 97953937 JVAONTSLNCYECV-HSZRJFAPSA-N 431.624 7.006 30 40 IKEB F/C(=C\CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531129 WPOGWQQXPOKULW-IWQZZHSRSA-N 446.100 6.531 30 40 IKEB COc1ccc(-c2oc(/N=C/c3ccccc3OC)c(C#N)c2-c2ccc(OC)cc2)cc1 111916040 UZSXXPDDKXDTAH-STBIYBPSSA-N 438.483 6.262 30 40 IKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2)s1 252494100 NKWHHQNUUVFEIA-HCGXMYGOSA-N 435.233 6.116 30 40 IKEB O=S(=O)(NCc1ccc(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)o1)c1ccccc1 408773805 JFPJUUONTCBAGE-BHGWPJFGSA-N 442.846 5.181 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(C)cc2)cc1 408912567 NXEIEHNKUKYJRF-JUMVDPBBSA-N 428.513 5.810 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1OC(C)C 408917557 XCGKYIFYAVDCKB-GZAOZUBMSA-N 448.544 5.880 30 40 IKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CC(C)(C)CC2=O 409034182 MRJLLMDHHONXAB-UHFFFAOYSA-N 448.390 6.014 30 40 IKEB Cc1cccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1C 409201270 LBTLUTQMVRYBMH-LQKURTRISA-N 444.372 7.549 30 40 IKEB CCc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 409203808 YXTTTWFYFXOVCY-WPWMEQJKSA-N 449.959 6.574 30 40 IKEB CC[C@@H](C)Oc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl 409286642 WSBWBHZZVCHASY-GFCCVEGCSA-N 448.748 5.180 30 40 IKEB N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCc1sccc1-2 2150639 FIXGDQANLRRFDP-UHFFFAOYSA-N 445.012 7.393 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccc(F)cc1 2235167 WRYJORCCMJUHCY-JAIQZWGSSA-N 429.230 5.968 30 40 IKEB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 2307088 LBJNAPCRWZIAOS-QNGOZBTKSA-N 447.585 5.325 30 40 IKEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc(OC)c1OC 6077228 APMJSVUKEGGGQT-DEOSSOPVSA-N 443.543 6.066 30 40 IKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1ccc(Cl)c(Cl)c1 8857399 IDOPPPOUAOVYIU-UHFFFAOYSA-N 425.262 7.097 30 40 IKEB Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 9373726 VONWDIDJWONXBY-IQGLISFBSA-N 439.511 5.097 30 40 IKEB CCCCCOc1ccc(/C=N/N=c2\sc3cc(C)ccc3n2Cc2ccccc2)cc1 9514057 ZZZCASQHTLXFSC-MTNYMUFXSA-N 443.616 6.563 30 40 IKEB Cc1cccc(/C=N/CC[C@@H](S)CC[C@@H](S)CC/N=C/c2cccc(C)c2O)c1O 18061841 BOFCHUFJJKIXGD-FFSNSUEASA-N 444.666 5.410 30 40 IKEB CCSc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608487 HJPHNCLWTQHFJK-MWTRTKDXSA-N 446.576 5.237 30 40 IKEB O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 32109220 GPOYDCYYMULJQP-HRRUJZEASA-N 428.513 5.088 30 40 IKEB N#Cc1cccc(Oc2cccc(C(=O)OC(c3ccccc3)c3ccccc3)c2)c1C#N 35140547 DBRJMIVRVXSPLS-UHFFFAOYSA-N 430.463 6.169 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)cc21 223484121 UWRIMQVPSSLVLU-OYKKKHCWSA-N 445.632 6.605 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(CC)cc4)NC3=O)o2)cc1 408764596 UXDSZWPEDXCGQR-JCMHNJIXSA-N 446.528 5.577 30 40 IKEB CCOc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2CC)cc1 409022092 JGBDMOXSYAJOAJ-YOIRLTMBSA-N 443.528 5.841 30 40 IKEB C#CCOc1c(CC=C)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC 409066805 COQMVZNEOSBEEW-VULFUBBASA-N 447.413 5.199 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1C 409114067 IMBKMKWKCPHXEN-RPPGKUMJSA-N 430.430 6.084 30 40 IKEB CCOc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 409199099 BKLDYGWTAACCKT-WPWMEQJKSA-N 426.472 6.476 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(O)C#Cc2ccccc2)C1 2049243853 AXNNSHMUJUSTKY-QNQHKOGCSA-N 434.620 5.744 30 40 IKEB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1C#N 1186125 DYWJKEXIFYRURG-IWIPYMOSSA-N 437.499 5.342 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C2\C(=O)Nc3ccccc32)C(=O)N1c1ccccc1C 1750592 FOZMYJZSCDZMOL-IJODWYDQSA-N 425.513 5.434 30 40 IKEB CCN(CC)C(=O)c1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C#N)c1C 2734229 JNWNCZKUZXXNKH-UHFFFAOYSA-N 445.544 5.287 30 40 IKEB O=C(Nc1cc(Cl)c(/N=C/c2ccc(Br)cc2)cc1Cl)c1ccccc1 3068145 ZCWFRTDMJWXLKF-WYMPLXKRSA-N 448.147 6.759 30 40 IKEB C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)nnc1C1CCCCC1 3405696 DZSXXWFCWIZJHL-UHFFFAOYSA-N 449.502 5.059 30 40 IKEB Brc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 3961011 KGCMVMOWRIKSQC-BUVRLJJBSA-N 434.362 6.686 30 40 IKEB CCOc1ccc2nc3sc(C(=O)Nc4sc5c(c4C#N)CCCC5)c(N)c3cc2c1 6134262 USDKUDZYCXPHNL-UHFFFAOYSA-N 448.573 5.495 30 40 IKEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1cccc2ccccc12 8385146 SIDJDATZBYQNHC-MCMRFMRISA-N 431.561 5.437 30 40 IKEB CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 8440877 QMJRWRUJGMKUMR-QHCPKHFHSA-N 431.488 5.155 30 40 IKEB N#CCN(C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1 9466916 ZLPNTDWTWVILHP-UHFFFAOYSA-N 436.587 5.516 30 40 IKEB COc1cc(/C=N/Nc2ccc(Br)cc2)ccc1OCc1ccccc1C#N 15008842 FJEXZUWFVLGWPA-AFUMVMLFSA-N 436.309 5.354 30 40 IKEB O=C(Cn1cc(/C=C2/Sc3ccccc3C2=O)c2ccccc21)Nc1ccc(F)cc1 15230451 NHFOAOTXEVMVEZ-YDZHTSKRSA-N 428.488 5.749 30 40 IKEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)o2)c1 16194125 YLAFORKVHYADGE-UNOMPAQXSA-N 438.892 5.278 30 40 IKEB N=C(Nc1cccc2ccccc12)SCCS/C(N)=N/c1cccc2ccccc12 17289778 KJGQCICIYQFVRU-UHFFFAOYSA-N 430.602 6.452 30 40 IKEB Cc1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 19855719 ABOQMSGOLHPIJI-VFCFBJKWSA-N 440.568 6.141 30 40 IKEB Cc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c2c3c(sc2n1)CCC3 23406856 GHEGYPGDGBTVON-CYBMUJFWSA-N 440.569 5.055 30 40 IKEB CCOc1cc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC(C)C)C2=O)ccc1O 59398477 CCIADQUOKKTSCR-FQUZHOSTSA-N 426.538 5.060 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 100058912 KJGSPWJKVJURLX-NRFANRHFSA-N 426.601 7.097 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(I)cc2)S/C1=N/c1ccccc1 100062701 WHFMYQWZAVJVBL-ZFAMVZCKSA-N 446.313 5.081 30 40 IKEB Clc1ccc(/C=N\c2ccc(Oc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 101705350 ZFQPOMJPQNFCKO-QCOHSWCKSA-N 445.349 8.287 30 40 IKEB CCCCCCCCCCCCCCCCCCC/N=C/c1cc([N+](=O)[O-])ccc1O 102059539 WTTXFMRCAADCEA-SLEBQGDGSA-N 432.649 8.371 30 40 IKEB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C1 215683266 ZSIQWMODTAAERP-CHWSQXEVSA-N 439.528 5.297 30 40 IKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 409047164 NEZPFDZNBWNMQZ-BHGWPJFGSA-N 435.694 6.885 30 40 IKEB COc1cccc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1O[C@H](C)C(=O)O 409248803 QWDOHUHRNHPTQS-PVLQNKMRSA-N 425.868 5.743 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OC(C)C 409317091 NYAVNEKOCHHLDE-UHFFFAOYSA-N 442.357 5.171 30 40 IKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1O 815819 ZUFFGJVOIPXCQQ-XHCCPWGMSA-N 426.516 5.689 30 40 IKEB O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1 8782025 SEPAHOILTXRJPS-IAGONARPSA-N 435.292 6.380 30 40 IKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2nccs2)n1 8843587 GYLIGCPBEYGJTO-UHFFFAOYSA-N 428.505 5.237 30 40 IKEB C#CCn1c(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1-c1ccccc1 8857051 RDHHCCTZXIZXHW-UHFFFAOYSA-N 448.513 7.161 30 40 IKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1Cl 16268166 AZQHCAVBKVTHQL-SFHVURJKSA-N 429.734 6.863 30 40 IKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)c1 27520684 KEOXEUXONYSXGV-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB N#Cc1c(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)sc2c1CCCC2 33000074 RLKNCKNRMYVAGU-UHFFFAOYSA-N 426.929 5.163 30 40 IKEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(SC(F)(F)F)cc1 40088403 NGEGTHFIGDJQOJ-UHFFFAOYSA-N 429.423 5.918 30 40 IKEB CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71784709 WVXXEBLHRGPWQV-JLHUMHFKSA-N 446.635 6.498 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccccc3Br)c(C)c2s1 72228599 FVXAYWWMLCJBSD-UHFFFAOYSA-N 431.359 5.736 30 40 IKEB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N/c1ccccc1 100233603 XMTUERJUKQHQAP-RWBSCQHUSA-N 445.588 6.117 30 40 IKEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccc(Cl)c(Cl)c1 100527711 XJSRPZJVDRIRBZ-JJIBRWJFSA-N 430.320 5.308 30 40 IKEB CCCCCCCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 100910984 XIJNPKLCLCFNPU-UHFFFAOYSA-N 439.599 8.128 30 40 IKEB CCCCCCCC/C=N\Nc1nnc(N/N=C\CCCCCCCC)c2ccccc12 104079187 RNLYBJDCOBJTGK-ZDSKVHJSSA-N 438.664 7.926 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408672500 NIEAWFKIXQABRJ-WNLYKICVSA-N 438.612 6.082 30 40 IKEB N#Cc1c(/N=C/c2ccc(O)c(Br)c2)oc(-c2ccccc2)c1-c1ccccc1 408723189 ONQYKVYQELTWLT-JFLMPSFJSA-N 443.300 6.704 30 40 IKEB C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC 408900709 ZYFNSSYLDDZEMR-UHFFFAOYSA-N 428.912 5.432 30 40 IKEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccc(F)cc1 409310465 VCNDFORMJAMBDH-UHFFFAOYSA-N 428.305 5.228 30 40 IKEB C=C(C)Cn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3 2206218 JZKAWKJBNZLLGL-UHFFFAOYSA-N 444.625 6.135 30 40 IKEB COc1ccc(C2=C(/C=N/c3ccccc3)[C@H](c3ccccc3)c3ccccc3O2)cc1OC 2291319 XWCCEOZZKMECFI-NQFKHPPRSA-N 447.534 7.042 30 40 IKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1O 3116158 FYBGKTNWTKNJOI-DHRITJCHSA-N 425.400 5.718 30 40 IKEB CCOc1ccc2oc(C(=O)N3/C(=N/[C@H]4CCCC[C@@H]4C)SCC3(C)C)c(C)c2c1 3287811 PQJDUCOVWJQBMP-HQIBMZJNSA-N 428.598 6.042 30 40 IKEB CC1(C)OC(c2ccccc2)=C/C(=C/C=C/C(=O)/C=C(\c2ccccc2)N2CCOCC2)O1 6232610 SFPHJERGACFUPE-MLRPQVAMSA-N 443.543 5.193 30 40 IKEB C/C(=N/Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccc(Br)cc1 9171398 DSZIDZAQTISCFC-VYYCAZPPSA-N 435.300 6.035 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OC)c3OC(F)F)c12 12681212 RNWBLEPZCCOALG-OUKQBFOZSA-N 437.446 5.290 30 40 IKEB C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1OCC 12865705 WMMRJZMTMJQSQJ-SOFGYWHQSA-N 433.298 5.023 30 40 IKEB COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccccc3C(F)(F)F)cs2)cc1 12865967 XQUHFQTYXMWJDS-KPKJPENVSA-N 446.450 5.751 30 40 IKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c(OC)c1 13592296 BRBXTEDIMJPHRJ-VWLOTQADSA-N 446.547 5.257 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O 14257288 YASOULSQRVOPLY-DBPHPPTCSA-N 430.957 5.704 30 40 IKEB N#Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 14270098 LFBSKEYBDQKQQX-SOFGYWHQSA-N 442.327 5.651 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc34)NC2=O)ccc1OCC#N 15931071 CTBREISQLLCNPM-PXLXIMEGSA-N 429.501 5.032 30 40 IKEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1 16400365 QPSNZUWFJPUUOP-OXUBWTJQSA-N 448.307 5.400 30 40 IKEB COc1cccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)c1O 30753634 UXMMXGQLBIVVGJ-INCSMEFSSA-N 430.529 5.074 30 40 IKEB CCCCCCCC[C@@H]1S[C@H]1CCCCCCCC(=O)OCCOCCOCC 100300084 MMBZAEHFMQEQSE-GOTSBHOMSA-N 430.695 6.548 30 40 IKEB Clc1cc(Cl)c(OCc2ccccc2)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 100384170 BUAIDGVVGXAZFS-JVWAILMASA-N 441.358 6.160 30 40 IKEB C=C(C)C/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(N(CC)CC)cc1 103460802 NMUIGYDLTSKBFA-WCUYERGVSA-N 449.580 5.330 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCC[C@H]1C1CCCCC1 104254090 JIKPIFVOTIEWIG-URLMMPGGSA-N 448.776 9.930 30 40 IKEB Cc1cccc(/C=N/n2c(-c3ccc(OC(F)F)cc3)cs/c2=N/C2CCCCC2)c1 105761878 FZFFVDCXWRCREZ-KVMHMJQLSA-N 441.547 6.242 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S/C1=N\c1ccccc1 208196096 VGJLOFOGXZMALQ-NBGJGOCSSA-N 433.621 6.423 30 40 IKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 224738243 ZDQPTSDEKGVZCD-UHFFFAOYSA-N 428.351 5.497 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O 257534102 RPPYCVULPFKBOG-QMUGSQQSSA-N 440.712 8.285 30 40 IKEB biogenic CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C(=O)N1CC 408929695 MQOLQBYXOKVHID-SGFRRPFJSA-N 448.947 5.379 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccc(N(C)C)cc1 409014182 GDJIKWZWWQJNBV-YOIRLTMBSA-N 442.544 5.508 30 40 IKEB C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1OC 409088008 DLFMWRNVOSAQMI-VLYZUMCXSA-N 440.952 5.375 30 40 IKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O 409209160 HKLVMSNOZVCTNK-UHFFFAOYSA-N 442.397 5.765 30 40 IKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(C)s2)cc1C(C)C 409278281 CKKIHVZDPROYBL-UHFFFAOYSA-N 445.588 6.146 30 40 IKEB C#CCOc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(Cl)cc1OC 409280540 KFZBRQZWVKGUBM-UHFFFAOYSA-N 449.938 5.000 30 40 IKEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c1 409347693 QSOWNIFVACKYOF-KGENOOAVSA-N 436.533 5.050 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)COC(=O)c1ccccc1 504153359 RSZHYTMCURJIHZ-VWPJXBASSA-N 434.576 5.561 30 40 IKEB CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 709666 PNBMOJTYKBKKSI-WINIVTDRSA-N 426.516 5.770 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 1077006 QEBMURGLDOWRRC-PSLXWICFSA-N 441.383 7.034 30 40 IKEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/C1=C(C)CCCC1(C)C)[N+](C)(C)CC3)OCO2 1280114 OKLOMNFMQPFSRB-LCCNJJIFSA-N 426.577 5.140 30 40 IKEB biogenic C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(OC)cc1 2444439 LLFFGYWZILMYNO-UHFFFAOYSA-N 436.581 5.168 30 40 IKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4cc(C)ccc4s3)cc2)c1 3113030 UVKBLMZBHLJRFO-WYMPLXKRSA-N 437.362 6.799 30 40 IKEB C[C@@H](/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 4108364 IBIGNXGUBHLRGR-SYHVYMAQSA-N 449.645 6.423 30 40 IKEB CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2ccsc2)c1C#N 8448668 KKTNITICRNXFAP-UHFFFAOYSA-N 428.560 5.025 30 40 IKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8820938 DCYFIYKQEWYGRX-VCHYOVAHSA-N 449.746 6.798 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1cccs1 9046547 MESAEETYMXDSTI-GOSISDBHSA-N 436.489 5.280 30 40 IKEB N#Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(F)c1 9190297 AWXZTHIHOOJRNR-UHFFFAOYSA-N 426.234 6.065 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O 9295715 STRXTFGYIJVORX-XKZIYDEJSA-N 446.915 6.032 30 40 IKEB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 12545433 PLPHQZUDGGMOMQ-LLVKDONJSA-N 443.878 5.370 30 40 IKEB C[C@@H](c1ccccc1)N1C(=S)N/C(=N\[C@@H](COc2ccccc2)C(C)(C)C)C12CCCC2 15162216 IYPSBYONHMKVCN-REWPJTCUSA-N 449.664 6.143 30 40 IKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 16431017 BUTAKHKIVPCEAZ-OAHLVZFQSA-N 438.739 6.300 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cc(Br)ccc2F)c2ccccc21 18180988 QVMHTKLJLLFRFP-JOCHJYFZSA-N 438.321 6.455 30 40 IKEB COc1ccc(CN/N=C/c2c(C)n(Cc3cccc(Cl)c3)c3ccccc23)cc1OC 20196633 HNLOMDXFDGJCTC-MUFRIFMGSA-N 447.966 5.792 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@H](O)C[C@H]5O)[C@@H]12 95911669 SWEUJTWPRYKNNX-DZEONHSJSA-N 442.728 6.996 30 40 IKEB biogenic,in-vitro CCOc1ccc(/N=C2/S/C(=C\c3cc(Cl)cc(Cl)c3O)C(=O)N2CC)cc1 100259646 ZEWMQOOSMCAZQP-PQUPTFKKSA-N 437.348 5.722 30 40 IKEB COc1cc(Br)c(Br)c(/C=N/c2ccc3ccccc3c2)c1O 102436459 HAGNHINXYCWZFP-UFFVCSGVSA-N 435.115 5.830 30 40 IKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)c1ccc(OC)cc1 107938026 GBQPFUCDCAVHCB-UHFFFAOYSA-N 437.565 5.150 30 40 IKEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c1 214972726 DETBYTXDZNWYDR-LDADJPATSA-N 430.323 5.250 30 40 IKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C#N 225767066 NZHIMACTIWXMRX-UHFFFAOYSA-N 431.363 6.493 30 40 IKEB Cc1ccc(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)c(Br)c1 226362596 ZVIQPUXIIILBCH-DHZHZOJOSA-N 431.289 6.198 30 40 IKEB C=CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(F)cc1 408595134 KOYHGKMYEUDFHR-UHFFFAOYSA-N 448.523 5.066 30 40 IKEB C=CCOc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 408736659 ZHWYIEDQCXVINB-LQWHRVPQSA-N 429.301 5.683 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4cccc(Cl)c4)cc3)S2)cc1 408766984 UPTDZZYUTPUYSM-BKUYFWCQSA-N 448.931 5.759 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2Cc2ccccc2)cc1 408911138 JAGDLISUVCINPU-QMSJJHEMSA-N 445.500 5.413 30 40 IKEB CCOc1ccc(-c2ccc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)o2)cc1 409286423 WEKAYQNJYVFWIH-UHFFFAOYSA-N 441.531 5.985 30 40 IKEB CC[C@H](C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 409404973 RSKPMQDBCJPZMB-SFHVURJKSA-N 427.504 5.132 30 40 IKEB Cc1cc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@H]2c2csc(-c3ccccc3)n2)cc1C 945295 NFMZZNWEHXESRO-UIOOFZCWSA-N 441.552 6.329 30 40 IKEB CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(-c3ccccc3)c2C1 2056356 MHNQMMPRWOGUCP-FQEVSTJZSA-N 447.047 7.717 30 40 IKEB N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2631536 GVCDIOONOCMIFH-UHFFFAOYSA-N 441.874 5.222 30 40 IKEB O=C(Oc1ccc2ccccc2c1/C=N/c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 3195092 WXLWHBQZNDUZKX-RDRPBHBLSA-N 446.462 6.871 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc2sc(CC)cc2c1=O 3446734 DRNNYEBOIPDFSD-UHFFFAOYSA-N 435.574 5.090 30 40 IKEB C=CCSC1=N[C@@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 3671903 NYARXXACJSSEKL-UZUQRXQVSA-N 428.985 5.703 30 40 IKEB C#CCOc1cccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)c1 6463060 PKDBUMFGQCFBJW-UHFFFAOYSA-N 431.576 5.404 30 40 IKEB Cc1ccccc1Nc1nc(N/N=C/c2ccccc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 8872721 JFVONQYVEFVXLQ-BUVRLJJBSA-N 440.467 5.021 30 40 IKEB Cc1ccc(N/C=C2/S/C(=N\c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1Cl 8927949 RYOWGNWBHJOJCO-RIUOVIGVSA-N 425.863 5.813 30 40 IKEB COc1ccc(/C=C/C(=O)c2cccs2)cc1Cn1nc(C)c(Br)c1C 8951304 RSVSSLWPCYJYAK-SOFGYWHQSA-N 431.355 5.277 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4cccc(Cl)c4)ccc3C1=O)cn2C 8990578 XQEXOSRIRMDEBW-OPEKNORGSA-N 445.902 6.036 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(Cl)c1 9480259 DEWONTJQEKMILB-UHFFFAOYSA-N 441.000 5.813 30 40 IKEB COc1ccccc1[C@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 19643790 LYBMJVAFISFUSN-IBVKSMDESA-N 445.559 5.256 30 40 IKEB CCN(CC)C(=O)c1sc(NC(=O)CC(c2ccccc2)c2ccccc2)c(C#N)c1C 19643906 ZZWSNYQDLLAXTP-UHFFFAOYSA-N 445.588 5.571 30 40 IKEB Cc1cc(C)cc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 20345344 VAJSXTWRMFMWNY-MHZLTWQESA-N 441.531 5.515 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1 26796267 VWXTVVQQICHXTF-UHFFFAOYSA-N 427.554 5.763 30 40 IKEB C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1ccc2ccccc2c1 33395553 BYBWEFGYDAXGQI-IMRQLAEWSA-N 431.503 5.958 30 40 IKEB Nc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)cn1 68568560 KTMOUHFWZYLLQT-UHFFFAOYSA-N 428.604 5.128 30 40 IKEB biogenic CCCCCCCNC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12 97953929 DTDLDPIBJMXCEJ-UHFFFAOYSA-N 445.567 5.255 30 40 IKEB CCCCCCCCOCC12CO[C@@H](c3ccc(F)cc3)N1[C@H](c1ccc(F)cc1)OC2 103678688 CVIAQUAIMWJTQD-DQEYMECFSA-N 445.550 6.141 30 40 IKEB C=C(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253534230 XTCFYHGQQPCUJI-YPJAPOCRSA-N 444.744 7.386 30 40 IKEB biogenic,in-vitro Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(I)cc1 408771144 DKFXMEFSOQGJLG-MTJSOVHGSA-N 445.260 5.358 30 40 IKEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3cc(Cl)cc(Cl)c3)o2)cc1C 408771566 HYAKLRFQYFDEDM-OPEKNORGSA-N 444.318 5.209 30 40 IKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)ccc1Cl 408941080 JQMQFGLSRNBZHB-OPEKNORGSA-N 445.302 5.636 30 40 IKEB COc1cc(/C=N\Nc2ccc3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 409012882 LHVPRVITIQRBRY-YUMHPJSZSA-N 440.503 5.015 30 40 IKEB COc1cc(C)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1C 409091169 PXOWBBJAEUPXLJ-IKQKJRAVSA-N 428.985 6.225 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1 409213329 SJVMGOAIVWVYNP-DHRITJCHSA-N 438.321 6.094 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 2562725 NVFBLCBUSIGTCH-WZTJOTNISA-N 444.637 5.681 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1 2729625 RTCHOQLYFPLBED-ZEHKLFRWSA-N 442.584 6.629 30 40 IKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCc3ccccc3)n2)cc1 8386258 MYLRRMCIZNUWJQ-UHFFFAOYSA-N 426.972 7.541 30 40 IKEB CCCC/N=C1\S/C(=C\c2ccccc2OCc2ccc(C)cc2)C(=O)N1CCCC 8821659 IZKUGANWQBTSIT-DZNDYGJHSA-N 436.621 6.447 30 40 IKEB C=CCOc1ccc(C(=O)Oc2cc(-c3ccc(OC)cc3)c3oc(=O)sc3c2)cc1 9430711 BMGIIAJHHAHCHM-UHFFFAOYSA-N 434.469 5.314 30 40 IKEB Cc1ccsc1/C=C1\C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@H]1c1ccccc1 12955559 HKTBNOQEZATRBJ-GJISQHIDSA-N 442.967 7.914 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1cccc(Cl)c1 13805723 LIROWGCGBPQLRG-INIZCTEOSA-N 441.000 6.029 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)c2C#N)C1 17102956 BXKDYKRYQRDGRQ-OAHLLOKOSA-N 438.980 6.936 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c2ccccc21 20648434 KNZBUASZAPIDPL-LGJNPRDNSA-N 446.591 6.097 30 40 IKEB O=c1oc2ccccc2c(NC2CCCC2)c1N/C(O)=N/c1ccccc1C(F)(F)F 28048879 PDTOPJUDDDVYQR-UHFFFAOYSA-N 431.414 5.824 30 40 IKEB C#CCOc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 35088766 DZXBZFNNQIFWEJ-ZEHKLFRWSA-N 438.552 6.124 30 40 IKEB C/C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 59500251 HJPXHSNWFPACKZ-MUFRIFMGSA-N 440.467 5.103 30 40 IKEB C=CCc1cc(C(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)ccc1OC 72390672 IDKZOWCHSXFNSL-XMMPIXPASA-N 442.563 5.260 30 40 IKEB O=C1C(=O)N(c2cccc(Br)c2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 101104140 RTKMTWAHZZSDBE-NHFXJNLRSA-N 434.289 5.075 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 102882429 JXSVYLLCVNFEBG-OBVHCKHUSA-N 444.512 5.441 30 40 IKEB COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OC)C2=C1CC(C)(C)CC2=O 408899850 WGUFFTBZXYDWNL-UHFFFAOYSA-N 437.580 5.027 30 40 IKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c1C 408961024 PVVPZIBXXSMKKS-ZCTHSVRISA-N 432.567 8.129 30 40 IKEB Brc1cccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)c1 408975039 IXSRMGFVCVRJQF-FOKLQQMPSA-N 434.249 6.256 30 40 IKEB Fc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409199464 CXSSVSGOXYVRFI-UZWMFBFFSA-N 447.509 8.101 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 409210407 JOTHCWICBGSFEU-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 409215754 FAIDLDNKGUABQV-CVKSISIWSA-N 438.365 6.794 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)c(F)c2)S/C1=N/c1ccc(OC)cc1 409231853 LAOVZDPGJUGOQI-CWFNPDHMSA-N 439.556 5.449 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1C1CCCCC1 409284232 UQXHTEFUXPJNOX-UHFFFAOYSA-N 430.596 6.250 30 40 IKEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1C 409324625 ULXFUDPLGGIQQW-OEAKJJBVSA-N 431.513 5.351 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCC 409346697 OEFGCERMDNRXLB-QNGOZBTKSA-N 439.602 5.927 30 40 IKEB CC(=O)Nc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409377884 LYRAHYZYFABNLS-LGJNPRDNSA-N 439.874 5.206 30 40 IKEB N#Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccccc5)cc4C3=O)cc2)cc1 725807 PXJNYHVYFWUKCL-UHFFFAOYSA-N 444.446 5.382 30 40 IKEB CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(C)=O 1441113 PEDBJMZWQJGIIB-HHHXNRCGSA-N 427.500 5.837 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 2444756 BYDIPKQVEHVZHB-UHFFFAOYSA-N 438.572 5.607 30 40 IKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1C 2626039 ACWBFFLIWKLSTI-UHFFFAOYSA-N 447.539 5.048 30 40 IKEB CC1(C)CC(=O)C(c2cc(-c3ccccc3)n(-c3ccccc3N)c2-c2ccccc2)=C(O)C1 6061931 GRZFLWGVLFRBJB-UHFFFAOYSA-N 448.566 7.052 30 40 IKEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(SC)c2)c1 9822649 VXZWSQSGKXWGPY-UHFFFAOYSA-N 438.574 5.042 30 40 IKEB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc12 12621124 BCRAWWLKBYEBHZ-UHFFFAOYSA-N 432.574 5.850 30 40 IKEB N#Cc1ccccc1-c1ccccc1C(=O)NCCCCCc1nc(-c2cccs2)no1 12998551 FFLZUAIUFGDNPY-UHFFFAOYSA-N 442.544 5.480 30 40 IKEB COc1cccc(/C=C2\Sc3ccccc3C2=O)c1OCc1ccc(Cl)cc1Cl 13590713 BOLZBKPITIHMJR-NHDPSOOVSA-N 443.351 6.911 30 40 IKEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1)c1cc2ccccc2o1 13728493 UDMXQIUVWKMNJZ-QFIPXVFZSA-N 444.874 5.260 30 40 IKEB Cc1ccc2nc(-c3ccc(/N=C4\SCCCN4C(=O)C4CCCC4)cc3)sc2c1 15981854 RQAFYESHWVJJON-IZHYLOQSSA-N 435.618 6.415 30 40 IKEB COc1ccc(C(=O)/C=C/Nc2cccc(N/C=C/C(=O)c3ccc(OC)cc3)c2)cc1 16216109 XIROYRISFHYXKK-YXLFCKQPSA-N 428.488 5.321 30 40 IKEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 16737285 QDHOQDLLPRIKRU-FQEVSTJZSA-N 436.533 5.255 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1cc(Cl)ccc1C 17084969 UELOCFQDPDIFTQ-NWIBBQCFSA-N 427.957 5.103 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCCCOc3cccc(C)c3)cc2)SC1=S 26580588 DDODSLLZVIGQSE-PGMHBOJBSA-N 425.575 5.230 30 40 IKEB COc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1 28629181 MEVSHNUCCHKUCQ-IVCURSBOSA-N 446.528 5.521 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(Cl)c1 30738700 LDWJTYZMHKQKOY-YJOHERITSA-N 444.025 6.504 30 40 IKEB COc1ccc(/N=C2\[C@@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)cc1 33435830 BLELGNIPSPWMPO-CZSVHLHGSA-N 431.580 5.577 30 40 IKEB COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc2c(c1)CCC2 33656551 RYMBHTOVCQXSJZ-SXZIKPQKSA-N 426.969 5.469 30 40 IKEB CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 36533699 ZXQYGBMAQZUVMI-VZGXFZGHSA-N 449.856 6.544 30 40 IKEB in-vitro Cc1cc(C)c2c(c1)/C(=N/Nc1nc(-c3ccccc3)c3cc(Cl)ccc3n1)C(=O)N2 46085383 GFTZFNXVXSDYRN-UHFFFAOYSA-N 427.895 5.335 30 40 IKEB CC(=O)Nc1ccc(C(C2=C(O)CC(C)(C)CC2=O)C2=C(O)CC(C)(C)CC2=O)cc1 100930737 OZQCYCOLJRBSAD-UHFFFAOYSA-N 425.525 5.131 30 40 IKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1I 408738149 QRWYQJVWNLGCED-FSJBWODESA-N 448.735 6.411 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 408810591 KAJZHJRFZCHEOS-JLPGSUDCSA-N 445.515 6.374 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1cccc(Cl)c1 408875387 FEZFXSGRGOFPQK-JAIQZWGSSA-N 425.916 5.778 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)ccc1OCC(C)C 408910616 HEOFGNYBXLIKLK-HUOZHCEOSA-N 438.593 5.916 30 40 IKEB O=C(O)c1cccc(COc2ccc(/C=N\Nc3ccc(C(F)(F)F)cc3)cc2Cl)c1 408932809 ZICINHXWARZWMT-PPDIBHTLSA-N 448.828 6.082 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl 408935911 FDDKXLPPMMWZPV-UQIUYHSWSA-N 428.963 7.316 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccccc1F 409210075 KTWLQXZMQWVLNB-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C#N)cc1 409216614 JYBFJCASFRQBNO-SRZZPIQSSA-N 433.920 5.860 30 40 IKEB CCCC(CCC)=N/N=C1/N=C(O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 634348 XXBBKRHBISCKSK-HNNXBMFYSA-N 429.373 5.706 30 40 IKEB C=C(C)Cn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 856384 NPZNDXRSJVYKQB-UHFFFAOYSA-N 435.593 5.802 30 40 IKEB CC(=O)Nc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc23)cc1 2299767 RVNBRYXOGRKJOT-LQKURTRISA-N 437.499 5.815 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc(C(F)(F)F)c1 2633831 ZMICPOIWOBFVNC-UHFFFAOYSA-N 438.401 5.756 30 40 IKEB CCN/C(S)=N\N=C\c1ccc(OCc2c(Cl)ccc(Cl)c2Cl)c(OC)c1 6132089 PASQXNYMKAZVPV-NUGSKGIGSA-N 446.787 5.464 30 40 IKEB C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)cc1 8743590 SUUOKAQVXPRLDV-BJUXRVGASA-N 434.348 5.140 30 40 IKEB Clc1cc(Cl)c(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 8989951 FGACDBQRUPESHX-LSFURLLWSA-N 444.543 7.115 30 40 IKEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 12571375 LHLGKEFLZGLRSA-RWPZCVJISA-N 431.889 6.831 30 40 IKEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1Br 14008619 HIUSDHPZIPAHDY-GZTJUZNOSA-N 433.302 5.045 30 40 IKEB COCc1cc(C)nc(N/N=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1C#N 16267788 MRJYEMLNNMJFNB-NCAUGAEKSA-N 448.832 5.786 30 40 IKEB CCCC(=O)C1=C(c2ccc(Cl)c(Cl)c2)N(C(=O)CCC)n2c(C)nnc2S1 27028833 MODQDSJPETWZEA-UHFFFAOYSA-N 439.368 5.002 30 40 IKEB Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 59105704 YSNMKKWOURIHEJ-NDENLUEZSA-N 436.468 5.033 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3c(C)cc(C)cc3Cl)c(C)c2s1 72228854 IUWCTRGFIZDLGQ-UHFFFAOYSA-N 444.988 6.009 30 40 IKEB C[C@@H](NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2)cc1)c1ccccc1 100093527 MXKVYUBQYKKLMX-WZJLVRHISA-N 437.337 5.456 30 40 IKEB O=C(/C=C/Nc1ccc(Cl)cc1F)c1ccc(OCc2c(F)cccc2Cl)cc1 100418345 IAXGGQMDCTZXJU-ZHACJKMWSA-N 434.269 6.659 30 40 IKEB CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCCOCCO 100925798 SLTCKGFTWOJIAQ-UHFFFAOYSA-N 430.738 6.350 30 40 IKEB CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2/C(=N/O)c2ccccc2)cc1 100930315 RWAHGZCXVIGHCG-OCOZRVBESA-N 438.549 5.283 30 40 IKEB O=C(/C=C1\Nc2ccc([N+](=O)[O-])cc2N\C1=C/C(=O)c1ccc(F)cc1)c1ccc(F)cc1 100959335 RHYBGKOYQMEOQJ-HDSGJDLKSA-N 447.397 5.244 30 40 IKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O 102417291 USXUFXFHCDCRAD-ZMOGYAJESA-N 431.404 5.058 30 40 IKEB O=C(/C=C1\Nc2ccc([N+](=O)[O-])cc2N\C1=C/C(=O)c1ccc(Cl)cc1)c1ccccc1 104315942 JLROVADVPPVTIW-JZTLMNBPSA-N 445.862 5.619 30 40 IKEB C(=NN(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 256081030 KFOSRSKYBBSDSK-UHFFFAOYSA-N 439.562 8.329 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)SC1=S 408724363 DAAFNEGQBKGRRF-YCBMQGOFSA-N 431.542 6.348 30 40 IKEB COc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)c1 408759892 NNJUXRGBQBMEJJ-YVLHZVERSA-N 431.355 5.275 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c(OC)c1 408906137 HOOXXWLAVYPLOR-HKPGFAEHSA-N 444.556 6.069 30 40 IKEB Cc1ccc(Sc2oc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2Br)cc1 408911616 OFOQRVAJJPJAHO-KEBDBYFISA-N 433.287 5.251 30 40 IKEB COc1ccc(/N=C/c2cc(Br)c(I)o2)cc1Cl 408949302 ARMBPIMGRWSSLJ-OMCISZLKSA-N 440.462 5.059 30 40 IKEB Cc1ccc(-c2nc(N/N=C/c3ccc4c(c3)OCO4)sc2-c2ccccc2)cc1C 408974365 FIFRAKAVEUNJDV-VULFUBBASA-N 427.529 6.269 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409088080 FAFYUHKKPYZIPR-UNOMPAQXSA-N 434.835 5.172 30 40 IKEB O=[N+]([O-])c1cccc(Cn2cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c3ccccc32)c1 409094088 CSELZCRJRPBQTM-LUOAPIJWSA-N 439.397 5.458 30 40 IKEB C=CCN1C(=O)S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O 409097924 OWTSDTHAYAQUHO-HYARGMPZSA-N 435.932 6.295 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(C)c1 409208943 AYCRTAVSZFABCI-DHRITJCHSA-N 438.321 6.094 30 40 IKEB Clc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 409216434 LCJRTSYXDZGYSU-STBIYBPSSA-N 448.349 8.115 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409217860 XRHXLNVCEWWBJJ-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S1 409250302 QLAMZSFSNFIOMV-HYARGMPZSA-N 434.948 6.119 30 40 IKEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccn1-c1ccccc1 1531095954 JNHGHCQFKAMVHX-MYYYXRDXSA-N 449.352 5.129 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 1531385558 NDSZYXOQRRJUFX-WGOQTCKBSA-N 436.427 5.114 30 40 IKEB C=C(C)[C@@H]1C[C@@H]2c3ccc(OC)cc3CCC[C@@H]2O[C@@H]1c1cccc(F)c1OCC(=O)O 2037879093 REZRUYFQDRSAET-PLRSXRBSSA-N 440.511 5.440 30 40 IKEB CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCC 8386490 OMQXJSWEEKPJGU-VWLOTQADSA-N 447.660 6.464 30 40 IKEB CCOC(=O)c1ccc(N2C(=S)N/C(=N\c3c(C)cccc3C)C23CCCCC3)cc1 8444333 DWVADWLNBOKHAM-UHFFFAOYSA-N 435.593 5.608 30 40 IKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 9419348 BAXMYSXAAMYRBC-JMIUGGIZSA-N 447.295 5.377 30 40 IKEB CCOC(=O)/C(C)=N/Nc1ccc([C@@](C#N)(C(=O)c2ccc(C)cc2)c2ccccc2)cc1 11692143 PQZLOSWXTOLCFC-JMZGHDDKSA-N 439.515 5.039 30 40 IKEB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 12545434 PLPHQZUDGGMOMQ-NSHDSACASA-N 443.878 5.370 30 40 IKEB C=CCn1c(SCc2nc(-c3ccco3)no2)nc2cc(-c3ccccc3)sc2c1=O 12753980 QBNUWZDXZXOYFU-UHFFFAOYSA-N 448.529 5.246 30 40 IKEB C=CCn1c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)nnc1C1CCCCC1 13028383 VIMDWTMXQPRABY-HXUWFJFHSA-N 442.629 5.084 30 40 IKEB O=C(Nc1cccc2ccccc12)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCC2 15946419 KCAQPYHZYTULAT-LQKURTRISA-N 428.532 6.922 30 40 IKEB Oc1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)cs1 17060929 ZSQVWGNKELPHOV-UFWORHAWSA-N 438.144 5.791 30 40 IKEB Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3cc(F)ccc3S2(=O)=O)cc1 32984338 KXVHLUCHUJYDQF-UHFFFAOYSA-N 435.520 5.907 30 40 IKEB CC(C)(C)C(=O)[C@H]1[C@H](c2cccc3ccccc23)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366029 SDLIEYULIJAVBE-NXCFDTQHSA-N 431.539 5.982 30 40 IKEB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 40894335 XQIVDOSRZQSWFL-QKMNFNRLSA-N 438.696 7.556 30 40 IKEB biogenic,in-vitro CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@H]2c1ccc(F)c(F)c1 44858946 VBPPTAHUTKQBRZ-QFIPXVFZSA-N 448.473 5.072 30 40 IKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/NC1=NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 100491742 XGBYPXJUPDRINW-RKKOEMBASA-N 432.387 5.211 30 40 IKEB CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)CCCCCCCCCCC 100503774 HHGLCKLXHVTCRU-DURLKXOLSA-N 448.776 10.264 30 40 IKEB Cc1ccc2c(c1)S/C(=C1/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C1=O)S2 118916141 YMDSWPZYGHRYGY-FRDKWLLCSA-N 438.702 8.016 30 40 IKEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)c2ccccc12 225921321 VTUKALQEMOTHLN-UHFFFAOYSA-N 433.504 5.104 30 40 IKEB CO/N=C(/C)[C@@H]1/C(=N/OC)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 257198393 KLCZPBNZZJGNRW-VMQKZANSSA-N 432.605 5.212 30 40 IKEB CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)C2CCN3CC2)cc1Br 408603545 RQXLMJJPNYSSIG-MYKKPKGFSA-N 444.398 5.865 30 40 IKEB CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408863755 PTEAAEXKSGLLBC-LSDFYIEESA-N 438.568 6.551 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 409101738 QXPTYLJKFWISGL-AUEPDCJTSA-N 447.398 5.680 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2F)c1 409406324 XICFWOAOIZUGHU-UHFFFAOYSA-N 449.485 5.664 30 40 IKEB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc4c(c2)OCO4)C3)s1 676838 HTMLOCJJKALHQD-CPJLOUKISA-N 430.529 5.765 30 40 IKEB Cc1cc(C)c(C#N)c(SCc2ccc(CSc3nc(C)cc(C)c3C#N)cc2)n1 1806456 RVSDTHBAJUQBHF-UHFFFAOYSA-N 430.602 6.038 30 40 IKEB CC(=O)/C(=N\Nc1ccc(C)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 1889276 OUNDRYKKCDOETG-SLEBQGDGSA-N 427.533 5.349 30 40 IKEB N#Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Sc1ccc(Cl)cc1 3104501 YWYVJCBHACKGGF-UHFFFAOYSA-N 433.747 6.922 30 40 IKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1 8820923 DZKYQKYWUIFBER-PXLXIMEGSA-N 436.964 6.834 30 40 IKEB CCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 9424823 FFUJAZBXOGCWLY-WCQPBMKCSA-N 431.561 5.483 30 40 IKEB Cc1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(Cl)c1 14360691 CRJWSPAPLVFPJS-UHFFFAOYSA-N 436.920 5.467 30 40 IKEB CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C#N)c3)nc3ccccc32)cc1 14360826 CXDCFVVJCDOFSQ-UHFFFAOYSA-N 428.517 5.027 30 40 IKEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/S/C(=N\c4ccccc4)NC3=O)o2)c1 15018566 YLAFORKVHYADGE-XDHOZWIPSA-N 438.892 5.278 30 40 IKEB C=C(C/C=C(\C)CCC=C(C)C)C(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C 20111724 XHSRFCRGSWRBSP-VGPFOZRTSA-N 425.569 5.551 30 40 IKEB biogenic Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SCC(C)C)cc1C 32828895 ABLGNCLFNSDTPG-HXUWFJFHSA-N 425.579 5.033 30 40 IKEB N#CCCN(Cc1ccco1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 58214645 AOOFRMRPQAWUIK-CCEZHUSRSA-N 436.515 5.147 30 40 IKEB COc1cc(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)ccc1OCc1ccccc1 100384178 JWEPGWJYJPOEPF-WPWMEQJKSA-N 436.939 5.515 30 40 IKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 225767246 HHJMGGLMYBUXPZ-UHFFFAOYSA-N 431.363 6.493 30 40 IKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)c1 408739858 GFKWHOSMDKBLQR-BUVRLJJBSA-N 444.604 5.669 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1Cl 408783834 RONFLZQOSWJBFB-WOARFCOISA-N 448.975 6.543 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409211918 KSXCMHSMDDQCKR-ZVHZXABRSA-N 429.925 5.484 30 40 IKEB Cc1cccc(S/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1 715316 BOFUPXFEXBFWCH-LSDHQDQOSA-N 446.391 5.685 30 40 IKEB C=CC#CC(C)(C)c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1 1875500 FHYOTDSREMMDFW-UHFFFAOYSA-N 449.510 6.716 30 40 IKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F 2762219 GQGIMMCFOKBJSU-NYHFZMIOSA-N 425.525 5.202 30 40 IKEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1 5603783 QBJPUYTWPQBQQS-DEOSSOPVSA-N 427.548 5.780 30 40 IKEB O=C1/C(=C\c2cccc(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 8408069 BSOCMNASONXDMO-DBSKITMISA-N 449.373 6.253 30 40 IKEB COc1ccc(CNc2oc(-c3ccc(COc4ccc(OC)cc4)o3)nc2C#N)cc1 8654680 MKQGGNRWUFBIIL-UHFFFAOYSA-N 431.448 5.015 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 8743027 VTKNDFGKOGHPSS-SFHVURJKSA-N 447.249 5.212 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1C 8821001 XVWIHLLXRCFTGR-RGVLZGJSSA-N 443.355 6.762 30 40 IKEB N#Cc1cc(C(=O)c2cccs2)c(C(F)(F)F)nc1SCC(=O)c1ccccc1 9355628 YJHYWQIRYRHFFX-UHFFFAOYSA-N 432.448 5.240 30 40 IKEB C=CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc(C)c(C)c2c1=O 13688572 JKBIFFZXIWURDV-UHFFFAOYSA-N 445.418 5.604 30 40 IKEB C=CCc1ccccc1OCCOc1ccc(C)cc1/C=C1/N=C(c2ccccc2)OC1=O 13939999 HJGMVGQIIYVIKR-LYBHJNIJSA-N 439.511 5.526 30 40 IKEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nc(O)c32)c1 16960304 MAHQIFUZWWHCIF-HXUWFJFHSA-N 445.544 5.048 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1Cl 33354495 DKYGDUUPMLBHGU-UHFFFAOYSA-N 438.096 8.097 30 40 IKEB biogenic C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 245228661 BKFIBDWKIPCPQA-QQIAEXKYSA-N 441.597 5.755 30 40 IKEB Cc1ccc(N2N=C(/C([O])=C3/C=CCS3)SC2=C2C(=O)c3ccccc3C2=O)cc1 367966691 OJHICUHYPVDDED-UHFFFAOYSA-N 431.518 5.098 30 40 IKEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OCc1cccc2ccccc12 408892733 CQVIZDVHQHNJIA-VULFUBBASA-N 428.448 5.177 30 40 IKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccc2ncccc2c1 409016534 DEYHMSLXZMVEBD-NEAWXCLQSA-N 429.476 5.868 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)C1=O 409069049 ULPBBIUONVAIGE-XDHOZWIPSA-N 444.350 5.559 30 40 IKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)c(C)c1 409211397 NBFBIOXUHPTHJD-OEAKJJBVSA-N 444.350 5.584 30 40 IKEB CC[C@@H](C)Oc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 1531384517 IFYTUZGMMWGJOT-MOROIOLQSA-N 442.475 5.031 30 40 IKEB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccc3c(c2)OCO3)ccc1C#N 662212 FSWVFIPAKGNGJD-UHFFFAOYSA-N 437.908 5.042 30 40 IKEB N#Cc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)cc1C#N 844116 WSPWEOHQQSZEMX-UHFFFAOYSA-N 425.289 5.917 30 40 IKEB N#Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Sc1cccc(C(F)(F)F)c1 3104541 RHEOIIJZQZNZCB-UHFFFAOYSA-N 432.854 6.634 30 40 IKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SCCC(C)C)nc(=O)c32)o1 4150328 KNCPPOGHVALJQT-SFHVURJKSA-N 427.570 5.010 30 40 IKEB N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1 9307567 OCQPUSJBQPHUDZ-UHFFFAOYSA-N 437.355 6.405 30 40 IKEB COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc(OC)c1OC 9972235 VOONULXUNBRPOD-SGANQWHYSA-N 446.503 5.285 30 40 IKEB C/C(=N\Nc1ccccn1)c1ccc(OCCOc2ccc(Br)cc2)cc1 12524771 LEHNNMDXZDQSTK-LFVJCYFKSA-N 426.314 5.138 30 40 IKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)cc1 12546736 XMEQHWJGAIIOHA-UHFFFAOYSA-N 427.460 5.343 30 40 IKEB O=[N+]([O-])c1ccc(OCCCOc2ccccc2)c(/C=N/Nc2nc3ccccc3s2)c1 13898932 CIMPAWGZUMXNIW-LFVJCYFKSA-N 448.504 5.498 30 40 IKEB O=C(Oc1ccc(/C=N\c2ccc3c4c(cccc24)CC3)cc1)c1ccc(Cl)cc1Cl 16431653 QCNNTXCPIBWQKU-FDVSRXAVSA-N 446.333 7.215 30 40 IKEB Cc1cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c(O)c([N+](=O)[O-])c1 32115550 DYYKDOYNDFGPRZ-YCPBAFNGSA-N 443.793 6.099 30 40 IKEB CC(=O)Nc1s/c(=N\N=C/c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1 32623431 ZHJCNYGEUIMWPH-CIPAVPIUSA-N 426.545 5.407 30 40 IKEB C=C(C)CSc1nnc(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)s1 32674113 USWIRWXAGZFVBL-UHFFFAOYSA-N 448.664 5.948 30 40 IKEB CSc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)c1 32984264 QTQGWMLKESJHEE-UHFFFAOYSA-N 435.570 5.675 30 40 IKEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 83309954 UOEIEJCLHRAKSE-JAIQZWGSSA-N 442.371 6.293 30 40 IKEB CCCCc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 100384411 VQGBZYSUFRXWCL-RWPZCVJISA-N 430.350 7.805 30 40 IKEB CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1 104268361 OZSVSBMHEZAZTL-SANMLTNESA-N 433.677 7.067 30 40 IKEB Cc1ccc(COc2ccc([C@@H]3Nc4c(C#N)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408766846 STMMMMNJCDLAFM-USZFVNFHSA-N 437.499 6.180 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1OC 408877777 YMDBKASFOLPFOM-SHSCQTOKSA-N 440.540 5.780 30 40 IKEB CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OC)c(OCC)c2)C2=C1CCCC2=O 408927282 VTLSBICFCRJYEQ-UHFFFAOYSA-N 443.971 5.571 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)cc2)cc1 409099788 LQCFICXWOQBOKF-WSDLNYQXSA-N 427.254 5.914 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OC 409208542 GQSIIBYSAIVYSN-KEBDBYFISA-N 429.685 5.411 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 409213518 PNLOFEVYXVWKGX-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)cc(Br)c2OCC(=O)O)c1C 409215141 XHEXTXOFOYLFFV-DNTJNYDQSA-N 441.119 5.042 30 40 IKEB CCOc1cccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)c1 409298606 OYTQRJCHEHWTAC-UHFFFAOYSA-N 443.890 5.744 30 40 IKEB CCOC(=O)c1ccc(C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 2410646 NCQDISQJHZPPLB-FPEJUQHSSA-N 430.529 5.242 30 40 IKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 6444477 NRGKGSOUFUEMBN-QHCPKHFHSA-N 445.519 5.146 30 40 IKEB COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1 8431176 KYNOUCMSUPMWLO-RPWUZVMVSA-N 427.504 5.128 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 9056632 LMYUSXAYMQYZDE-LPYMAVHISA-N 440.253 5.023 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccco1 9934353 RNCCSISZHQBOIK-MYUZEXMDSA-N 442.515 5.599 30 40 IKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccs1 10303447 JDZZMRBLZXDNOO-UHFFFAOYSA-N 425.366 5.230 30 40 IKEB COc1ccc(OC)c([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c1 13838862 MQMQMQMTYBPBLG-XMMPIXPASA-N 425.488 5.334 30 40 IKEB COc1cc(/C=N/O)c(Br)c(Br)c1OCc1ccccc1Cl 13915450 LNHSYMFUIDWPSJ-FBCYGCLPSA-N 449.526 5.261 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc2ccccc2c1 14133285 JYFFVGRHKZHQGU-UHFFFAOYSA-N 444.560 5.236 30 40 IKEB C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@@H](c1ccc(O)cc1O)CC2=O 14711626 LTTQKYMNTNISSZ-QMHKHESXSA-N 438.520 5.610 30 40 IKEB biogenic,in-vitro COc1cc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)ccc1OCc1ccc(F)cc1 16035675 CJSWIBIWBCUSNI-VULFUBBASA-N 433.508 5.822 30 40 IKEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(F)cc3F)o2)ccc1O 16196048 ZIMVYWSLUPXFAQ-CCVNUDIWSA-N 445.425 6.004 30 40 IKEB O=C1/C(=C\Nc2ccc(Cl)cc2)[C@@H](Nc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 16427859 UWKPRUGQGOONHN-PSXBWXLBSA-N 445.733 6.656 30 40 IKEB CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC)cc1 17085281 IIVXHNFOHNOQFN-ZMRQUTOFSA-N 449.498 5.248 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C(=O)O)cc1 35656316 PKUAQMDHAFRKHZ-XHFTXJRRSA-N 438.549 5.449 30 40 IKEB CCc1ccc([C@H](CNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)N2CCCCC2)cc1 40374136 UQBJMNPDHAWDOH-QHCPKHFHSA-N 445.523 5.323 30 40 IKEB O=C1/C(=N/Nc2ccc(Oc3ccccc3)cc2)C(c2ccccc2)=NN1c1ccccc1 100005985 NOMSBCVLZBJPBF-PBBVDAKRSA-N 432.483 5.698 30 40 IKEB CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(O)=C(O)C1=O 100028643 NRHBEGWPKVFGRH-WMZHIEFXSA-N 442.593 5.405 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 100034584 NGXUWLYJSMSUJJ-UHFFFAOYSA-N 444.619 8.517 30 40 IKEB CCCCCCCCCCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 100067553 PAFDWGGOUSGOKZ-UHFFFAOYSA-N 444.619 7.444 30 40 IKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OCC)c1OCC 214242404 QTKOOENYEDRYGV-KGENOOAVSA-N 441.524 5.588 30 40 IKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc1 408908710 BBIDPOUSUBKFAW-KWPJTZOTSA-N 434.605 6.584 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(C)c2)C(=O)N1C1CCCCC1 408911083 IVBKRFBQERVCKP-UINIZAEWSA-N 434.605 6.503 30 40 IKEB N#Cc1ccccc1COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 408974337 YAZBFMMERVGGGK-HMAPJEAMSA-N 447.416 5.486 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 408976956 UARHBPJXCBUYHM-FXZATJRASA-N 438.358 5.761 30 40 IKEB Cc1nc(N)c(C#N)c(-c2cn(Cc3ccc(F)cc3)c3ccccc23)c1-c1ccccc1 408978737 JPSMXFLXBRKRJV-UHFFFAOYSA-N 432.502 6.320 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409203204 VTCGQFCSKQVWCA-JFLMPSFJSA-N 437.923 6.329 30 40 IKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1cccc(C)c1 409214003 WKXRQMJTKPHOHT-JFLMPSFJSA-N 436.939 6.124 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1 2113998 QOFSONJZHICVCA-ARDTVSTASA-N 432.614 7.099 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccccc2[C@@H](C)CC)nc2sc(C)c(C)c2c1=O 3249956 IOUJUOAZZHJWNF-AWEZNQCLSA-N 441.622 5.505 30 40 IKEB CCCCOc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 8915583 GZDPBPIDRXYYQE-OQKWZONESA-N 442.471 6.338 30 40 IKEB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 8916829 CQJJTUOODQCOMJ-KPURRNSFSA-N 436.599 7.272 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c1 9323759 QMVYJJUAUVALBU-JUMVDPBBSA-N 444.512 5.198 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 9370574 UDEBWDUBFAUXAA-OAQYLSRUSA-N 448.862 5.340 30 40 IKEB Cc1ccc(-c2cc(C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)c3ccccc3n2)cc1 9465023 AIHYJFHSIVRGEY-FQEVSTJZSA-N 441.512 5.008 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccccc1)[C@@H]2c1ccco1 9482722 SJQMLGSBLWFRMB-AREMUKBSSA-N 442.515 5.502 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC(C)C)cc1 9805265 DLMCFGIKAGDIIT-KCWXNJEJSA-N 438.571 6.762 30 40 IKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1 12564651 ZKLQYXWMPWAYDJ-RPPGKUMJSA-N 446.885 6.719 30 40 IKEB Cc1ccccc1CSC1=Nc2ccccc2/C1=N/Nc1cccc(C(F)(F)F)c1 12955517 RTJIGIMRMGGWQM-ANYBSYGZSA-N 425.479 6.807 30 40 IKEB N#Cc1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1-c1nc2ccccc2s1 16492389 NZRKCPYKMWPYQM-UHFFFAOYSA-N 429.508 6.236 30 40 IKEB COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2 18196916 DPPKVWONRSMZNE-MHZLTWQESA-N 441.527 5.847 30 40 IKEB Cc1ccc2cc(C#N)c(NCCCNC(=O)Nc3ccccc3C(F)(F)F)nc2c1C 35291941 PIZSGDIVPKGFJF-UHFFFAOYSA-N 441.457 5.366 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)S/C1=N/c1ccccc1 101398995 GNSUQQQKHUNDIX-KWZOLKRCSA-N 432.501 5.659 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)C[C@H](C)O4)C(=O)N2c2ccc(C)cc2)cc1 408710932 YGHUGCSGXVFDBO-WBZIUFFNSA-N 440.568 6.435 30 40 IKEB CC(C)(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 408914172 VUVDRHHUHKYYRO-DCPLYQDGSA-N 426.585 6.788 30 40 IKEB O=C1/C(=C/c2cc(Br)cs2)S/C(=N\c2ccccc2)N1Cc1ccco1 408917277 QFYCGLRWSTYVIS-HDRGVUIASA-N 445.363 5.908 30 40 IKEB CCOc1cccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c1O 409076837 BMXVTMLRZMQGPW-QLIPUSLZSA-N 430.957 5.704 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OCC 409152460 BDUNZHIZCWYSRX-HMAPJEAMSA-N 436.533 5.372 30 40 IKEB CCOc1ccc2ccccc2c1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409279538 HIVZPKVNIVICLJ-UHFFFAOYSA-N 425.532 5.878 30 40 IKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409390953 GIQMKFJSXXEJAR-UHFFFAOYSA-N 448.478 6.132 30 40 IKEB Cc1ccc(C)c2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)cc12 1354281 QLXNNUKHUUWNIA-UHFFFAOYSA-N 432.574 5.266 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O 2279368 WWSWQJOGUQENNY-UHFFFAOYSA-N 441.571 6.282 30 40 IKEB O=C(/C=C\c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 8383739 KISDMIYGCXSOEN-NVNXTCNLSA-N 443.318 5.113 30 40 IKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2c(F)cccc2Cl)C3)cc1 8781990 IQUCGUDURTXEDY-AKJBCIBTSA-N 448.925 6.467 30 40 IKEB CCOc1ccc(C(=O)/C(=C/c2cc(OC)ccc2OC)c2nc3ccccc3s2)cc1 8915651 VTXPLMDXKUBAQA-PGMHBOJBSA-N 445.540 6.136 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)cc(OC)c1OCCOc1ccccc1 8952458 KJKSTWALRSJEDE-PCLIKHOPSA-N 449.532 5.217 30 40 IKEB COc1ccc(-n2c(C)cc(/C=N/Nc3ccc(I)cc3)c2C)cc1 9262015 ARXCTFJWNHEQNX-LPYMAVHISA-N 445.304 5.153 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccc(Cl)nc1 12958319 QRRFKCDQXFSGKT-UHFFFAOYSA-N 440.277 6.633 30 40 IKEB C=CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Br 16161886 AMFZFKFGBQGKPC-FNGUVFISSA-N 445.382 5.176 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O 16450093 UKKFGOBBEURFNA-XKZIYDEJSA-N 429.476 5.168 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2-c2ccccc2S1(=O)=O 33271919 OKERYXQTTJFSCM-UHFFFAOYSA-N 438.936 5.262 30 40 IKEB C=CCOc1c(Br)cc(C(=S)N2CCC(C)CC2)cc1Br 34863480 VVLDOAUIGMCSOO-UHFFFAOYSA-N 433.209 5.184 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 100037904 DBRDMFBDSAYYGH-QHCPKHFHSA-N 446.635 8.242 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/Cc1ccccc1 100499536 MOTQSAQBNGZBHN-VHPLVOQASA-N 437.590 5.114 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc2ccccc2c1 100499551 BOAKFOHGWYGPSQ-QPRJYHLLSA-N 443.597 6.390 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)S2)cc1 408754372 MZADCRJWLKSBTN-HAHDFKILSA-N 432.520 5.859 30 40 IKEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1 408780833 LTAXQRMTUHULII-YDZHTSKRSA-N 444.316 5.766 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C\c2ccc(Cl)cc2Cl)sc2c1CCCC2 408846837 LEHLZCKEYUMNEP-GATIEOLUSA-N 433.360 6.207 30 40 IKEB C=CCOc1c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC 408914421 NXDJOEDLXRKHBL-PKAZHMFMSA-N 446.572 6.203 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1O 408939292 MGVBRIPYDRSOKU-PNFWVAELSA-N 444.962 6.940 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)S2)cc1 408967047 RUXATOSRNKGIAE-HYARGMPZSA-N 433.533 5.003 30 40 IKEB Cc1nc(N)c(C#N)c(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1-c1ccccc1 408977071 CTCHFERCNFBWMM-UHFFFAOYSA-N 430.851 6.000 30 40 IKEB COc1ccccc1Oc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409070772 GTZMZDBZKFJDOQ-MTDXEUNCSA-N 445.971 8.043 30 40 IKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cccc2ccccc12 409216838 OVNBKJBFPUITGX-BOSNEQTGSA-N 431.605 6.336 30 40 IKEB Cc1ccc(-c2oc(/N=C/c3ccc(C)c([N+](=O)[O-])c3)c(C#N)c2-c2ccc(C)cc2)cc1 409357907 KUCUGACFBMBJEX-MUFRIFMGSA-N 435.483 7.069 30 40 IKEB C=C(C)[C@H]1C[C@@H]2c3ccccc3CCC[C@@H]2O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)O 2037875020 JAWDVHYWKBAWIJ-RANWGYSASA-N 444.930 6.085 30 40 IKEB N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl 3447676 SHPFHBBTSCCCJQ-OAHLLOKOSA-N 436.842 5.214 30 40 IKEB O=C(O)c1ccccc1/N=N/C(=N\Nc1ccccc1C(=O)O)c1ccnc2ccccc12 5492505 IUTMHRDDOZEMKA-PWZAPZMSSA-N 439.431 5.189 30 40 IKEB CS[C@H]1CCCC[C@@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 8443533 QIDCGABYEHXGCU-AZGAKELHSA-N 446.641 6.416 30 40 IKEB Clc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 8811590 ACTHBCQMAXXCBR-MUFRIFMGSA-N 435.354 6.849 30 40 IKEB Cc1ccc(/C=C2\Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)o1 9215925 ICUSUNFKOGBTJQ-UQQQWYQISA-N 437.451 6.541 30 40 IKEB C#CCCCCCCCCC(=O)O[C@@H]1OCCO[C@@H]1OC(=O)CCCCCCCCC#C 12559366 VIBSGKFRYYRQHJ-WMPKNSHKSA-N 448.600 5.280 30 40 IKEB CCOc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 13576719 XZNYWKZYTUABSV-DZNDYGJHSA-N 444.556 6.293 30 40 IKEB O=C(C(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)c1ccccc1)c1ccccc1 19645641 BBJQEWAEAYYKTJ-UHFFFAOYSA-N 447.317 7.403 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 38179855 GVIKTYRRIOUFQX-ZMOGYAJESA-N 439.855 5.355 30 40 IKEB COc1ccc(OC)c(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 58826816 OARZFRWXYAJZJE-YUMHPJSZSA-N 434.561 5.325 30 40 IKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(Br)cc3)c(C)c2s1 72228609 GCLWFUOCGJMQPX-UHFFFAOYSA-N 431.359 5.736 30 40 IKEB N#Cc1c(/N=C/c2cc3c(cc2Cl)OCO3)oc(-c2ccccc2)c1-c1ccccc1 408728044 HNUMCMWTKZMQNE-CCVNUDIWSA-N 426.859 6.618 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 408817378 NFQLBRJQAVMSFN-UQQQWYQISA-N 441.552 6.543 30 40 IKEB O=C1NC(=N/N=C/c2cccc(Cl)c2Cl)S/C1=C/c1cccc(Cl)c1Cl 408974298 YSOOJMPWLLOSQA-UXFMKWBHSA-N 445.158 5.894 30 40 IKEB COc1cc(C(=O)/C=C/Nc2ccc(Oc3ccccc3Cl)cc2)cc(OC)c1OC 409096617 GFDWLQMLRRKHIO-OUKQBFOZSA-N 439.895 5.967 30 40 IKEB C=CCOc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409346096 MOYIUNQAXHDMBQ-LJAQVGFWSA-N 446.550 6.617 30 40 IKEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)o1 824720 KFJHZEUFFRSNDE-AFUMVMLFSA-N 425.400 6.119 30 40 IKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O 1946574 CHHOJVLVUQPUTH-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1 2392931 OVXVSIRWDWSKLO-JJFYIABZSA-N 443.257 6.010 30 40 IKEB O=C1[C@@H](Cc2cc(Cl)ccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 2671083 ZJLGJHFZDDYDPB-AYZDXIITSA-N 427.356 6.372 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1 8396176 GRDGUXROMHEQPC-HXNPFYCNSA-N 428.557 6.326 30 40 IKEB COc1ccc(-c2cc(-c3cccs3)nc(SCC(=O)OC(C)(C)C)c2C#N)cc1 8448491 YKPUIXLTXHPZAS-UHFFFAOYSA-N 438.574 5.791 30 40 IKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccc(C)cc4)c3C)C1=O)cn2C 9423003 NSJVESBVBFHOAR-LGJNPRDNSA-N 439.511 5.999 30 40 IKEB COc1ccc(Cl)cc1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 9588033 ZBVKHAFBHDAPNL-UHFFFAOYSA-N 436.924 5.060 30 40 IKEB C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1ccc(Cl)cc1 9790734 XLXWZEPFJNLZEQ-AWEZNQCLSA-N 431.920 5.199 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1C 13881565 HXPAHSAEJQQVQZ-UNOMPAQXSA-N 446.557 5.816 30 40 IKEB Cc1ccc(-n2nc(C)c3c2N[C@@H](c2ccc(N(C)C)cc2)C2=C3CC(C)(C)CC2=O)cc1 16311719 QHKFPKKWMKWFKA-SANMLTNESA-N 440.591 5.865 30 40 IKEB CCc1ccccc1NC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 21722682 ZSVXZNDQMRWIIZ-HHHXNRCGSA-N 441.531 5.461 30 40 IKEB CCCCCCCCc1ccc(CCc2ccc(-c3ccc(Br)cc3)cc2)cc1 100910961 VPIFMVGSYFBAQH-UHFFFAOYSA-N 449.476 8.804 30 40 IKEB COc1cc([C@@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408730859 JNTQPKJCTFAYHT-SANMLTNESA-N 442.515 5.408 30 40 IKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(C(F)(F)F)c3)cc2)cc1 408811490 KHWMNGDWHQMOTD-VYYCAZPPSA-N 428.410 5.482 30 40 IKEB COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(Cl)c1O 408858942 UUJNQOYYOSDLCW-MXAYSNPKSA-N 440.952 5.997 30 40 IKEB COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1OCC(C)C 408876584 MNCZXUQWKMCWFU-JAIQZWGSSA-N 430.957 5.583 30 40 IKEB CCCCCCCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 409003712 KFTYSLXXWFHEEC-QNGOZBTKSA-N 427.928 6.042 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1Cl 409214141 WOGDCXGIKSWWGI-BRJLIKDPSA-N 449.175 7.394 30 40 IKEB CCOc1cc(C)c(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1C(C)C 409243422 YMDVRWJCZFUECH-VBJFXANNSA-N 426.557 6.280 30 40 IKEB C=CCc1cc(/C=C2/SC(=S)NC2=O)cc(OCC)c1OCc1ccc(Cl)cc1 409353943 VDOXIPZXUHGJHB-XDHOZWIPSA-N 445.993 5.535 30 40 IKEB COc1cccc(-c2nc3cc(/N=C/c4cc(C)cc(Br)c4O)ccc3o2)c1 1444751 UGNFDYDGQHGOKA-WYMPLXKRSA-N 437.293 6.031 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc(CCc3ccccc3)cc2)c2ccccc21 2348120 BIBKQYYOUMZJDV-PMERELPUSA-N 445.587 7.338 30 40 IKEB CCC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)nc2c1 3083653 ITZRYUJKLJAVHQ-NEZLHVBRSA-N 437.370 8.456 30 40 IKEB N#Cc1ccc(CO/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 3320755 ITUGZYKDTFTZMP-ZCTHSVRISA-N 448.522 6.267 30 40 IKEB CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)cc32)cc1 4794637 SLOZAVCBNVVGHZ-RUZDIDTESA-N 434.580 5.751 30 40 IKEB N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccccc31)CCCCC2 8412920 SHWVRZVVLCDYJQ-UHFFFAOYSA-N 443.597 6.144 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCSCc1ccccc1 8448609 VIQSWFZUXJOSHG-UHFFFAOYSA-N 438.621 7.313 30 40 IKEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OC(C)C 8811950 NFPIYUPYPWCZBU-SSDVNMTOSA-N 425.754 5.412 30 40 IKEB Cc1c(OC(=O)c2ccc(F)cc2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9423562 XCNZOZVRYVMGQD-YDZHTSKRSA-N 427.431 5.461 30 40 IKEB CCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2ccc(C(F)(F)F)cc21 11021911 JPMOLIKQJUFYDQ-ZDUSSCGKSA-N 432.471 5.456 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 13552108 FFBZHSIFRFVTDC-HXUWFJFHSA-N 434.835 5.166 30 40 IKEB CCCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)S/C1=N\c1ccc([N+](=O)[O-])cc1 13634222 OJAMXJLLMCHAIR-IFLFXUNCSA-N 434.521 5.333 30 40 IKEB CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccccc2)cc1 13756999 OVIZWAHKNZVBBT-VYVDHXHBSA-N 446.623 5.104 30 40 IKEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 22509349 TXTMVBBZWOHGCN-UHFFFAOYSA-N 432.545 5.026 30 40 IKEB COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C\c3ccc(OC)cc3OC)n2)cc1 30721860 VBAADFORZVGCOC-PKAZHMFMSA-N 440.503 5.282 30 40 IKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249834 XSHCYVCQCFHRJZ-LQKURTRISA-N 443.934 6.940 30 40 IKEB Clc1ccc(COc2ccc3ccccc3c2/C=N/Nc2nc3ccccc3[nH]2)cc1 59417076 FWTDAAQQISERSB-JFLMPSFJSA-N 426.907 6.395 30 40 IKEB COc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 100507617 XBBPKCDGNMQZIT-BHGWPJFGSA-N 441.256 5.861 30 40 IKEB CCCCCCCCCCC/C=N/NC(=S)N/N=C/CCCCCCCCCCC 104376617 XVFOADJKVANFGQ-LSBUKLHESA-N 438.770 8.264 30 40 IKEB CCOc1ccc([C@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)cc1OC 108945872 LZKOABRHWOOWAD-SFHVURJKSA-N 443.587 6.776 30 40 IKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408668290 DLKZUBPHBDKNIR-QUURXOELSA-N 438.612 6.248 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c1OCC(C)C 408913779 RMFNGVOXWJMLQZ-IKMQVZDESA-N 438.593 6.051 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 408914131 VNNUNKBXXSEHOG-QLNCSRKTSA-N 428.513 5.750 30 40 IKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c1C 408965856 JEOMXQVVKVSMOI-XKZIYDEJSA-N 435.980 6.202 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1Br 409129394 GLQWUYWCIFAFBG-UHFFFAOYSA-N 427.136 5.397 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br 409208653 DLAHESVJWQLQNX-UFFVCSGVSA-N 445.582 6.713 30 40 IKEB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3cccc(C)c3C)cc2Cl)c1 409213267 SEJBOYFQTUTOQW-UVHMKAGCSA-N 441.358 6.687 30 40 IKEB CCn1c(C)cc(C=Nn2c(-c3cc4c(OC)cccc4o3)nc3ccccc3c2=O)c1C 409308755 YINZZNALNLMJCI-UHFFFAOYSA-N 440.503 5.139 30 40 IKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)cc(C)cc1C 409323733 PMBGPZNHCNFEFA-AWEZNQCLSA-N 426.358 5.480 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)c(Cl)c1 409335502 OOOYBZWHQIXVSY-UHFFFAOYSA-N 448.748 5.046 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1OC 781127 AMBPRWLLGRGDJA-MMTVBGGISA-N 440.543 5.992 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C 2082946 FSNQOLKXMCXULO-MKRFAJQFSA-N 428.513 5.841 30 40 IKEB N#Cc1c(/N=C/c2cc(Br)c(O)c(Br)c2)sc2c1CCCC2 2892649 WAUZVWZMMWAJTK-DNTJNYDQSA-N 440.160 5.480 30 40 IKEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 16161392 CGZXFUMXAHIPDM-NDENLUEZSA-N 443.355 6.707 30 40 IKEB Cc1ccc2nc(-c3cc(/N=C\c4ccc(Cl)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 18100568 HWCOOOIOZRSEPR-MYKKPKGFSA-N 426.259 6.769 30 40 IKEB CCCCOc1ccc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)c2ccccc12 33712143 GVTYRXPFNWUZFB-OBDXBSDPSA-N 437.590 5.850 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 39921290 GSQAAKAOMJBFDI-DEOSSOPVSA-N 446.528 6.757 30 40 IKEB C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 44088241 LAAKVMHMNRIVIJ-UHFFFAOYSA-N 427.303 6.726 30 40 IKEB CCCCCCCCCCCCCCCC(=O)OCCOCCOCC[N+](C)(C)C 100925823 MWVYVWHJTMJYFH-UHFFFAOYSA-N 430.694 5.750 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 102483599 PBFONPZZAZUSLC-ZHHPLPSFSA-N 426.516 5.314 30 40 IKEB CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=N\c2ccccc2)/C1=N/c1ccccc1 103710878 NLFNSWMTPUMXMU-ORFRIDJFSA-N 443.601 5.400 30 40 IKEB CCCCCCCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1CC 408560640 MPCALYBGXZEVTJ-UHFFFAOYSA-N 443.642 5.665 30 40 IKEB C=CCOc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 408736426 SBVGUSQCSPWPHP-VWKPWSFCSA-N 429.301 5.683 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 408819770 SXJUSFYNQNZPMZ-ODLFYWEKSA-N 434.344 5.967 30 40 IKEB CC(=O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408849620 XUNDTAOMSMNYDS-SSDVNMTOSA-N 434.742 6.800 30 40 IKEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1cc(C)cc(C)c1 408936629 HADQELUJAJYRSJ-GIJQJNRQSA-N 444.325 5.360 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)c1C 409172689 GELAQCUDYLWSAT-ZMOGYAJESA-N 441.556 5.819 30 40 IKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1Cl 409384763 GBAFIFVBXMBOLX-RPPGKUMJSA-N 431.294 6.209 30 40 IKEB COc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 953044013 AVKYZTMTPBIELM-UHFFFAOYSA-N 430.474 5.368 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 671220 PDTKTDYWDNIFTD-UHFFFAOYSA-N 449.363 5.081 30 40 IKEB CCCCCCCCC(=O)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 3021058 LITDWRQFJNOLAN-UHFFFAOYSA-N 442.353 6.183 30 40 IKEB COc1cc2c(cc1OC)[C@H](C1=C(O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 4713236 VZZLAMBMWPLSFB-OAQYLSRUSA-N 426.509 5.024 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)cc1Br 8811619 LIPZUMLVXSAHLW-DHRITJCHSA-N 430.777 5.942 30 40 IKEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Br)c1OC 9195371 RYVVFDZZSOZHFM-ZVBGSRNCSA-N 432.145 5.287 30 40 IKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1 11869540 ICAZQFGVSBXSKP-FBHDLOMBSA-N 441.266 5.837 30 40 IKEB O=S(=O)(/N=C(\Nc1ccc(Br)cc1)c1ccccc1)c1ccc(Cl)cc1 12378370 CSBPZKHYKJIDLI-UHFFFAOYSA-N 449.757 5.350 30 40 IKEB CCN(CC)C(=O)C(=O)[C@H](S/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1 16678380 KVAHJXYMBKRQHL-XMMPIXPASA-N 445.588 5.698 30 40 IKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(F)c1 17094711 PVFMBLHCMKBWBU-UHFFFAOYSA-N 426.234 6.065 30 40 IKEB COc1ccc(OC)c(/C=C/C(=O)N2CCCS/C2=N\c2ccc(C)c(Cl)c2)c1 25422452 AFCPVNAMWPANDJ-CCONXQNDSA-N 430.957 5.332 30 40 IKEB O[C@@](C#CCN1CC[C@H](c2ccccc2)C1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 96194498 ZIVDJFZROQALFF-NYDCQLBNSA-N 443.590 6.082 30 40 IKEB CCCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 97940395 YNBRJYJMWHBLJM-JOCHJYFZSA-N 431.576 7.109 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1cccc2ccccc12 100499452 PNNFANBSLKXYHM-DIQLGICBSA-N 429.570 6.000 30 40 IKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 408856135 BAGMCKPMPVBLAU-ODLFYWEKSA-N 438.892 5.498 30 40 IKEB CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OCC 408964929 IOXXKYBTBVZICF-GZTJUZNOSA-N 437.348 5.682 30 40 IKEB Oc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1I 408966103 YZPSZHXASSWDFF-REZTVBANSA-N 436.474 5.163 30 40 IKEB COc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 408967491 SMCZFGXYFKOEAW-RDRPBHBLSA-N 437.495 6.390 30 40 IKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 409211314 NJHWKUIQQXCCKT-RWPZCVJISA-N 436.338 7.485 30 40 IKEB Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1C 409212369 QNQKFKULKDHOMT-WKULSOCRSA-N 434.366 8.093 30 40 IKEB CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 409240601 HCVNIFFHOOVVGC-LICLKQGHSA-N 437.348 5.601 30 40 IKEB CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C#N)o3)SC2=S)c1 409347757 NINMPVVEPOJCKS-UDWIEESQSA-N 434.567 5.946 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccn1-c1ccccc1 1531269223 STZUXWDFCHICTC-FYHAJLKWSA-N 449.352 5.345 30 40 IKEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 952989 GLCWESATTUQJBY-XMMPIXPASA-N 449.522 5.182 30 40 IKEB Cc1ccc(OCCn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)cc1C 1850990 XCPRMUFFFOGNGL-JVWAILMASA-N 440.572 6.393 30 40 IKEB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 2376015 OXBUWOPINDVTJF-STZFKDTASA-N 447.585 5.244 30 40 IKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc3c(c2c1=O)CCC3 3267060 PMYCYZDQEWSSMQ-UHFFFAOYSA-N 432.570 5.261 30 40 IKEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl 6177481 SRSOJXJDJDRYLG-DHFGEULSSA-N 431.319 5.224 30 40 IKEB Cc1ccc(C[C@@H](C#N)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 9127135 FTXQUHLYBKMXMY-CVDCTZTESA-N 449.599 5.489 30 40 IKEB CN1/C(=C\C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C(C)(C)c2ccccc21 9245000 KLYJGJVPWCCSDE-MTJSOVHGSA-N 430.533 5.191 30 40 IKEB C=CCn1c(C)c(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc21 9721138 DDVJBTBRYMYXOR-PFMNSIPKSA-N 431.561 5.386 30 40 IKEB CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1O[C@H](C)C(=O)N(C)C 13055988 LRKMWQUIXUIRLR-OAUONFCTSA-N 436.335 5.144 30 40 IKEB CC1(C)CS/C(=N\CCc2ccccc2)N1C(=O)c1cccnc1Sc1ccccc1 13129633 BAXCSXFKHRPQSV-PNHLSOANSA-N 447.629 5.799 30 40 IKEB Cc1ccc(NC(=O)ON=C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 13395380 PMULFVCAQLQLLJ-UHFFFAOYSA-N 426.826 5.267 30 40 IKEB CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1 13503496 VGKGVYBQQWUVGI-UHFFFAOYSA-N 435.549 5.252 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 13634727 QZIRYQALYMIVQT-DEOSSOPVSA-N 431.536 5.479 30 40 IKEB CC(C)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 13816138 OCQDUXCXSHGZPC-FOIQADDNSA-N 442.441 5.429 30 40 IKEB COCCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N\c1ccc(OC)cc1 15013416 CFFJQCHIQBJBOM-HUOZHCEOSA-N 449.576 5.481 30 40 IKEB N#CCCn1cc(/C=C/C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 15696735 VLEYJOXJXIIDKX-DRUFCSCSSA-N 440.572 5.584 30 40 IKEB O=C(Nc1sc(N/N=C/c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccs1 16753176 KLKPJYIVLBIENL-YDZHTSKRSA-N 438.965 6.223 30 40 IKEB Cc1ccc(Cl)cc1NC(=O)C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 17248068 IQYDHBIQUPISCE-UHFFFAOYSA-O 435.762 5.296 30 40 IKEB COc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC 33938389 NLZRIDQQYQHPRR-GATIEOLUSA-N 436.821 5.279 30 40 IKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(F)cc1 50704708 DVORVOXRCXVUGB-UHFFFAOYSA-N 428.555 7.453 30 40 IKEB CCCCCCCOc1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 97968818 RJNNANDABJZSRA-GHMPKOMJSA-N 432.608 6.903 30 40 IKEB O=S(=O)(Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 100407586 AFQMTHNCLKGKTP-DHRITJCHSA-N 439.842 5.877 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C/C(=N\O)[C@]4(C)[C@@H]([C@@H](C)OC(C)=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118922815 LVLQUIZWMULUMY-ROBXSGDKSA-N 447.616 5.359 30 40 IKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 408719042 HFFDONZSUNLIPB-PSYZWBJOSA-N 429.501 6.020 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccc(C)c(C)c3)cc2Cl)cc1 409215907 CATHFECEFCJPER-DHRITJCHSA-N 448.371 6.437 30 40 IKEB Cc1ccoc1C=Nn1c(-c2cc3cc(Br)ccc3o2)nc2ccccc2c1=O 409306983 RLKJQNMMOLBNSY-UHFFFAOYSA-N 448.276 5.356 30 40 IKEB N#Cc1c(SCc2nc3ccccc3[nH]2)nsc1SCc1nc2ccccc2[nH]1 2192491 BNPWPVQZPHKKGJ-UHFFFAOYSA-N 434.575 5.352 30 40 IKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1ccc(Br)cc1 2347185 GLANPKJYUZDVGV-UWVJOHFNSA-N 428.142 5.185 30 40 IKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2 4065631 LNVYGCRQHNZVOG-GKVSMKOHSA-N 435.354 6.973 30 40 IKEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCC(C)CC1 4311474 ZGHHYFNDDMTZKI-LPWJOBEDSA-N 441.656 6.396 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 8445230 KBJYLXCDJFHQBD-HZHRSRAPSA-N 430.577 5.360 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1OC 8820739 DOCQOKGYZRZLQS-PXNMLYILSA-N 442.846 5.268 30 40 IKEB COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1COc1ccc(Cl)cc1 9065237 MCYBNSXGBIWKQK-MKMNVTDBSA-N 444.914 6.683 30 40 IKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc4c(c3)OCO4)cc2)cc1 16638598 QVGHANQHPKNYGD-WPWMEQJKSA-N 431.488 5.954 30 40 IKEB Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 17094591 MXWQLAOLCWHNME-MRXNPFEDSA-N 425.623 5.514 30 40 IKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 18286679 VFTKHMOCXQDQJR-AREMUKBSSA-N 444.619 6.783 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1ccc([N+](=O)[O-])cc1 29739390 CSGSVAUGXSZXPC-UHFFFAOYSA-N 438.553 5.675 30 40 IKEB CCCCCCCCCCCCCCCCCOC(=O)c1nsc(Cl)c1Cl 98006132 DJUNPNKSMNAFDA-UHFFFAOYSA-N 436.489 8.478 30 40 IKEB O=C(Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)c1cc2ccccc2o1 98086860 LEWFXHAVEGPWDO-BRJLIKDPSA-N 425.271 6.448 30 40 IKEB Cc1nc(-c2ccc(/N=C\c3ccc(N4CCC5(CCCCC5)CC4)cc3)cc2)cs1 104113815 YPJQRFCSDXOVNI-USHMODERSA-N 429.633 7.420 30 40 IKEB CCCCCC[C@H](C)S(=O)(=O)OCCCCOS(=O)(=O)[C@H](C)CCCCCC 104334383 PWGDFQHQYGXQCY-BGYRXZFFSA-N 442.684 5.177 30 40 IKEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 107831504 XVVZYMXLVVEWFE-BRJLIKDPSA-N 432.376 5.544 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)c(C(=O)O)c3)c3ccccc32)c1 408542045 JOBNSQNGNYEFJT-WKIKZPBSSA-N 446.890 5.578 30 40 IKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 408691626 JENOXGYENQDDFA-XYOKQWHBSA-N 441.752 6.886 30 40 IKEB C=CCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408817472 VYXDKCBELKDAEV-HETFKXARSA-N 433.597 6.305 30 40 IKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S1 408874868 DQHSWGPUOQZOFM-OYKKKHCWSA-N 445.588 5.920 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2Cc2ccccc2)cc1 408914808 WGTZQZUQSOMPBS-HUOZHCEOSA-N 443.528 6.016 30 40 IKEB Cc1ccc(NC(=O)COc2ccccc2/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408931959 AFFMBTRWNCRJFP-VYYCAZPPSA-N 427.426 5.477 30 40 IKEB CCN1C(=O)/C(=C/c2ccccc2Sc2ccccc2)S/C1=N/c1ccc(F)cc1 409242459 VCYFBODZOKEMES-SGXAETBLSA-N 434.561 6.601 30 40 IKEB CCCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 2434444 WZNYKKJPFJPREB-UHFFFAOYSA-N 436.581 5.278 30 40 IKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O 3162518 XFMBZTBYKOFHGE-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB C/N=C1/S/C(=C\c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C 8450476 BFYQUYGGYFENII-VIADFIPNSA-N 447.604 5.684 30 40 IKEB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2 9334446 OWJNNMGFSZEVIL-BPUDTRNYSA-N 444.039 5.826 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 9969607 DHZZBLSWDRXUME-QHCPKHFHSA-N 443.455 5.203 30 40 IKEB Cc1cccc2cc(C#N)c(NCCCNC(=O)Nc3ccccc3C(F)(F)F)nc12 12646152 KTGHAJJOMNILKI-UHFFFAOYSA-N 427.430 5.057 30 40 IKEB COc1cccc(C[C@H]2Nc3cc4cc(C)ccc4nc3S/C2=N\c2cccc(C)c2)c1 13568293 RUVCZBYRZIMFIQ-KZKOHTGOSA-N 439.584 6.719 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C(C)=O)c1 15945275 RVJTWKGUORAROP-ZMPCKTLKSA-N 437.590 5.663 30 40 IKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c2cc(OC)ccc21 20649671 CYWOHMRXGGESRQ-YTIGJDNKSA-N 446.547 5.224 30 40 IKEB CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccccc3)c2C#N)cc1 20840609 VSWPJAUKBWZWIT-UHFFFAOYSA-N 442.544 5.228 30 40 IKEB CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 97999361 APAMUKPQYHNZEK-OAQYLSRUSA-N 433.596 6.316 30 40 IKEB COc1ccc(N/C=C/C(=O)c2cccc(OCc3c(F)cccc3Cl)c2)cc1Cl 100293384 XBKFIHCFQHXZOM-ZHACJKMWSA-N 446.305 6.529 30 40 IKEB C=CCNC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 100825748 BIPIQBZJHZFACR-CFBLSMTOSA-N 432.545 5.021 30 40 IKEB N#CC1(C#N)[C@H](c2ccccc2)[C@H]2CS[C@@](c3ccc(Cl)cc3)(S2)C1(C#N)C#N 102038621 VTZUWSRPCOMUTP-KNKQGSTJSA-N 432.961 5.206 30 40 IKEB CCCCCCCC[C@@H](Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1)C(=O)O 103692925 DLNSXEMHUFJJGV-HSZRJFAPSA-N 438.520 6.051 30 40 IKEB C=CCN(c1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 224509260 UKOVKDWKCATTPV-UHFFFAOYSA-N 448.588 5.121 30 40 IKEB COc1ccc(-c2nc(/N=C/c3cccc(Br)c3)sc2-c2ccccc2)cc1 408723508 VVVGFKPIYPPKSV-MFKUBSTISA-N 449.373 6.999 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)NCc1ccccc1 408801232 SOMWYUVJROUZRS-CEUNXORHSA-N 436.511 5.925 30 40 IKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)SC1=S 408806833 BOGCBHJYUWTZBW-BOPFTXTBSA-N 433.396 5.244 30 40 IKEB COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1OCc1cccc(C(=O)O)c1 408849741 YGEUBAMGTWELDF-ROTLSHHCSA-N 430.287 6.030 30 40 IKEB O=C1CCCC2=C1C(c1cn(Cc3cccc(F)c3)c3ccccc13)C1=C(CCCC1=O)N2 408894379 QFUYTKMKLVATHN-UHFFFAOYSA-N 440.518 5.530 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N\c1ccc(C)cc1 408911833 ONBWAZDYHCMVHL-YCJCGMCGSA-N 445.588 6.035 30 40 IKEB COc1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1Br 409051027 GYZMIMBSKRALJR-XLNRJJMWSA-N 430.323 5.323 30 40 IKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C2CCCCC2)cc1 409055472 YWVKWJRSPAMHPA-DICXZTSXSA-N 444.431 8.001 30 40 IKEB Cc1cc(-c2ccc(C)o2)c(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 756955 SNGSTUWRBYHAOY-UHFFFAOYSA-N 427.323 5.568 30 40 IKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1 2258877 BXNVVDLMFDVBIR-UHFFFAOYSA-N 425.572 6.577 30 40 IKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c(C)c1Cl 3114343 RUQNFYSEUAQKPE-CCVNUDIWSA-N 432.951 7.519 30 40 IKEB CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 8449914 VGVWHIWQHBELQY-UHFFFAOYSA-N 429.004 7.452 30 40 IKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1cccc(Br)c1 8821156 BEYDSWDVZFUQQY-ZROIWOOFSA-N 427.245 5.360 30 40 IKEB COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1OC 9019003 WLEOBYFYPYTMKM-JOCHJYFZSA-N 449.890 5.140 30 40 IKEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 9531277 XEIYIHOFFOFZDR-IWIPYMOSSA-N 428.484 5.690 30 40 IKEB CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 9678760 VUZDVWRSUQXVCN-KPURRNSFSA-N 438.571 6.763 30 40 IKEB Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C1CCCCC1 9788865 JBBXAOFOEKGSQC-AWEZNQCLSA-N 443.642 5.413 30 40 IKEB C[C@@H]1CSC(N(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)c2ccc(Cl)cc2)=N1 10021775 HJXRDGQFLUOQQG-SNQZOLJRSA-N 448.979 5.746 30 40 IKEB CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C1CCCCCC1 12401422 PSRRMSACQKVISN-UHFFFAOYSA-N 438.594 5.020 30 40 IKEB COc1ccc(/C=N/Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)c(OC)c1 12419930 QOSLWYWLLHQDSV-YSURURNPSA-N 425.407 5.431 30 40 IKEB CC(C)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 13816150 OCQDUXCXSHGZPC-YWZLYKJASA-N 442.441 5.429 30 40 IKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1 13881563 WDDOOQVKKGTHIE-PDGQHHTCSA-N 432.530 5.507 30 40 IKEB Cc1ccc(C(=O)Oc2oc(-c3ccccc3)nc2/C=N/c2ccc(N(C)C)cc2)cc1 15986516 IAVGIVYSGXFYDR-WPWMEQJKSA-N 425.488 5.686 30 40 IKEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3nc4ccccc4n32)cc1 17099613 ITRPBVPFKBZSGH-HRFSGMKKSA-N 435.527 5.769 30 40 IKEB N#Cc1c(N)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(N)c2c1-c1cccs1 19852948 BIPVSKROUWQYHC-UHFFFAOYSA-N 434.590 5.460 30 40 IKEB CNc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccccc4Cl)nn32)cc1 32816939 UZPHVHRVKJFAAY-NRFANRHFSA-N 433.943 5.298 30 40 IKEB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N/N=C\c2ccc(Cl)cc2Cl)n1 33714395 ZAPIHSXMNPLXBY-MWYAZZEHSA-N 445.659 6.569 30 40 IKEB O=C1CCCC2=C1C(c1cccc(OCc3cccc4ccccc34)c1)C1=C(CCCC1=O)N2 59193528 CKAUEGLRTDHYOH-UHFFFAOYSA-N 449.550 6.120 30 40 IKEB COc1ccc(-c2nc(/N=C/c3ccccc3OC)sc2-c2ccc(OC)cc2)cc1 59464324 SUUBJVDCZHSBCO-WGOQTCKBSA-N 430.529 6.254 30 40 IKEB Oc1ccc(Cl)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 59475471 OTFDAGVPTOBMBV-IOXBOXJCSA-N 429.719 6.094 30 40 IKEB CCOc1ccc(/C=C2/CC(O)(C(F)(F)F)C/C(=C/c3ccc(OCC)cc3)C2=O)cc1 84807892 VYWCULQYUXXSLQ-AXPXABNXSA-N 446.465 5.607 30 40 IKEB CC(C)(C)c1ccc(N/C=C/C(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 100074622 PAYUITOJEPHAFL-FOCLMDBBSA-N 437.942 7.164 30 40 IKEB COc1cccc(Oc2ccc(/N=C/c3ccccc3I)cc2)c1 408551594 OIIONYRMLCAYSO-HYARGMPZSA-N 429.257 5.843 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c(OC)c1 408721942 BNVBMHDBQVFEPZ-CVKSISIWSA-N 434.948 6.898 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 408914859 YFWGFGHLLXTKRH-WNIMSWJZSA-N 432.520 5.947 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)S2)cc1 408962983 WTBRABKSFIBDHI-LPYMAVHISA-N 435.980 6.256 30 40 IKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2c3ccccc3cc3ccccc23)S1 409231234 IZVBPQHTAKFYBH-OEAKJJBVSA-N 428.944 6.846 30 40 IKEB C=CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1 409350015 WUWOEPAXBAGTGA-SFQUDFHCSA-N 432.364 5.420 30 40 IKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409384686 FGHFLDDAEOYRLI-WJGWSCHNSA-N 434.605 6.997 30 40 IKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 2252229 JCQFDSHQQLOBFC-SFHVURJKSA-N 426.607 5.521 30 40 IKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1 3665976 GXMBUPUSJQJUTO-OQNHBUHUSA-N 430.529 5.508 30 40 IKEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccsc2)N2c3ccc(Cl)cc3C=C[C@@H]21 8809681 UBBBVGJLBBETIZ-ZLNRFVROSA-N 441.943 5.686 30 40 IKEB Cc1nc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(C#N)c(C)c1C 9794521 MONHPYVQMOUKCO-GOSISDBHSA-N 436.562 5.003 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@H]12 12652864 HSBSDJNJPQPKOI-GEMOAIMLSA-N 429.604 6.003 30 40 IKEB biogenic O=C1[C@@H](c2ccccc2)S/C(=N/N=C/c2ccco2)N1c1cccc(C(F)(F)F)c1 15931762 XRBJQNHZTSZWOT-QFXIWQKKSA-N 429.423 5.510 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cc(Cl)cc2c1OCOC2 16577965 CKOVCUBTEMOSJB-VWLOTQADSA-N 445.946 6.669 30 40 IKEB CCNC(=O)O/N=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCC)CC[C@]4(C)[C@H]3CC[C@]12C 38802151 SNAZURKPPNBWIB-GPCIJAIRSA-N 445.604 5.166 30 40 IKEB C=CCc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc(OCC)c1O 59302662 UBBWRDNNVZHPBN-PCLIKHOPSA-N 434.517 6.329 30 40 IKEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccc(Cl)cc1 102930640 DNOPMMFDKDKMMA-YDJIHCHBSA-N 425.818 5.245 30 40 IKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(SC(F)F)cc1 105758070 TYGMPHYMGNNLRQ-UFGLDMCJSA-N 447.532 5.148 30 40 IKEB Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1C 253574898 TZFDXSPIDPOGLS-HHHXNRCGSA-N 441.531 5.515 30 40 IKEB C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1 408590266 HBCKLFHYPZEHLJ-WGOQTCKBSA-N 432.476 5.462 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)ccc1I 408778706 XAJPNILZEHIOOP-FSJBWODESA-N 432.280 5.897 30 40 IKEB Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408781942 DLCJMWUDOAUPLW-JAIQZWGSSA-N 436.468 5.033 30 40 IKEB Cc1sc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C#N)c1C 408817293 LDWVHJSJVPSNBC-CCVNUDIWSA-N 430.960 7.373 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Br)cc3C)c2C)c1 408968749 YPUUHWKGDCVVJV-QFEZKATASA-N 439.353 6.092 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(N(C)C)cc3)N(C)C2=O)cc1Cl 409012671 RFAGBHGZJMZEDD-GIZWUGLGSA-N 444.000 5.817 30 40 IKEB C#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O 409061961 KPBOGYZIPHQISN-BOPFTXTBSA-N 448.725 5.355 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OCC 409194806 MUGHXYGNJCQWSF-LDADJPATSA-N 448.997 5.259 30 40 IKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1C(C)C 409218372 ILIIDYOQLZEEQD-GRUKXCDCSA-N 439.537 5.263 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 409349407 PRJIJVCJXAEQAG-SFQUDFHCSA-N 432.364 5.420 30 40 IKEB COc1ccc([C@@H](CC(=O)c2ccccc2)[C@H](C#N)c2ccc(Br)cc2)cc1 1084379 HPQCQYKQZYRGAA-DHIUTWEWSA-N 434.333 6.122 30 40 IKEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)SC1=S 1186671 SPXVCTXEEQGIGY-YBFXNURJSA-N 439.631 5.293 30 40 IKEB CC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3c(C)cc(C)cc32)S1 2183596 KVPVOSZTHPIWLM-PTGBLXJZSA-N 437.655 6.984 30 40 IKEB CCCC[N+](C)(CC#Cc1ccc(C#CC[N+](C)(CCCC)CCCC)cc1)CCCC 4808495 AOTJNYOWEDRDJI-UHFFFAOYSA-N 438.744 6.483 30 40 IKEB COc1ccc(-c2cs/c(=N\N=C\c3ccc(F)cc3)n2-c2ccccc2)cc1OC 8765905 OKDSTDFKRRQQKH-UCRJKCCMSA-N 433.508 5.297 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1Br 9311193 HTWDKOKPNSLZLS-UNOMPAQXSA-N 443.366 5.522 30 40 IKEB COc1cc(C(=O)/N=C2\Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)cc(OC)c1OC 9340102 XAXXPBMVXIXMNA-HSZRJFAPSA-N 443.503 5.253 30 40 IKEB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(OC)c2)C2=C1CC(C)(C)CC2=O 9731348 PCDBKVZJQHMANF-UHFFFAOYSA-N 437.580 5.496 30 40 IKEB O=C(NC1=C(Nc2cccc(Cl)c2)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 15906438 LFGLGDXFZNQJJW-UHFFFAOYSA-N 437.282 5.126 30 40 IKEB Cc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 19647403 IKLBZVHMXYKIIN-KDYSTLNUSA-N 448.526 5.795 30 40 IKEB C=CCN1c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2-c2ccccc2S1(=O)=O 33271920 BEINWOVCBZOJNX-UHFFFAOYSA-N 438.936 5.262 30 40 IKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)s1 34690050 QZLRWJMYVFDXQI-JGOBEUKDSA-N 442.997 5.579 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC 59463676 PSACISSVRXGKGZ-MFKUBSTISA-N 445.500 6.153 30 40 IKEB CCCCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 68569045 TWGHYOAJUKDFII-QVAGMWBUSA-N 449.723 9.860 30 40 IKEB Cc1ccc(N/N=C2/C(=O)N(c3nc(-c4ccccc4)cs3)N=C2c2ccccc2)cc1 100530616 MHSBDNBGCKEARU-WEMUOSSPSA-N 437.528 5.338 30 40 IKEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccc(Cl)cc1 102930643 DNOPMMFDKDKMMA-NHFXJNLRSA-N 425.818 5.245 30 40 IKEB CCCCCCCCC[N+](C)([O-])CCCCCC[N+](C)([O-])CCCCCCCCC 104199039 CJQFIWHTMUHATI-UHFFFAOYSA-N 428.746 7.937 30 40 IKEB Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)cc2)cc1 260570005 TXCGFSVHCLIKOI-YCUXBXLJSA-N 440.631 8.347 30 40 IKEB COCc1cc(C)nc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C#N 408599859 MYJZXDBWJHKGBM-UHFFFAOYSA-N 430.744 5.099 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)S2)cc1 408759940 OOJVNBQPFHBXCM-FMCGGJTJSA-N 445.544 5.277 30 40 IKEB CC/N=C1/S/C(=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)C(=O)N1CC 408929185 IDAQYSOMXFBUPE-LRXZINBSSA-N 428.529 5.116 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O 409156273 RPOAEFCSEQIEGM-YDZHTSKRSA-N 444.487 5.513 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cc(C)cc(C)c4)NC3=O)cc2)cc1 409230910 GVJGXOSYRCNPTR-HAHDFKILSA-N 430.598 6.655 30 40 IKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1cccc(C)c1 409313018 AXMYYLMMTBTSSO-UHFFFAOYSA-N 449.352 5.093 30 40 IKEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 1844911 SJUZXOHAUYSXKW-NKVSQWTQSA-N 425.799 5.583 30 40 IKEB COc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 2131670 HXUSHXYODUVSHP-IOFNULOHSA-N 426.468 5.598 30 40 IKEB biogenic CCC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Cl)c2C#N)C1 2158551 VPCGIDJRNCSMPJ-ZDUSSCGKSA-N 446.041 5.941 30 40 IKEB Cc1ccc(/C=C2\C(=O)c3c(Oc4ccc(Cl)cc4)cccc3[C@H]2c2ccccc2)cc1 3133437 ALEFMTZWRAUYNF-HPFVHPJRSA-N 436.938 7.853 30 40 IKEB N#Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCC2 3305523 VKWFUEWZALEIIE-UHFFFAOYSA-N 443.355 6.247 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2C#N)cc1 6245861 AIDCVXYVEWWATG-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB CC(C)OC(=O)CC(=O)CSc1nc(-c2ccc(F)cc2)cc(-c2ccccc2)c1C#N 8448689 OMTAFPSNTKZADS-UHFFFAOYSA-N 448.519 5.429 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCCC(=O)c1ccc(F)cc1 9423026 WYEJHXHNXABFFA-UHFFFAOYSA-N 444.453 6.533 30 40 IKEB CCCCOc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 13548636 BCIJXTKQEOCHPZ-XHLNEMQHSA-N 436.559 6.460 30 40 IKEB Cc1c(/C=N/c2c3ccccc3nc3ccccc23)c(O)n2c(nc3ccccc32)c1C#N 16249464 VBTFFKMKBMVGSZ-WKULSOCRSA-N 427.467 5.825 30 40 IKEB CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2/COc3ccccc3C2=O)cs1 96924517 CDUGZMACUNZMLE-UYRXBGFRSA-N 432.545 5.611 30 40 IKEB CCCCCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cccc12 102079633 WLADNDBIQLEBIM-UHFFFAOYSA-N 438.011 8.161 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C 102401953 CAGWHKOMOXFQJN-LFVOPCPISA-N 438.574 5.571 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)sc1C 102514781 KHMLZOLRNZHSSP-SELCWUDQSA-N 442.899 5.179 30 40 IKEB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)[nH]c(=O)c1C#N 108019932 BLIQTUIKOXLBJV-ZZXKWVIFSA-N 446.246 5.038 30 40 IKEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2ccncc2)CC1 257292589 QMFFOKYAEOJLFP-UHFFFAOYSA-N 443.566 5.015 30 40 IKEB CC[C@H](C)Oc1c(Br)cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1OC 408932650 DEVGGOREJKHVCQ-RQSOKRQSSA-N 445.279 6.100 30 40 IKEB O=C(Oc1cccc(/C=N/Nc2nc(-c3ccccc3)cs2)c1)c1cccc(Cl)c1 408991144 ZGJONPQTCPFXSM-AFUMVMLFSA-N 433.920 6.129 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c([N+](=O)[O-])c1 409078220 HBBDFRAXSUHYBN-CFRMEGHHSA-N 436.468 5.122 30 40 IKEB Cc1cccc(-n2c(C)cc(/C=N\c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c2C)c1 409087694 ZIGVLWUMWSEGIP-VYZASOGQSA-N 429.633 7.237 30 40 IKEB Cc1c(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc2n1C 409093170 XSVCPAYAOSEMHM-DICXZTSXSA-N 431.561 5.701 30 40 IKEB CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(C(=O)OC)cc1 409153959 JDXVHLZUVJEJPT-GNPNYKALSA-N 447.560 5.633 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1 409199426 COYRNGPINGSJLT-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 409213335 SKSROUVBQMMQBW-AFUMVMLFSA-N 444.756 6.831 30 40 IKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 409217121 RZVSXWRSXGQIRA-UFFVCSGVSA-N 443.566 6.489 30 40 IKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409244186 ZCVKAZONJAQSAU-TWKHWXDSSA-N 428.620 6.904 30 40 IKEB CCOc1c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cccc1OC 409298504 ZLJCQWPFQDKSBP-UHFFFAOYSA-N 439.471 5.099 30 40 IKEB O=C(CO/N=C\c1ccc(OCc2ccccc2F)c(Cl)c1)Nc1ccc(Cl)cc1 409377463 IIWGOBGBTIBYPT-ZRGSRPPYSA-N 447.293 5.701 30 40 IKEB CCCCCCCOC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2062905 GERYNCYRCGOMNL-UHFFFAOYSA-N 441.138 5.410 30 40 IKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/c2c(Br)ccc3c2OCO3)cc1 3206610 XGCIWKABJLBPER-BRJLIKDPSA-N 448.272 5.702 30 40 IKEB CCCCCC#CC#CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1 8385773 NZNAYOKVPRPGJW-UHFFFAOYSA-N 439.643 8.312 30 40 IKEB O=C(C(=NNc1ccc(Br)c(Cl)c1)C(=O)c1ccccc1)c1ccccc1 8398478 JKNINRJEXKGGAU-UHFFFAOYSA-N 441.712 5.636 30 40 IKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(-c2ccccc2)cc1 8544620 JAWWFVQQVILJMR-RUZDIDTESA-N 431.535 6.291 30 40 IKEB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 8831562 ZOWAQPIHYWVBRX-OAHLLOKOSA-N 441.622 5.296 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1 9373813 CTGSYTYMMWJPPE-NRFANRHFSA-N 444.487 5.527 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 9433836 YQOXTSAJEXQPOE-QHCPKHFHSA-N 447.462 5.016 30 40 IKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(OC)c(OCC)c3)c12 12682923 NTSBTSRKQZNXBO-VAWYXSNFSA-N 449.938 5.740 30 40 IKEB CC[C@@H]1CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3c(C)ccc(C)c3c21 31778254 ZASYPLFQBLFUIG-ZCMXAENPSA-N 432.480 6.377 30 40 IKEB Cc1ccc(/N=C2\S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 100935590 LVRAFANJAQSBKR-YWROOUKNSA-N 429.501 6.020 30 40 IKEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102803086 XINCQOIJQABJQG-ZHHPLPSFSA-N 447.918 5.673 30 40 IKEB CCCCCCCCCC[C@H](C[N+](C)(C)C/C=C\c1ccccc1)[C@H](O)c1ccccc1 104333495 CREBIZUUDAOAQZ-NAMFSNHGSA-N 436.704 7.657 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 245241332 ANTLLZHQDMIOLB-WOTIJCTKSA-N 447.446 6.959 30 40 IKEB biogenic COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Br)c1OC(C)C 408529543 IMWYMJCTDVBMAB-BOPFTXTBSA-N 447.354 5.137 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(C(=O)O)c3C)c3ccccc32)c1 408544820 XSJGMZJCZKHAQO-MZJWZYIUSA-N 426.472 5.233 30 40 IKEB Cc1cc(C)c(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)c(C)c1 408574962 HCZWABMTBWPHPS-UHFFFAOYSA-N 425.484 5.092 30 40 IKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 408691896 WTMUSJKEHDKRQK-XYOKQWHBSA-N 432.317 6.104 30 40 IKEB C=CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 408904930 QPXJBJIIGPSTRA-LDADJPATSA-N 441.325 5.219 30 40 IKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccc(N4CCCC4)cc3)sc3c2CCCC3)cc1 409051171 BGJNKODNPGNFQE-MTDXEUNCSA-N 443.616 6.538 30 40 IKEB C=CCOc1c(I)cc(CNc2cccc(C)c2C)cc1OCC 409111179 BCLZRUKSOHAZEF-UHFFFAOYSA-N 437.321 5.484 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1Br 409111653 DRGBLJWIOHPQRI-UHFFFAOYSA-N 425.164 5.951 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 409218908 YEZSEQHGQCJJQI-DHRITJCHSA-N 428.757 7.049 30 40 IKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1 409314861 STZUXWDFCHICTC-MRXNPFEDSA-N 449.352 5.345 30 40 IKEB O=C(c1c(F)cc(Br)cc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243232 WNJMUJFAHYZGML-UHFFFAOYSA-N 439.018 5.378 30 40 IKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#Cc4ccccc4)[C@@H]3CC[C@@H]2C1 2049238269 AXNNSHMUJUSTKY-BAKLNWNLSA-N 434.620 5.744 30 40 IKEB COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC 709515 OJVSDPMGDOHGSH-WXTAPIANSA-N 426.516 5.683 30 40 IKEB CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)cc1 992179 PRHZXBLIJBDRNO-MAVBTGMRSA-N 429.973 5.191 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(Nc3cc(C)cc(C)c3)=NC2=O)cc1OCC 2176004 KODLHJUTWZDHFO-MOSHPQCFSA-N 440.952 5.450 30 40 IKEB FC(F)c1cc(C(F)F)n2nc(-c3nnc(-c4cccc(C(F)(F)F)c4)o3)cc2n1 2803456 ADZARTUVEXBPMY-UHFFFAOYSA-N 431.271 5.340 30 40 IKEB COc1ccc(/N=C/c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)cc1 3080548 CIOPXMQRLGXNHA-MWAVMZGNSA-N 435.523 6.573 30 40 IKEB Cc1cc(C)c(/N=C(\NCCNCc2ccccc2)Nc2c(C)cc(C)cc2C)c(C)c1 3428914 BXPCQMGPPJSJEJ-UHFFFAOYSA-N 428.624 6.016 30 40 IKEB CC1(C)Cc2ccccc2C2=CC(C(F)(F)C(F)F)=C/C(=C3/C=C([N+](=O)[O-])C=CC3=O)N21 3771101 PJAGWYHVPNFKQB-HTXNQAPBSA-N 446.400 5.058 30 40 IKEB Cn1c(-c2ccccc2N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)nc2ccccc21 4714762 VBQURYDSCJHWGG-UHFFFAOYSA-N 425.576 6.841 30 40 IKEB N#Cc1c(-c2ccco2)cc(C2CC2)nc1SCC(=O)c1ccc(Br)cc1 6189564 ZFNKKZWXZRYQKR-UHFFFAOYSA-N 439.334 5.828 30 40 IKEB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1Cl 8832417 AJMONCFSEKMSNE-UHFFFAOYSA-N 443.783 6.093 30 40 IKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/N1CCOCC1 8984096 JCQBVOJAZNDGLZ-DFKUXCBWSA-N 446.554 5.734 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 9015442 GGQVKOBJGQNUHL-AIIPKAINSA-N 440.455 5.086 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccc(Cl)cc1 9034254 UOXIRNHFYZRJQK-XODNFHPESA-N 441.749 7.093 30 40 IKEB O=C1c2cccc3cc(/N=C/c4c(O)ccc5ccccc45)cc(c23)C(=O)N1c1ccccc1 13550214 ICEPYVXQZPLVBA-OCSSWDANSA-N 442.474 6.250 30 40 IKEB N#C[C@H](c1nc2ccccc2nc1SCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 32828850 YOUIATDARXTJFT-OAQYLSRUSA-N 449.532 5.100 30 40 IKEB FC(F)(F)c1cccc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn23)c1 59442802 MJJKQVJGQLVIFP-KKMKTNMSSA-N 434.248 7.078 30 40 IKEB CCCCCCCCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2CCCCCCCC)cc1 100023035 NWIFRDQEAOJOGK-ILBGXUMGSA-N 428.661 7.102 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 102609751 CKNKAYBXZNYPSZ-MRJHHRETSA-N 448.862 5.183 30 40 IKEB CC1=Nc2cc(Cl)c(Cl)cc2N(C)/C1=C\C1=C(Cl)C(=O)c2ccccc2C1=O 104200845 XKFQSLPTTUGNBQ-IDUWFGFVSA-N 431.706 5.992 30 40 IKEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224945391 WWEAJDDFECVLBA-UHFFFAOYSA-N 436.744 5.045 30 40 IKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1O 408915612 YXDXDDIJLMXQMQ-JUMVDPBBSA-N 430.529 5.826 30 40 IKEB COc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1c(C)cc(C)cc1C 408979659 NVAUEIQLXANPPA-UHFFFAOYSA-N 449.554 6.382 30 40 IKEB C=CCOc1cccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)c1 409016046 BEJLRVSAICKIPV-JMIUGGIZSA-N 444.314 5.435 30 40 IKEB Fc1ccc(COc2ccc(/C=N/n3c(S)nnc3-c3ccccc3)cc2Cl)cc1 409053657 GSGYOAHPLDMGBG-DHRITJCHSA-N 438.915 5.488 30 40 IKEB CC(C)(C)[C@@H]1C[C@@H](C(C)(C)C)[C@@]2(C(=O)OC3=C(C2=O)[C@@H](C(C)(C)C)C[C@@H]3C(C)(C)C)C1=O 409066050 VMDSRARXVSWQPD-DFONKUQQSA-N 444.656 6.379 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 409092871 WKWFBZOUUFKCIQ-SXZIKPQKSA-N 426.969 6.165 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 409184357 KSNQHWQJAMAVDY-HAHDFKILSA-N 431.561 5.693 30 40 IKEB COc1cc(/C=N/c2ccccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409216846 MDVBXSQTTRAPDE-LGJNPRDNSA-N 430.382 6.474 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(CC)cc1 409358773 GPAJDWCATCTSJE-UHFFFAOYSA-N 438.622 5.191 30 40 IKEB Cc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc2n1C(C)(C)C 1531383825 ADNDRVOSUPXJOR-RDRPBHBLSA-N 434.543 5.964 30 40 IKEB O=C1ON(c2ccccc2)[C@@H](c2cccc3ccccc23)N1c1ccc(Cl)c(Cl)c1 2442072 GZCATTISNWQGAU-QHCPKHFHSA-N 435.310 7.224 30 40 IKEB O=C1Nc2ccccc2/C1=N/c1ccccc1-c1ccccc1/N=C1\C(=O)Nc2ccccc21 3124547 FIUFUPNTHKBNGU-UHFFFAOYSA-N 442.478 5.499 30 40 IKEB C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1C1CCCCC1 3433676 HIRCSJDLYBKVKG-UHFFFAOYSA-N 434.993 5.213 30 40 IKEB N#C[C@H]1CC(c2ccc(Br)cc2)=NN1c1c(F)c(F)c(Cl)c(F)c1F 8436872 YAKPJLAZXNJRPL-SECBINFHSA-N 432.602 5.165 30 40 IKEB CC(C)C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Oc2ccccc2)c1 12856315 BEFUWMVQNXRZDW-ACSYHNTCSA-N 438.571 7.337 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)c1ccccc1 12876932 RSZHYTMCURJIHZ-FTIQDDARSA-N 434.576 5.561 30 40 IKEB biogenic Brc1ccc(OCc2ccccc2)c(/C=N/Nc2nc3ccccc3s2)c1 13940987 BAYRRXGVQGRRQA-YDZHTSKRSA-N 438.350 6.084 30 40 IKEB C/C(=N\OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cc2ccccc2o1 14359787 KMUYFIQEJOIJCP-SGWCAAJKSA-N 426.516 5.445 30 40 IKEB COc1ccccc1CN/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 20763051 KTBMTRSIRRKNHZ-LGJNPRDNSA-N 445.346 5.713 30 40 IKEB COc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccccc4)c(C)s3)cc2)cc1 59193855 YDLARVMLJJTIHA-WGOQTCKBSA-N 443.528 5.792 30 40 IKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)cc1C 101650288 XSXWAWOVUMWUCU-CLXZYQIKSA-N 436.364 5.200 30 40 IKEB COc1ccc(NC(=O)c2c(/N=C/c3sccc3C)sc3c2CCC3)c(OC)c1 101892741 ODRMOBITXDUGII-FSJBWODESA-N 426.563 5.627 30 40 IKEB Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(C)C)cc1C 102961090 CMXAGOVCKWZHEI-KHUIZHDGSA-N 427.545 5.059 30 40 IKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1Cl)C2=O 257345318 FYAPPFWDCSJLLT-WZAZXKHBSA-N 445.430 6.880 30 40 IKEB COc1cc(/C=N/c2ccccc2F)ccc1OC(=O)c1sc2ccccc2c1Cl 408734211 DKFQZPDCWMPUAX-LGJNPRDNSA-N 439.895 6.672 30 40 IKEB CCOc1cc(C)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1C(C)C 408963087 MKMOEAFZRQEKJI-YBFXNURJSA-N 449.403 6.716 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(-c2ccc(F)cc2)o1 408975438 KHUWEIPCCWEHJL-MUUNZHRXSA-N 437.514 7.548 30 40 IKEB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)o2)cc1 409007591 POFODUVTAZDBEG-BKUYFWCQSA-N 432.501 5.242 30 40 IKEB CCn1c2ccccc2c2cc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)ccc21 409084107 WNDJGTBTVFWPNS-WMMCOQJOSA-N 439.628 7.649 30 40 IKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409207967 ADJZTWQBVCRWGN-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(Cl)c1 409208651 DKZUQMKSNVXGJK-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccccc1 409351366 TZTSBGSUQTZASR-AWEZNQCLSA-N 447.391 5.554 30 40 IKEB CC[C@H](C)Oc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384817 LZADNALUYMXDJB-MXEPNMHZSA-N 447.538 6.276 30 40 IKEB COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3F)n2)c1 662160 TUCPXODRVCCRDS-UHFFFAOYSA-N 427.888 5.152 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1 851171 NUCGYUZQUBVKPA-UHFFFAOYSA-N 447.869 6.023 30 40 IKEB C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nc2sc3c(c2c1=O)CCCC3 943181 OILNIBCSBOHGCU-UHFFFAOYSA-N 449.601 5.288 30 40 IKEB CCOc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 1603625 RHBJDNWOLLLJHZ-HXNPFYCNSA-N 428.557 5.758 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc(Cc3ccccc3)cc2)c2ccccc21 2205724 XKKXPGMMSLTORG-GDLZYMKVSA-N 431.560 7.144 30 40 IKEB CCCCCCCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 2737641 WAVKUJSQPJGFNU-UHFFFAOYSA-N 439.397 6.755 30 40 IKEB N#Cc1cc(C(=O)c2cccs2)c(C(F)(F)F)nc1SCCCN1CCCCC1 9355635 TWWQLKYIAKVWQV-UHFFFAOYSA-N 439.528 5.233 30 40 IKEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 9587984 AGENGHALSWCYOG-UHFFFAOYSA-N 441.557 5.253 30 40 IKEB C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)nc2ccccc21 11650450 YAESIGUITAGELE-UHFFFAOYSA-N 434.590 5.964 30 40 IKEB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\Nc1ccc(Cl)cc1Cl 17106709 OTRHENSUVFJNDC-BBLWWAFUSA-N 444.233 8.752 30 40 IKEB CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1[C@@H](C)c1ccccc1 20392407 PKQMGLPIULAKDM-LBPRGKRZSA-N 432.408 5.988 30 40 IKEB O=C(C1=CN(c2cccc(Br)c2)c2ccccc2S1(=O)=O)c1ccccc1 32984133 PZGBXDDQZMIISX-UHFFFAOYSA-N 440.318 5.099 30 40 IKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1ccc(Cl)cc1 59193632 DMNXPXMPEVSMPT-AFUMVMLFSA-N 433.920 6.129 30 40 IKEB Cc1cccc(C)c1/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CC(C)C 102961270 SMWHTHHULFQKPC-YXKKDJNZSA-N 427.545 5.059 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1O 104364971 WNACIALNKLPCHY-WEMUOSSPSA-N 447.733 7.452 30 40 IKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 118919131 UOCUEIOMIAYZNI-MNHUVQJMSA-N 428.613 5.468 30 40 IKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 408863788 UJMQKLILDHWRFW-GGYAHKELSA-N 428.960 6.662 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2Cc2ccccc2)cc1 408909529 DKVZPOBOVJPBBY-MDISCOTOSA-N 436.939 6.592 30 40 IKEB Cc1ccc(Sc2oc(/C=N\c3ccc(Cl)c(Cl)c3)cc2Br)cc1 408914006 WYUIBUIBEKAAHN-YVNNLAQVSA-N 441.177 7.559 30 40 IKEB COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408938088 KJJBANPKBSNGBJ-CKOXOFLMSA-N 430.551 7.426 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(OC)c1OC 408938789 RPHGNXZYNHJXIC-DWZGDGSMSA-N 440.543 6.290 30 40 IKEB C=CCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1Br 408992280 SSIXHFIETCCLKU-UHFFFAOYSA-N 431.355 5.660 30 40 IKEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 409095690 IDXWSFZHDVRAQJ-ZMOGYAJESA-N 426.860 5.067 30 40 IKEB C=CCOc1c(I)cc(CNc2cccc(Cl)c2C)cc1OC 409125726 AQRCOBIVPILPEH-UHFFFAOYSA-N 443.712 5.439 30 40 IKEB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1cccc(F)c1 409203935 ZHNXOCPLHCIJDA-DHRITJCHSA-N 428.301 6.235 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)cc(I)c2O)c(C)c1 1058664 FCDVGNSNPXXYGR-QGMBQPNBSA-N 430.083 5.127 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C 2093014 XYNRMYPDJUIFHA-YWROOUKNSA-N 429.501 6.020 30 40 IKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1 2296713 GUZYPJMBECRBKG-HSZRJFAPSA-N 425.569 5.423 30 40 IKEB C=CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 2619903 GSQNYPQHYUVFIJ-UHFFFAOYSA-N 440.572 5.129 30 40 IKEB CCOc1cc(Br)c(Br)c(/C=N/c2ccc3ccccc3c2)c1O 3139709 ATEICDDRJGMKSE-SSDVNMTOSA-N 449.142 6.220 30 40 IKEB CCOC(=O)c1sc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1C 3260898 XGHJOALDIHPXDX-CNHKJKLMSA-N 447.148 5.214 30 40 IKEB Cc1ccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)c(Br)c1 6195157 OLBSLCGHKQSGQJ-DWNWEZKESA-N 446.395 5.361 30 40 IKEB COc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(OC)c4)cc3)cc2)c1 8398505 REABBRDBSQZLRC-CZYCKNNWSA-N 436.511 6.997 30 40 IKEB COc1ccc(-c2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc2OC)cc1 9948987 ARTJZGPJWCPANL-UHFFFAOYSA-N 434.495 6.162 30 40 IKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC=C)cc2)cc1 12194251 SIXRAWDDQDJTPY-IXCJQBJRSA-N 438.527 6.059 30 40 IKEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 13147975 WTCGDZPSPLEHQS-JOCHJYFZSA-N 430.964 6.123 30 40 IKEB CCOc1cc(/C=N/Nc2ccc(Br)cc2)cc(Br)c1OCC 13914255 ZZFVBBVWTQAVBG-RGVLZGJSSA-N 442.151 5.455 30 40 IKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OC(=O)c4cccc(Cl)c4)cc3)n2)cc1 14257490 GLVYJESJHVTGDT-VULFUBBASA-N 447.947 6.437 30 40 IKEB Cc1ccc2nc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)oc2c1 15134393 WAKFQSCGSYXWTC-BRJLIKDPSA-N 435.321 6.639 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 16401743 OTMRTXZTKLMUNW-FMCGGJTJSA-N 444.260 5.521 30 40 IKEB C=CCn1c(SCc2nnsc2Cl)nc2sc(-c3ccccc3)cc2c1=O 21665316 SXOJOGSXASEZQE-UHFFFAOYSA-N 432.983 5.108 30 40 IKEB N#Cc1cccnc1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 32907702 YZZQUDONAWGJIY-UHFFFAOYSA-N 428.304 5.311 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1F 35362045 JVYASTIWKCZDER-UHFFFAOYSA-N 437.327 5.308 30 40 IKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1c2ccccc2cc2ccccc12 59566622 LOESAQALWJQRCG-BKUYFWCQSA-N 449.362 7.191 30 40 IKEB CCN(CC)c1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccc(C)cc2)cc1 72314754 IAIRBFSTVDVFID-HMMYKYKNSA-N 434.583 7.261 30 40 IKEB Oc1ccc(/N=C/C=C/c2cccc(Br)c2)cc1-c1nc2ccccc2s1 100497211 AZIFYQDMFJNOQK-UAZDYKOFSA-N 435.346 6.847 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 102609744 CKNKAYBXZNYPSZ-JBCNATCCSA-N 448.862 5.183 30 40 IKEB O=C1C=C2C(=N[C@@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 102695575 WCSNDIBBXOJAOR-ZBKIVJSUSA-N 442.562 6.597 30 40 IKEB C=CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C(C)(C)C)CC1 257305124 SONKSCDFUFFFLO-UHFFFAOYSA-N 432.608 5.162 30 40 IKEB COc1cc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc(OC)c1OC 408722919 OJMDAIPFLCZEAS-JVWAILMASA-N 444.556 6.562 30 40 IKEB CN(C)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408739253 AJSVUSHGURFQKM-AWSUPERCSA-N 441.578 7.628 30 40 IKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(C2CCCCC2)C1=O 408915698 ZLYWMIPJBWZHRS-WEOUEGTISA-N 448.632 6.975 30 40 IKEB COc1cc2c(cc1/C=C1/S/C(=N\C3CCCCC3)N(C3CCCCC3)C1=O)OCO2 409071574 KGLYGXZGXBNVOY-HTQRFZLASA-N 442.581 5.362 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)S/C(=N\c2ccccc2)N1c1ccccc1 409101943 BZYLSEIFXNYOIC-ULVCWHGLSA-N 443.547 6.235 30 40 IKEB CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1OCC(=O)O 409211228 NCVDGPGXDAUTEP-NLOAGFHQSA-N 440.565 5.383 30 40 IKEB CCOc1c(Cl)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 409403492 MIRHHUDSRMXZKM-UHFFFAOYSA-N 433.895 5.006 30 40 IKEB C/C(=N/OC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 901739 SSXOHEQGAJMMCH-ROTLSHHCSA-N 437.468 5.283 30 40 IKEB O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccc(-c2ccccc2)cc1 2054459 XQKHDZPJIHPNDM-ITYLOYPMSA-N 434.516 6.902 30 40 IKEB C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)c(C)cc1C 2638479 CRRFRRVRBZDTPZ-UHFFFAOYSA-N 425.529 5.082 30 40 IKEB CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 4062241 RPJYQERFYOCLIV-PPHZAIPVSA-N 444.962 6.718 30 40 IKEB CC(=N/OC(=O)C12CC3CC(CC(C3)C1)C2)/C(C)=N\OC(=O)C12CC3CC(CC(C3)C1)C2 8395908 DIGAZVHUSLZPCJ-USYBVIFISA-N 440.584 5.257 30 40 IKEB C=CCN(Cc1ccc(Br)s1)c1ncnc2sc(-c3ccccc3)cc12 13149351 ZECNYXLRWOZIKQ-UHFFFAOYSA-N 442.407 6.375 30 40 IKEB CC(C)(C)c1csc(N2N=C(c3ccccc3)/C(=N\Nc3ccc(Cl)cc3)C2=O)n1 13601498 ZJLLTRLQOBOFHJ-LGUFXXKBSA-N 437.956 5.313 30 40 IKEB COc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 13756657 ZYEATRUJSVVDHW-FKIVBMLTSA-N 431.539 6.802 30 40 IKEB CCCCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1nc2c(Cl)cccc2s1 16639067 IDRMWPKNUVIWBO-MQGIHEMASA-N 428.941 5.972 30 40 IKEB Fc1ccc(/N=C/c2cc(Br)c(I)o2)cc1Cl 59104405 LFPGPDWQSADMCA-FZSIALSZSA-N 428.426 5.190 30 40 IKEB O=C(Oc1ccccc1/C=N/c1ccc2ccccc2c1)c1sc2ccccc2c1Cl 59500723 OVFHRQYMOSYSFX-LQKURTRISA-N 441.939 7.678 30 40 IKEB CCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cn3)cc2)cc1 97994385 PHBZGGGDWKTDEL-UHFFFAOYSA-N 427.676 9.441 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4cccs4)[C@H]3c3ccccc3)sc2c1 102498599 LLWBFZLYYIWVKT-QOJBNDRUSA-N 446.553 5.601 30 40 IKEB C[C@@H]1CCCC/C1=N\Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 102983129 XILSPTHKPGEFQZ-AJMWVYNUSA-N 436.921 5.027 30 40 IKEB CCOc1ccc(/C=C2/C[C@@H](C)C/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC 245309125 BJDCCWRIZUGCMN-FEUMLFTPSA-N 436.548 5.967 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)c1 408544413 SVTKIDPRIUWBNP-LGJNPRDNSA-N 447.878 5.788 30 40 IKEB C=CCOc1c(CC=C)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC 408764876 TZVMBFRJCICION-QJOMJCCJSA-N 448.588 5.833 30 40 IKEB C=CCc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc(OCC)c1O 408819249 YRXXVUTZWWXSBW-UHFFFAOYSA-N 429.949 5.244 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(OC)c1 408909576 VIRQWYGGWLVQLB-HUOZHCEOSA-N 430.529 5.508 30 40 IKEB CC/N=C1/S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1CC 408931333 KDXQKBVLRBNLLS-LVKIEVKJSA-N 435.376 5.885 30 40 IKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1O 408934605 BKOAEVMCLLJQFL-WJDUCIJSSA-N 430.935 6.631 30 40 IKEB Cc1ccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)c1 408961151 ASRFHFCDPJBBTA-XDHOZWIPSA-N 442.371 6.293 30 40 IKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccccc1Cl 409113976 JYBFFJAUWAMBTD-UHFFFAOYSA-N 435.995 7.275 30 40 IKEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 811243 DAQQPSMGULWCMY-YADARESESA-N 435.951 5.653 30 40 IKEB C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 2292582 ZJRUPOJROHCWEQ-UHFFFAOYSA-N 442.628 6.634 30 40 IKEB biogenic C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1OC 2454430 CVQJHZJBNGFBEM-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1 2796779 QELPQVZNPVKPDI-NRFANRHFSA-N 446.513 5.322 30 40 IKEB Cc1ccc2nc(N/C(=N/S(=O)(=O)c3cccs3)c3ccccc3Cl)sc2c1 13637464 AFYKSRZKQNSDIX-UHFFFAOYSA-N 447.994 5.567 30 40 IKEB N#Cc1c(-c2cccnc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(Cl)cc1 16492612 VPNJEXMOFQVNGT-UHFFFAOYSA-N 441.943 6.311 30 40 IKEB C(=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1)\c1ccc(OCc2ccccc2)cc1 59461377 FVGCLJVNGAORAS-DWYQAMBJSA-N 428.513 6.456 30 40 IKEB FC(F)(F)c1cccc(Nc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1 95691960 BVMKDTQJUXTKIQ-UHFFFAOYSA-N 425.254 6.430 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C/c2cc3c(cc2Cl)OCO3)sc2c1CCCC2 100395211 FJIPJVVYUPQDGD-KIBLKLHPSA-N 442.924 5.283 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 102926895 RLAGPHLQUNLSAP-HFEWCJDKSA-N 440.524 5.539 30 40 IKEB CCCCCC[C@@H](C)S(=O)(=O)OCCCCOS(=O)(=O)[C@H](C)CCCCCC 104334391 PWGDFQHQYGXQCY-WOJBJXKFSA-N 442.684 5.177 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 245228662 BKFIBDWKIPCPQA-WPFPZGBOSA-N 441.597 5.755 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)SC1=Nc1ccccc1 260569763 RUBFAVPGNPBNRC-YOIRLTMBSA-N 431.605 6.251 30 40 IKEB COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1C 408724665 AVJVHYDKVMVOPV-LMTJQJACSA-N 428.557 5.676 30 40 IKEB C=CCOc1c(CC=C)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408771162 FSMQEDRKTGLAHK-YVVITCHPSA-N 436.577 5.151 30 40 IKEB C=CCc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(OCC)c1O 408852762 IBCQALOCQQGFEV-BOPFTXTBSA-N 449.359 5.718 30 40 IKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 408863791 UJMQKLILDHWRFW-KULRBVGASA-N 428.960 6.662 30 40 IKEB Cc1cc(/C=N\c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 408931002 FXRVBSZOBOTUPX-OFWBYEQRSA-N 435.571 6.348 30 40 IKEB O=[N+]([O-])c1cccnc1N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409070833 MEGUWZUGAIGDLP-OPEKNORGSA-N 440.290 5.746 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 409092335 UPVVBTNQPMSLPQ-MOSHPQCFSA-N 434.835 5.172 30 40 IKEB C=CCc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(C)cc1 409098613 OKLOTKSILFMVCK-JVWAILMASA-N 446.507 5.450 30 40 IKEB C#CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1Br 409109936 OEHYVQGUWGGEKV-UHFFFAOYSA-N 443.566 5.798 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc2ccccc12 409217096 RNGAZWCEEDQTNP-MUFRIFMGSA-N 429.947 7.448 30 40 IKEB C=CCn1c(SCCCC(=O)Nc2c(C)cccc2C)nc2sc(C)c(C)c2c1=O 2619515 AVQKYXBIHPFUKL-UHFFFAOYSA-N 441.622 5.389 30 40 IKEB Cc1ccc(-c2c(C#N)c(SCC(=O)OCc3ccccc3)nc3c2CCCC3)cc1 8443120 CCRRLMDWDJZBJU-UHFFFAOYSA-N 428.557 5.643 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccc(Cl)c(Cl)c1 9418653 JVZYDENHLLYYBO-UHFFFAOYSA-N 439.289 7.238 30 40 IKEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(Cl)c1C 14133277 BJWFZLOPUMYJPO-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccc3c(c2)OCO3)cc1 18196673 MYOJHVPITZDGNY-XMMPIXPASA-N 441.531 5.418 30 40 IKEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccccc1Cl 20503269 IMRSGLGDIAWKDK-RUZDIDTESA-N 447.922 5.552 30 40 IKEB C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nc2sc(C)c(C)c2c1=O 22984879 PJUJGIWGYIYUCV-UHFFFAOYSA-N 438.521 5.163 30 40 IKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 44858875 SBCWZBATADVKQB-XMMPIXPASA-N 440.547 5.410 30 40 IKEB CCOC(=O)c1c(C)c2ccccc2n2cc(CSc3nc4ccccc4o3)c(C#N)c12 48229473 COPIDZZQCVKSRX-UHFFFAOYSA-N 441.512 5.883 30 40 IKEB C=CCn1c(-c2ccc(SC)cc2)c(-c2ccccc2)s/c1=N/c1ccc(C)cc1 100380032 XJRXRAPMVHSRBZ-CYYJNZCTSA-N 428.626 7.332 30 40 IKEB CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1O 100502194 VPDUYAZYMYLVJF-WYMPLXKRSA-N 438.281 5.507 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C/C(=N/O)[C@]4(C)[C@@H]([C@@H](C)OC(C)=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118922814 LVLQUIZWMULUMY-DLSQQDAVSA-N 447.616 5.359 30 40 IKEB O=C1/C(=N\Nc2cccc(C(F)(F)F)c2)c2cc(C(F)(F)F)ccc2N1C1CSC1 223744892 ZEPNBWMXHRRPGV-YUMHPJSZSA-N 445.388 5.002 30 40 IKEB C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 408845516 KBOFAUGUUOVDKD-PKAZHMFMSA-N 446.572 6.203 30 40 IKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 408860607 ZYZOHHRGUNKLFL-UCQKPKSFSA-N 444.943 6.547 30 40 IKEB COCCCN1C2=C(C(=O)CCC2)C(c2cn(C(C)C)c3ccccc23)C2=C1CCCC2=O 408900662 ZLEQXQKTOTXZJL-UHFFFAOYSA-N 446.591 5.672 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c([N+](=O)[O-])c1 408922615 FNIBUXBGVSTSRE-MFKUBSTISA-N 442.431 5.681 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(Cl)cc1 409091178 QBHFXMFFPHFGSY-PXRDWJKMSA-N 425.768 6.661 30 40 IKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Br)cc1 409099970 SFUPHAVFAVTWAJ-MRUKODCESA-N 437.263 5.716 30 40 IKEB C=CCOc1c(Br)cc(CNc2ccccc2CC)cc1Br 409117944 RRZSLJHZVBDVMQ-UHFFFAOYSA-N 425.164 5.951 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 409202494 REVAGPYEWIDAGB-VULFUBBASA-N 439.895 5.775 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409211074 MLCKFQTWGCGBBG-MFKUBSTISA-N 443.952 5.874 30 40 IKEB Cc1ccc(COc2ccccc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531383936 AXVHYTKBFDUVHU-NDZAJKAJSA-N 445.522 5.833 30 40 IKEB CC1([C@](O)(C#CC[N+]2(Cc3ccccc3Cl)CCCCC2)c2ccccc2)CCCC1 1769796 XTJXAOZIKNZHHU-NDEPHWFRSA-N 437.047 6.312 30 40 IKEB Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 3169685 YUUXIUNZOKQLPF-VULFUBBASA-N 443.300 6.867 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N\c1ccccc1 9264613 XMTUERJUKQHQAP-HXNPFYCNSA-N 445.588 6.117 30 40 IKEB CCCCCOc1ccc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1 9280225 DXQNTEPCEQCWIV-ZTKZIYFRSA-N 443.978 7.512 30 40 IKEB COc1ccccc1/C=C/C=C1\Oc2c(ccc(O)c2CN(CC(C)C)CC(C)C)C1=O 13655116 BCLQDRIPSAGUPP-RVSCEFSYSA-N 435.564 5.687 30 40 IKEB Cc1oc(/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C#N)c1C 14134479 PJXFSKRQYOCSGA-KVSWJAHQSA-N 436.342 7.137 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc4ccccc34)c2C#N)C1 14271532 NQCHOKSMFSDTND-MRXNPFEDSA-N 447.629 6.051 30 40 IKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)sc1C 17147244 NUEIDWCSJXAJPD-INIZCTEOSA-N 430.938 5.258 30 40 IKEB CCCCc1ccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccccc32)cc1 32984188 IVGVAQUUBDCXKO-UHFFFAOYSA-N 447.556 5.688 30 40 IKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 225752805 GMOBLELBXUOXAQ-HNNXBMFYSA-N 431.363 6.493 30 40 IKEB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=Nc4cccc(C)c4)NC3=O)c2C)cc1 408742776 PWSNPWPMRIFVSL-HYARGMPZSA-N 445.544 5.081 30 40 IKEB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409302783 KKHKAGIHBATASE-BUVRLJJBSA-N 445.540 5.741 30 40 IKEB CC(C)(C)C(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 2158811 XBZDKGOIOSFKFB-UHFFFAOYSA-N 433.555 6.727 30 40 IKEB Oc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(O)cc4O)cc3)cc2)c(O)c1 4178081 RKFJKEKDCJPASA-DPCVLPDWSA-N 440.455 5.803 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 4534359 FVWJYYTZTCVBKE-ABHPCVNUSA-N 442.728 6.997 30 40 IKEB biogenic COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccco2)cc1 6498940 VKWBHSAKGOIDEP-QYBDOPJKSA-N 428.488 5.209 30 40 IKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 12274893 WMCOBNAYLPJQBY-LICLKQGHSA-N 449.746 6.798 30 40 IKEB N#CC1(C#N)[C@H](c2ccncc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21 16034236 OXCIYJZVMDHYKH-RBZQAINGSA-N 436.902 5.019 30 40 IKEB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N/Nc1ccc(Cl)cc1Cl 17106711 OTRHENSUVFJNDC-RXLQJOSGSA-N 444.233 8.752 30 40 IKEB Cc1ccc2nc(-c3cc(/N=C\c4ccc(OCc5ccccc5)cc4)ccc3O)oc2c1 18066319 XKJWGLWDKVKGIC-RHANQZHGSA-N 434.495 6.838 30 40 IKEB COc1cc2c(c(OC)c1)[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 18199345 IWUHSSUOZXNABM-IBGZPJMESA-N 432.289 5.170 30 40 IKEB CC(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 19630557 GJFOYWNHYWJOJO-QGZVFWFLSA-N 439.650 6.021 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C 19643810 PVKTZYSQXFLDJZ-FNZWTVRRSA-N 445.559 5.399 30 40 IKEB Cc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 19647406 IKLBZVHMXYKIIN-IDISGSTGSA-N 448.526 5.795 30 40 IKEB CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1 20196499 YSNFNOSSDCPSNI-OGLMXYFKSA-N 434.536 5.114 30 40 IKEB C=CCn1cnnc1SCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OCC 25253696 TUBBHVUIRLEXFM-UHFFFAOYSA-N 430.533 5.148 30 40 IKEB COc1cccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 59463788 QOAYAOIWFPHPFI-CVKSISIWSA-N 443.528 6.761 30 40 IKEB O=C1/C(=N\c2cccc(Cl)c2)C[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 104358569 OYOJRJRPTJFBDY-JDFKBJJRSA-N 429.734 6.898 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)CCC[C@H]5[C@@H]4CC[C@@H]3C2)cc1 118914865 DJKUHJBPRWSFHW-AQQMIEIISA-N 430.654 6.502 30 40 IKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@@]21C 118923923 SUISKBUAOOSHAW-OKPWIAFFSA-N 444.612 5.265 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 260572368 UWUQGAZVPHEQAX-HOOGSHDOSA-N 445.632 6.639 30 40 IKEB C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl 408572402 RARHHEQGVHJVHF-HXUWFJFHSA-N 444.944 5.212 30 40 IKEB C#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 409019019 VGXPHGBWIDJRTJ-TURZUDJPSA-N 442.584 6.422 30 40 IKEB CCCCCCCCOc1ccc(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 409048457 ORHCWDPQBOJINT-IMRQLAEWSA-N 434.605 7.213 30 40 IKEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O 409170277 VAUOCNAIDRBYAG-QRVIBDJDSA-N 444.487 5.513 30 40 IKEB COc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 409201291 LBOVKMJDEZUGPS-DHRITJCHSA-N 444.300 5.935 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2cccc(C)c2C)cc1 409212008 PDBNBUDEMJLCCZ-WPWMEQJKSA-N 429.541 6.283 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc12 409213116 SKBNMQKYFIRLBT-STBIYBPSSA-N 429.947 7.530 30 40 IKEB CC[C@H](C)n1c(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409297179 SGVJXOYQATZIGA-IBGZPJMESA-N 440.591 6.561 30 40 IKEB COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(Cl)c3Cl)n2)c1 662171 IUNUTQZWCFMOIC-UHFFFAOYSA-N 444.343 5.666 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 781285 VNTBBYYGWZQXCW-SBUREZEXSA-N 437.561 5.015 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 1437504 FZWFXQJDLNGVJB-DCFHFQCYSA-N 439.515 6.191 30 40 IKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 2274702 WKLMCIKLHYAYLD-UHFFFAOYSA-N 440.678 7.087 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(-c4ccccc4)noc3C)c2C#N)C1 2757211 WGRKUFMHQURTPG-QGZVFWFLSA-N 433.577 6.377 30 40 IKEB Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 3104529 IFUYCCUUDPYIAM-UHFFFAOYSA-N 445.327 5.259 30 40 IKEB N#Cc1c(-c2cccs2)cc(-c2ccc(C(=O)O)cc2)nc1SCc1cccs1 8742319 ABWVOEQCDGMVPF-UHFFFAOYSA-N 434.567 6.401 30 40 IKEB CCOc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 8915575 ZSBOCSJLGCTJOY-HMMYKYKNSA-N 429.472 5.667 30 40 IKEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 12250947 WTACJEOAJDKNFF-UHFFFAOYSA-N 444.585 5.471 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 18324068 HVSHJMSHWGEBHG-VWLOTQADSA-N 446.635 7.209 30 40 IKEB C=CCn1c(SCCCC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 20169473 KYKPINDIWLUWJZ-UHFFFAOYSA-N 425.623 5.095 30 40 IKEB CCCCCCOc1ccc(/C=C\C(=O)/C=C\c2ccc(OCCCCCC)cc2)cc1 77051464 XKEDONQIWMPPPP-WHYMJUELSA-N 434.620 7.901 30 40 IKEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1 102553296 SQPCACGGUYLTEZ-MRJHHRETSA-N 448.316 5.384 30 40 IKEB N#Cc1c(N)nc(SCc2ccc(Br)cc2)nc1Cc1ccc(Cl)cc1 223669127 JYQJDUAEBWEDJV-UHFFFAOYSA-N 445.773 5.229 30 40 IKEB C=CCOc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 225936048 ZJWRXSHHGRISMJ-UHFFFAOYSA-N 433.551 6.419 30 40 IKEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1ccc(/N=N\c2ccccc2)cc1 408534867 MSOQNJXMIDHVKS-YOROTWAESA-N 445.866 5.357 30 40 IKEB Cc1c(Cl)cccc1NC(=O)COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 408574714 CDDNGBFNKKHLFX-UHFFFAOYSA-N 431.875 5.129 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 408756741 UFVDRDPYZHXITN-ZHZULCJRSA-N 438.593 5.887 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1 408760794 GDCMTYDGCBXBKM-YZSQISJMSA-N 430.529 5.040 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)NCc1ccccc1 408800816 POOZBVHAVFRSQW-QDTIIGTASA-N 446.856 5.805 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C(C)C)c(OC)cc1C 408839867 AZKQYGYQJXESTE-QHCPKHFHSA-N 431.532 5.259 30 40 IKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl 408938616 LEVWEVSHASTCOE-UUOHNITCSA-N 442.990 7.624 30 40 IKEB CCCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccccc1 408959528 AKVVPWZYEUBBSE-YJMOJNCUSA-N 430.577 5.557 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 409070638 DEQOOEQLSLYSTN-LGJNPRDNSA-N 446.429 5.866 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2C#N)C1 409083531 VFMJPPIUKBXISY-JOBSNELWSA-N 433.533 6.690 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 409098654 JANSLWKJABWMDJ-KBKYJPHKSA-N 442.319 5.869 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1OCC 409329935 IYMDKBNXRDFVNR-KQWNVCNZSA-N 447.581 6.209 30 40 IKEB C/C=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O 613822708 CQXVJDFZHGQKSV-YIBJHEDSSA-N 430.632 8.528 30 40 IKEB CCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2Cl)cc1 2065132 KGGOYLQNXGIAOK-UHFFFAOYSA-N 447.918 6.383 30 40 IKEB C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 2728296 FGWAHUJFZHMURR-BJUXRVGASA-N 434.348 5.140 30 40 IKEB Cc1cc(C)c2oc(-c3cc(/N=C/C=C/c4ccc(Cl)cc4Cl)ccc3O)nc2c1 3032254 BQNDBGDSNUMMOR-SBVAFVRDSA-N 437.326 7.540 30 40 IKEB Cc1cc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)n2c2ccccc12 3195601 NYYWPYJYNHUWHJ-UHFFFAOYSA-N 447.589 5.124 30 40 IKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)/C=C/c4ccccc4)CC[C@@H]32)C1 4721042 SWTNFHMWIPZFLE-YWMJEKQSSA-N 448.647 6.860 30 40 IKEB COc1ccc(/N=C/C2=C(c3cccs3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1 8399786 VFZJJXPBAFCJGD-LYAXJZIPSA-N 437.564 7.403 30 40 IKEB Cc1ccc[n+](/C(C(=O)c2ccc(Br)s2)=C(/S)Nc2ccccc2)c1 9562741 ZSKFMETZUDFANZ-UHFFFAOYSA-O 432.388 5.157 30 40 IKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)SC1=S 9762122 CQZFZPYXZWRERE-STZFKDTASA-N 425.575 5.360 30 40 IKEB Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 10119008 YWMZGYMRRWFVQG-MUFRIFMGSA-N 435.354 6.849 30 40 IKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 14361559 ACIAWZFLGKHZSD-PKNBQFBNSA-N 430.851 5.392 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2cccc(C(=O)O)c2)o1 15930789 DBIDGRCYPDMKMQ-XMMPIXPASA-N 428.488 5.867 30 40 IKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1nc(C(F)(F)F)nc1N2 16956677 CKVDPHQYKOMKDF-LHSJRXKWSA-N 449.436 5.194 30 40 IKEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nc(O)c32)cc1 17041232 DGXCFJFAVRPPGK-FQEVSTJZSA-N 429.545 5.347 30 40 IKEB COc1ccccc1CN/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 20763433 HWHOHGZFKAIJIL-STBIYBPSSA-N 430.935 6.205 30 40 IKEB COc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)cc1 32984415 QOSPNDYUXUXLCM-UHFFFAOYSA-N 437.492 5.101 30 40 IKEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 36611369 XOTQPZVNMUSSJI-SSDVNMTOSA-N 428.901 5.276 30 40 IKEB O=C(Oc1ccc(/C=N/c2cccc3ccccc23)cc1)c1sc2ccccc2c1Cl 59500697 MSUNEYOQDYTFRM-LQKURTRISA-N 441.939 7.678 30 40 IKEB C=CCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2cc(Br)ccc21 100874363 FXVRRDCUKZTIBE-ATJXCDBQSA-N 429.383 5.690 30 40 IKEB CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cc(Cl)cc32)C(=O)C1 104804652 XVEXKKMPOJWWGN-GOSISDBHSA-N 435.347 5.687 30 40 IKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C/C(=N\O)[C@]4(C)[C@@H]([C@H](C)OC(C)=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118922813 LVLQUIZWMULUMY-GMNDDZJSSA-N 447.616 5.359 30 40 IKEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)cc3)OC2)c2ccccc12 225916869 VTXHKTVDJYUBGP-UHFFFAOYSA-N 433.504 5.104 30 40 IKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408591261 JHECPVMLMATWQJ-LGJNPRDNSA-N 439.284 5.590 30 40 IKEB CC(C)COc1ccc(/C=N/Nc2ccc(Br)cc2)cc1Br 408600980 HZIPMPNGIDFGOA-KEBDBYFISA-N 426.152 5.692 30 40 IKEB CCCc1nnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 408638876 UMFPLNZKIXOMPN-UHFFFAOYSA-N 444.516 5.552 30 40 IKEB CC(=O)Oc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 408789149 JVGHTVPWHBPAIL-YUMHPJSZSA-N 432.545 5.233 30 40 IKEB CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408869932 RCRZKSMDSHAECJ-OPVSOKKRSA-N 448.588 6.046 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)S2)c(C)c1 409003274 ZCJGINODAWVXMC-STZFKDTASA-N 436.537 5.094 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1Cl 409014833 QHJOSGYRMLNGQX-GJUHEBOISA-N 435.376 6.371 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1C 409201101 LUNJWCJQEIKKHQ-DHRITJCHSA-N 428.757 7.049 30 40 IKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 409209548 CINTYAJOVVLRSR-RDRPBHBLSA-N 443.930 7.471 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 409214101 RCLYTRCFHNUYDM-BRJLIKDPSA-N 432.720 6.880 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)S/C1=N/c1ccc(F)cc1 409234001 VKHSPQPFQQWMLM-MVPYSVJISA-N 437.515 5.996 30 40 IKEB N#CCSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 1644218 MZLQMOFYMVOCJX-UHFFFAOYSA-N 427.554 5.640 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 3016952 DWSVNSQDALKEOT-KGENOOAVSA-N 434.289 5.373 30 40 IKEB O=C(C1=C2NC(=O)c3c(-c4ccccc4)csc3N2Cc2ccccc21)c1ccccc1 3227534 RLJFUHCLFDRGBQ-UHFFFAOYSA-N 434.520 5.730 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 4556741 MQYXUWHLBZFQQO-CKEBZWMRSA-N 426.729 8.025 30 40 IKEB CC1=C/C(=N\N=C2\N=C(O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)S2)CC(C)(C)C1 8385283 BADZRKRDDRKKTO-NFXIUMSZSA-N 432.977 5.527 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8821007 SBRMDVPGUCOEJU-VCHYOVAHSA-N 433.291 6.284 30 40 IKEB O=C(Nc1sc(N/N=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1)c1cccs1 8867528 AIYSKVAHEGAKBE-LPYMAVHISA-N 449.517 5.478 30 40 IKEB CCC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O 9271996 FMMOZPPXADXNAA-FIPJQYBPSA-N 448.361 5.222 30 40 IKEB CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2Cc1ccccc1 9288227 MFAQQGXZODPUMT-HSZRJFAPSA-N 446.576 5.015 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1 13568521 SYCGTWZEFYLLFC-DYESRHJHSA-N 433.548 5.006 30 40 IKEB O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 15054363 BJKOPLOZQDQIOT-DEVZUPFRSA-N 440.568 5.975 30 40 IKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)c1OC 15945637 AMYYCOKFDKMRSX-DHRITJCHSA-N 440.952 5.910 30 40 IKEB CCN(CC)c1ccc(/C=N/CCCCCC/N=C/c2ccc(N(CC)CC)cc2)cc1 17723373 MHRIRXOEWCHUGX-HCTXVGCHSA-N 434.672 6.477 30 40 IKEB CCCOc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 27019119 DZDRFHBVBBHMHP-PTGBLXJZSA-N 426.516 6.106 30 40 IKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc2c1 38180005 NXJAAWPUFVZTBA-IXORVSQSSA-N 449.348 7.227 30 40 IKEB CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)O1 100098944 LRYWPGGNVAJLHF-BUANEPLZSA-N 443.930 6.981 30 40 IKEB COc1cc(/C=N/c2ccc(C(C)=O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103748326 ZVVHEEOKUZGKEE-YDZHTSKRSA-N 435.392 5.257 30 40 IKEB C=C(C)[C@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12 253589460 FVWJYYTZTCVBKE-AMXZUDFWSA-N 442.728 6.997 30 40 IKEB endogenous,in-man Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 408897649 SIZIQVPIJJUFCA-FSJBWODESA-N 436.364 5.022 30 40 IKEB CCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(OCCCC)cc2)cc1 409184253 VPYKKJBJKXHQTC-UHFFFAOYSA-N 425.569 6.635 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)S/C1=N/c1ccc(F)cc1 409227724 VTAJZGILIQFKQT-VBJFXANNSA-N 435.524 5.563 30 40 IKEB COc1cccc(Oc2ccc(/N=C/c3ccc(Sc4ccc(C)cc4)cc3)cc2)c1 409245049 MQUOIDQNKVNDID-TURZUDJPSA-N 425.553 7.698 30 40 IKEB CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 607700 AHBKIEXBQNRDNL-YOZNJETKSA-N 448.603 5.744 30 40 IKEB CC[N+](CC)(CCC#C[C@](O)(c1ccccc1)C1CCCCC1)Cc1ccccc1Cl 1852615 MSFRWYPMVGNGCP-NDEPHWFRSA-N 439.063 6.558 30 40 IKEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 2135124 FCNXREDFYNNIRS-OOHHOYHOSA-N 440.451 5.238 30 40 IKEB biogenic O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 3139520 NTFYWERIAPEKIT-NDZAJKAJSA-N 431.491 6.790 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc(C)c3)c2C#N)cc1 8441112 HVELMMJVRXZNBC-UHFFFAOYSA-N 449.579 6.635 30 40 IKEB CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1O 16688218 XLIHKWBUALQKDQ-MSXFZWOLSA-N 437.839 5.911 30 40 IKEB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1/N=C1\SCC(=O)N1CC(C)C 17094367 XOHCADDXOGODKQ-QOCHGBHMSA-N 425.385 5.074 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c2C#N)C1 17097413 UTMFLUIGKRGURN-LLVKDONJSA-N 431.344 6.564 30 40 IKEB Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC[C@@]5(C)CC[C@@H]43)C2)cc1 32106725 DJKUHJBPRWSFHW-KUYDZDNESA-N 430.654 6.502 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccc(Cl)cc2)cc1 44859250 NOCIDEHBIOFWPP-QFIPXVFZSA-N 432.911 5.119 30 40 IKEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1nc(-c2ccccc2)cs1 100005698 KRPWDMUWVQMGNG-PLRJNAJWSA-N 444.545 5.124 30 40 IKEB O=C1/C(=C\c2cccc(C(F)(F)F)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 100374629 BUQUYMMABQGASJ-JNHDIHBKSA-N 428.435 6.103 30 40 IKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 102542088 PSLUQRXRSBXHTG-JBCNATCCSA-N 444.487 5.370 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)SC1=Nc1ccccc1 260572415 VGJLOFOGXZMALQ-GUOZGLPVSA-N 433.621 6.423 30 40 IKEB C=CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)c1ccc(OC)cc1 408596067 PCRVUNOLRWGFFQ-UHFFFAOYSA-N 445.544 5.180 30 40 IKEB CCOc1cc(/C=N/Nc2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1 408659100 OTCTZUOILBUQLZ-CVKSISIWSA-N 434.927 5.650 30 40 IKEB O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)Nc1ccccc1Cl 408802901 IZKODWZMKZQGEO-CFRMEGHHSA-N 443.728 5.871 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C)cc1 408911040 IRSJXQTWTNGHTK-BHECTXTCSA-N 436.621 6.838 30 40 IKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)c2ccccc21 408911954 LDTWGMGZSBEVQR-MNVVCBJRSA-N 429.589 6.538 30 40 IKEB COc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OCc1ccccc1 408964955 IYOWFQHMOPIIKF-HYARGMPZSA-N 434.492 5.305 30 40 IKEB CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N2C)cc1 409156265 NIQCIRKVYREQNM-ASAQIREPSA-N 447.516 5.959 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409171065 XVXNVZPIFKECNC-LDADJPATSA-N 430.323 5.250 30 40 IKEB CCc1ccccc1-n1c(C)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1C 409407466 UEKSLJLMYODZEO-UHFFFAOYSA-N 446.554 5.916 30 40 IKEB C=C(C)[C@H]1C[C@H](c2cccc(C)c2)[C@H](C)O[C@@H]1c1cc(Cl)cc(OC)c1OCC(=O)O 2037875142 JYCJLLWSZKXPQR-XXPWESIGSA-N 444.955 5.946 30 40 IKEB C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2038218764 MHAVMNJPXLZEIG-GRFJDIJOSA-N 438.696 7.412 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@H]2c1ccccc1 2211328 RHPPHEKNEIPSSG-FQEVSTJZSA-N 440.478 5.098 30 40 IKEB Cc1ccccc1-n1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21 2281252 TXWBWALLNGXLGO-UHFFFAOYSA-N 437.890 5.660 30 40 IKEB COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1O 3050587 VBLRYUGCPKCYIC-FSJBWODESA-N 439.334 6.191 30 40 IKEB Cc1cccc(C(=O)Nc2ccccc2OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1 3079997 FCEMVQOAXPYAMU-UHFFFAOYSA-N 441.318 5.797 30 40 IKEB Cc1ccc(C)c(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c1 3081516 KLPAXEHHVNCDBM-AQQMUFCHSA-N 434.333 6.435 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 3184398 AWDSYJRYLIPUSB-SSDVNMTOSA-N 437.253 5.357 30 40 IKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)c(C)c2)CC1=O 9191678 XHFWNDUQKMPAKG-IBGZPJMESA-N 437.971 5.359 30 40 IKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 9215678 WPFQZLCDZWOGCW-AHWVRZQESA-N 430.935 6.456 30 40 IKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@@H]2c2ccco2)cc1 9332486 PMKHIXTVTHTQKW-CPJLOUKISA-N 428.488 5.355 30 40 IKEB CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 9380305 YKUIWDOCWKLGNG-PIIWDFAUSA-N 440.562 7.103 30 40 IKEB CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 9380653 SNKHLBGAXQLCIW-QFIPXVFZSA-N 432.907 5.189 30 40 IKEB Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 12125081 DRQXGNCDEPIHFF-NNLCKWJRSA-N 437.952 5.318 30 40 IKEB N#C[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@@H](O)c1ccc(-c2ccccc2)cc1 12526610 MQMNMFLOTFXECD-OZXSUGGESA-N 431.967 5.002 30 40 IKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@H]12 12884827 IUHODRMRSHJGHQ-DHWOPMESSA-N 426.000 5.743 30 40 IKEB biogenic C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S 13546296 OWOMSCIWILFZOC-GZTJUZNOSA-N 448.978 5.787 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1 13567811 SZHFNZRNKDBKGD-IBGZPJMESA-N 439.939 5.521 30 40 IKEB COc1ccc(NC(=O)C(C)(C)Sc2nc(-c3ccccc3)ccc2C#N)cc1Cl 13578799 FAHJKPKQWILIHA-UHFFFAOYSA-N 437.952 5.792 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 20663572 CWPAXVVMKCWARC-KQWNVCNZSA-N 437.536 5.197 30 40 IKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)c(F)c1 48253069 XVVLFOIJLFROIC-XVNBXDOJSA-N 446.305 6.125 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 72345285 KSYMRSQJBLVOLN-JOCHJYFZSA-N 448.632 5.225 30 40 IKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 408873928 XKAOCLUTRAEBFI-NHDPSOOVSA-N 433.920 5.875 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 409076446 AJNVEQOGYCEPHV-RVIYGNEXSA-N 437.348 5.722 30 40 IKEB C=CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1Br 409110618 FKOJCZXSTZGXEU-UHFFFAOYSA-N 425.164 6.005 30 40 IKEB CCc1ccccc1/N=C1/S/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)C(=O)N1C 409167908 KEHMMVFCPWXUEL-JEBQXDLDSA-N 432.501 5.441 30 40 IKEB COc1cccc(/C=N/c2ccc(-c3ccccc3)cc2)c1OCc1ccc(C(=O)O)cc1 409187534 RPIBATFXDZSMQE-RDRPBHBLSA-N 437.495 6.390 30 40 IKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl 409206677 ZWZUDBXNBUYTCC-RPPGKUMJSA-N 434.750 7.293 30 40 IKEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 409217843 XJFCGPZTVSFLLT-VUTHCHCSSA-N 436.511 6.555 30 40 IKEB C=CCn1c(SCc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O 1465885 ZICVWYWXFKFFLX-UHFFFAOYSA-N 434.542 5.332 30 40 IKEB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccc(C#N)cc2)cc1 2450986 ZZCOBZHZGHUPJB-UHFFFAOYSA-N 442.544 5.327 30 40 IKEB N#Cc1c(Sc2ccc(Cl)cc2)nc(-c2ccccn2)nc1-c1ccc(Cl)cc1 3029389 ORDAIFYPOODSPJ-UHFFFAOYSA-N 435.339 6.535 30 40 IKEB CCCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 4285261 HCTLUVVPAJEIAS-HSZRJFAPSA-N 425.569 5.421 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(C)cc3C)c2c1 11866452 HFUPFRNQLFKNMY-UHFFFAOYSA-N 441.527 6.932 30 40 IKEB biogenic CCc1cc(SCc2cc(=O)oc3cc(O)ccc23)n2c(nc3ccccc32)c1C#N 13113036 KGQLOJBVNUMUSM-UHFFFAOYSA-N 427.485 5.026 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1OCc1ccc(Cl)cc1 19900774 NSJFKGUDUKIYLJ-UHFFFAOYSA-N 433.939 5.712 30 40 IKEB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C(=N\C2CCCCC2)N1C1CCCCC1 34849058 LLMBMTLUVGYPAQ-DJOYVXLESA-N 429.542 5.238 30 40 IKEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1[N+](=O)[O-] 35103963 PYIWEDIWTJBQNP-ZZXKWVIFSA-N 446.246 5.451 30 40 IKEB C/C=C1\C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)OC)[C@@]2(C)CC[C@@H](O)C[C@@H]12 139235601 SXDZXAFUWCERDJ-CXHHNCLUSA-N 430.629 5.331 30 40 IKEB in-vitro CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)S/C1=N\c1ccccc1 223579662 YIYPGRHCNAEFFC-HKJLTUBRSA-N 447.648 6.731 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408600273 AYXFJGQCZPYBGW-WOJGMQOQSA-N 425.853 5.400 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 408751693 BQRLPRVJNAUXTL-HAHDFKILSA-N 429.589 6.165 30 40 IKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C4CCCCC4)cc3)c2C)cc1 408788801 HLLUPZVYBMCWJR-VUTHCHCSSA-N 428.576 7.069 30 40 IKEB Cc1ccc(-c2ccc(/C=N\c3cccc(I)c3)o2)cc1C(=O)O 408856830 LPJDHGDHEOZHBJ-NHDPSOOVSA-N 431.229 5.308 30 40 IKEB N#CCOc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408915182 PLTKNGSBWYQLAX-DICXZTSXSA-N 449.963 6.186 30 40 IKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(N3CCOCC3)cc2)cc1 408930711 BAIMRQNNHXPAAF-TWKHWXDSSA-N 436.555 6.314 30 40 IKEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 408975132 HYUHZAWSHXBSKV-MFKUBSTISA-N 444.516 6.148 30 40 IKEB CCOC(=O)c1ccc(/N=C/c2ccc(-c3cc(Cl)ccc3C(=O)OC(C)C)o2)cc1 409188557 DCVUSZMBVHIENF-VULFUBBASA-N 439.895 6.093 30 40 IKEB N#C[C@@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)c(Cl)c1 505923766 XZMWBANIQTXVAG-MRXNPFEDSA-N 435.698 5.010 30 40 IKEB CCc1ccc(/N=C2\S/C(=C\c3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1 2082237 OMVXEYJMJIXGKS-JTUXUYRKSA-N 432.614 6.990 30 40 IKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)c1cccs1 2222059 SYTLBLXMSPZHGW-YVLHZVERSA-N 427.275 5.346 30 40 IKEB COc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1Cl 3115270 IRCZNOGGICZKBZ-OPEKNORGSA-N 431.706 7.214 30 40 IKEB C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2scc(-c3ccccc3)c2c1=O 3251349 OKGVBTGOTSYDCX-UHFFFAOYSA-N 448.569 5.390 30 40 IKEB Oc1ccccc1/C=N/c1ccc2oc(-c3ccc(I)cc3)nc2c1 3657077 PYBSHQWIPXSCJZ-WSDLNYQXSA-N 440.240 5.556 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1Br 13306330 BMSCJHSRAYNPPW-HSHHTGOPSA-N 446.395 5.443 30 40 IKEB COc1ccc(/C=C/C(=O)OCCOc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 13406644 OFMZLJFYBQURED-MJZABRMRSA-N 428.484 5.227 30 40 IKEB CCc1ccc2nc(SCC(=O)Nc3ccccc3Br)c(C#N)cc2c1 13503470 SJEOBWHXFWHXFK-UHFFFAOYSA-N 426.339 5.162 30 40 IKEB O=C(/C=C/c1ccccc1[N+](=O)[O-])Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1 14359762 LFWRPHQHEBULBX-WXUKJITCSA-N 439.423 5.856 30 40 IKEB CCOc1ccccc1/N=C1\SC[C@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1 16045105 KUIFEZJFZVKLAD-READERTPSA-N 444.600 6.259 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 16291622 KRPIAXGVVQOJKF-PDGQHHTCSA-N 432.530 5.507 30 40 IKEB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1Cl 17100991 KQPHNWHORPJHBX-RNVIBTMRSA-N 436.964 6.618 30 40 IKEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3oc(-c4ccccc4)nc3C#N)o2)cc1 26841292 FJMTUIRXAHZYMW-CVKSISIWSA-N 426.432 5.096 30 40 IKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c2ccccc21 28182547 ATJSAJFWWHJFQK-DICXZTSXSA-N 437.539 6.782 30 40 IKEB CCOc1ccc2cc(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)nc2c1 35311874 RXFVFUBMSMHYBI-UHFFFAOYSA-N 439.540 5.962 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2Cl)cc1C 44858934 AZLORJPHXQEAOE-QHCPKHFHSA-N 446.938 5.428 30 40 IKEB CCc1ccc(OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 68573675 ZJXSOWNINCNSQF-JTQLQIEISA-N 434.201 5.190 30 40 IKEB biogenic CCCCCCCC/C=C/CCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 76945525 NKQFKJYKCVDLPT-ZHACJKMWSA-N 440.624 8.044 30 40 IKEB in-vitro CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Br)cc2)C(=O)C1 100006857 NAVBTWPITMDHNM-IBGZPJMESA-N 447.369 5.308 30 40 IKEB CCN(CC)c1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 100034331 CPMIXIKPSVXRPS-HSZRJFAPSA-N 439.596 5.392 30 40 IKEB CC1(C)OC(c2ccccc2)=C/C(=C\C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)O1 100098941 LRYWPGGNVAJLHF-VRMPANCWSA-N 443.930 6.981 30 40 IKEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](F)C[C@@]21C 118933258 JEEUJGVJTLVJQM-DCJXKKNWSA-N 439.365 5.082 30 40 IKEB C=CCOc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cn1 225936238 QFSNCGYAJYRXMT-UHFFFAOYSA-N 434.539 5.814 30 40 IKEB O=C1CCCC2=C1C(c1cn(Cc3ccc(F)cc3)c3ccccc13)C1=C(CCCC1=O)N2 408893496 BZOJDRSVHOTPKY-UHFFFAOYSA-N 440.518 5.530 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 408954241 SBNFNGJSYURMBU-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc1 409082563 MMRLZRWOHKDEDF-IQORJPDUSA-N 434.605 6.481 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1ccccc1 409202335 RSYZSUHHTXLZAH-WGOQTCKBSA-N 438.365 6.740 30 40 IKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409210847 LEMWRQTYSVMGCA-VULFUBBASA-N 430.331 6.730 30 40 IKEB CC(C)(C)Cn1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409295497 DTQPFQHYCBIIHW-UHFFFAOYSA-N 440.591 6.327 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C2CCCC2)c1C 409304381 JVSLXQXTXRCCIA-UHFFFAOYSA-N 441.373 5.137 30 40 IKEB Cc1ccc(-c2ccc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)o2)cc1C 2137992 VPQBICXEWXSGIE-SSEXGKCCSA-N 447.578 8.026 30 40 IKEB Cc1cccc(/N=C/c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 3089442 TXNFZBHCIPYLBO-PCLIKHOPSA-N 446.484 5.575 30 40 IKEB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 6196391 SXGKIBBXSOFHPJ-VWLOTQADSA-N 444.575 5.636 30 40 IKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(F)c1 9270329 VUXPEMRNQDGDKF-KMRXNPHXSA-N 440.518 6.055 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C)cc2)cc1 9272964 BNCHRZHHDKYFIN-QFIPXVFZSA-N 440.524 5.696 30 40 IKEB Cc1c(C)n(C2CCCCC2)c2ncn3nc(CO/N=C/c4ccc(Cl)cc4)nc3c12 9435372 VXSONIWLWGALGC-RPPGKUMJSA-N 436.947 5.405 30 40 IKEB COc1ccc(/C=C/c2cc(-c3cccc(C)c3)n3c(nc4ccccc43)c2C#N)cc1O 13146020 ADWRCEXNXIKKCJ-ZRDIBKRKSA-N 431.495 6.219 30 40 IKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 13617429 WLVVQLIZCFBEMH-QITWFEPBSA-N 445.588 5.873 30 40 IKEB COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c(OC)c1 13838856 UUXGPJGDKDEHSK-XMMPIXPASA-N 425.488 5.334 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)c2C#N)C1 17097408 UUKARDXUFASYQB-LLVKDONJSA-N 431.344 6.564 30 40 IKEB CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl 27572014 MBICDKHQHBALRV-UHFFFAOYSA-N 427.972 5.712 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccc(C)cc1C 100499316 WYZPCDUQQNAHHL-ZMPCKTLKSA-N 439.606 5.696 30 40 IKEB CCCCCCCN(CCCCCCC)C[C@@H](O)c1ccc2ccc3ccccc3c2c1 100690901 RAYKHTIOYFAODL-SSEXGKCCSA-N 433.680 8.269 30 40 IKEB O=C(c1ccc(Cl)cc1Cl)N(/C=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 102939935 HUZPWANJIGUVCK-BRJLIKDPSA-N 438.141 7.307 30 40 IKEB C=CCc1cc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)ccc1OC 408741955 OLOKZRKTCBGAHG-WQRHYEAKSA-N 429.339 5.078 30 40 IKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1Cl 408777082 UVJHMUMXRBXJFE-FSJBWODESA-N 448.735 6.411 30 40 IKEB CCOc1ccc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1Cl 408778903 ZMMYKDOYTXPCSZ-BIFPGVLTSA-N 447.044 6.676 30 40 IKEB Cc1c(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccccc1Cl 409099309 KZMIIAZPQQOCQN-VFLNYLIXSA-N 442.872 6.511 30 40 IKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 409180674 YCUPMJYPCXNBQL-UHFFFAOYSA-N 431.555 6.042 30 40 IKEB S=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)Nc1ccccc1 409201995 PWQGWTIQZKXSSK-QRQIAZFYSA-N 434.568 6.163 30 40 IKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2I)cc1OC 409383089 ZDFTVKAICJOMPF-UORWWSPDSA-N 443.712 5.881 30 40 IKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)o1 409393345 QKKIKGVWCWJKPX-BHGWPJFGSA-N 437.839 5.381 30 40 IKEB F/C(=C/CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330470 PEBAMZJOJUNWOR-HNQUOIGGSA-N 446.100 6.531 30 40 IKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 2203220 HCJVAUWBSSUGAA-UADFMYQDSA-N 448.877 6.382 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2376889 GDSACPYKDMDFFC-UHFFFAOYSA-N 432.524 5.292 30 40 IKEB N#Cc1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)cn2-c2ccccc2)cc1 3241565 GPNYHORTNGFAPA-UHFFFAOYSA-N 436.367 7.010 30 40 IKEB O=[N+]([O-])c1ccc(OCc2ccccc2Cl)c(/C=N/Nc2ncnc3ccccc23)c1 8763499 XAGHWMBSMPFIGZ-RPPGKUMJSA-N 433.855 5.216 30 40 IKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 9246827 PYYUUKYQCKCTOA-QLXKLKPCSA-N 432.926 6.767 30 40 IKEB COc1cc2c(cc1OC)C1=C[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N1CC2 13576516 CCFKZAIUMVVHHW-HXUWFJFHSA-N 449.978 5.997 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1cc(OC)ccc1OC)C2=O 13655635 QLJJSNRDBMCEGI-JLPGSUDCSA-N 439.552 5.428 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)cc1Br 14408415 SGICJVNBUFWSRI-FSJBWODESA-N 439.382 6.221 30 40 IKEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(C)s1 16779351 APMCBNXDEBYPDP-GTNSWQLSSA-N 429.611 5.231 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4Cl)ccc3C1=O)cn2C 28182478 RKJRSYUEALDFKR-GATIEOLUSA-N 445.902 6.036 30 40 IKEB CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1ccc(C(=O)O)cc1 36089885 YSCRMUFMNGTCOT-MDIFQPDJSA-N 432.501 5.171 30 40 IKEB CCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1OC 59484231 WOQJLKKMDFBNIB-YZSQISJMSA-N 429.545 6.330 30 40 IKEB CCCCCCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 97984114 OKFNIQJJKNNDNR-QFIPXVFZSA-N 437.565 5.408 30 40 IKEB COc1cc(/C=N/c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103752169 BGZCUHUTJGQSQM-WSDLNYQXSA-N 427.800 5.708 30 40 IKEB COc1ccc(/N=C(\C)c2c(C(F)(F)F)nn(-c3nc4ccccc4s3)c2O)cc1 104274581 ZYYBQHCYIVTKJW-BHGWPJFGSA-N 432.427 5.356 30 40 IKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3F)o2)c2ccccc12 226362546 BPARZODUMNYZKB-JXMROGBWSA-N 435.252 6.028 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl 408532231 SVUUKXSQAPSNIL-YBEGLDIGSA-N 437.735 5.550 30 40 IKEB CCOc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 408721995 CAYDEXKEUBRWGI-PCLIKHOPSA-N 429.501 6.535 30 40 IKEB C#CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC 409206989 OCVWEWCPPFQDAQ-UHFFFAOYSA-N 429.141 5.779 30 40 IKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1Cl 409218337 IDILMCSWTJCVFW-JFLMPSFJSA-N 428.359 7.284 30 40 IKEB C=CCOc1ccc2ccccc2c1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409281734 LPUVEAPFORFZKY-UHFFFAOYSA-N 448.320 5.068 30 40 IKEB Cc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)ccc1N1CCCC1 409289080 DQZAVIDMZTXVCW-UHFFFAOYSA-N 448.526 5.601 30 40 IKEB CC[C@H](C)Oc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cccc1OC 1531383014 VATFIZQQWKPUHP-CICSQNLLSA-N 427.504 5.132 30 40 IKEB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 714507 NCBBMZHTJFJXIK-VWLOTQADSA-N 427.500 5.887 30 40 IKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nc2sc3c(c2c1=O)CCCC3 2336173 WFNWRFGXSIQSNH-UHFFFAOYSA-N 436.524 5.834 30 40 IKEB Cc1cccc(-c2nc3cc(/N=C/c4c(C)c(Cl)c(C)c([N+](=O)[O-])c4O)ccc3o2)c1 3066529 BKWKSPDPSSYLHG-OPEKNORGSA-N 435.867 6.438 30 40 IKEB C=C(C)CS[C@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CC[C@@H](C(C)(C)C)C3 4907127 RLVDOZLLKXBQFM-MWTRTKDXSA-N 426.651 6.564 30 40 IKEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 6015296 PNVVJAWMSSGWSM-QHCPKHFHSA-N 434.511 5.077 30 40 IKEB CCCCCCCCCCCCCCc1ccc(-n2cnc(C(=O)OCC)c2N)cc1 8383551 MWAOEDAGBRCQPY-UHFFFAOYSA-N 427.633 6.875 30 40 IKEB Cc1ccc2nc(-c3ccc(NC4=CC(=O)C[C@@H](c5ccc(F)cc5)C4)cc3)sc2c1 8756800 NIASTRMTIFLBEB-IBGZPJMESA-N 428.532 6.853 30 40 IKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)no1 8861976 CKBMRUVXIVHHLM-FQEVSTJZSA-N 434.835 5.166 30 40 IKEB N#Cc1c(SCc2ccc(Cl)cc2Cl)nc(-c2ccccc2)c2c1CCCC2 9065456 IIHCNFULRIKKOW-UHFFFAOYSA-N 425.384 7.098 30 40 IKEB Brc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 11991688 HIGOMBORCGEUHT-DJKKODMXSA-N 437.160 5.781 30 40 IKEB O=C1/C(=C/c2cccc(O)c2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 12393133 QLBBFNNDICRPKB-KKOPTWAASA-N 439.540 5.720 30 40 IKEB Clc1ccc(-c2nc3ccc(/N=C/c4cccc(Br)c4)cc3[nH]2)c(Cl)c1 13550458 YUGJGHIOFVXWQU-BHGWPJFGSA-N 445.147 7.050 30 40 IKEB Cc1ccc(S(=O)(=O)N/N=C\C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1 17251066 IQWDOFYXFDSDPM-USHMODERSA-N 438.552 5.274 30 40 IKEB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(C#N)c3)c2C1 25389628 QGHUYYWUPHXRMB-SFHVURJKSA-N 441.531 5.053 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 25615752 DNATVEAMVQJOSK-OAQYLSRUSA-N 431.561 5.259 30 40 IKEB COc1ccccc1NC[C@@H](C#N)c1cc(Br)ccc1OCc1ccccc1 26895935 UENICOVUNMVJCT-GOSISDBHSA-N 437.337 5.756 30 40 IKEB O=C1CCCC2=C1C(c1cccc(OCc3ccccc3Cl)c1)C1=C(CCCC1=O)N2 59193515 ZYOHMGDZKSAUPO-UHFFFAOYSA-N 433.935 5.620 30 40 IKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(Cl)c(Cl)c3)c(C)c2s1 72228623 GSHWLMZZYVARPC-GATIEOLUSA-N 435.380 6.670 30 40 IKEB CCc1ccc2nc(N3C(=O)C(=O)/C(=C(/O)c4ccccc4)[C@H]3c3cccs3)sc2c1 102804446 AJLACHGHSQMVBT-YDJIHCHBSA-N 446.553 5.547 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1F 408560771 OVPKVJMWVKPYPA-UHFFFAOYSA-N 432.524 5.078 30 40 IKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)C 408589660 FIDMTECZUHQJTE-SRZZPIQSSA-N 437.290 5.094 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)c([N+](=O)[O-])c1 408601200 IZOCBXPTAUBVLQ-KSEXSDGBSA-N 444.806 5.321 30 40 IKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709551 TYMBJLCPMUDXOD-UHFFFAOYSA-N 443.632 5.335 30 40 IKEB FC(F)(F)COc1ccc2ccccc2c1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409035181 OXCJCVCTYVEONX-FEDGQQDLSA-N 436.249 5.495 30 40 IKEB C#CCn1c(C)c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 409038132 DREMPLXYSVLALS-UVTDQMKNSA-N 443.375 5.085 30 40 IKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1O 409108299 ZSFOGFVMVYVENJ-SSDVNMTOSA-N 447.672 6.259 30 40 IKEB Cc1cccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1C 409199010 AWEIYRWTUCPMHQ-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB COc1c2c(cc3c1[C@H](C/C(C=C[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 2042787329 SVSPODGIYWQUSW-MZEYEEJCSA-N 426.557 5.112 30 40 IKEB biogenic COC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C 669387 GLSVKWAKZYLJCD-UHFFFAOYSA-N 427.485 5.182 30 40 IKEB CCOC(=O)c1c(-c2ccccc2)nc(SCC(=O)c2ccc(OC)cc2)c(C#N)c1C 885458 NCWIQPQCRSLMFJ-UHFFFAOYSA-N 446.528 5.089 30 40 IKEB C#CCOc1ccc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1OCC 8722487 IBBXSOAAYSHZEW-DJKKODMXSA-N 429.303 5.210 30 40 IKEB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1C#N 9311623 LSVYXRZLQYOFKS-ZVHZXABRSA-N 437.495 5.826 30 40 IKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c1 13567957 UWUVTJPUJPKTCF-INIZCTEOSA-N 429.875 5.024 30 40 IKEB CCOc1ccc(/N=C(\C)c2c(-c3ccccc3)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 13619014 RWZVFFHSHLTTPN-YZSQISJMSA-N 442.475 5.280 30 40 IKEB Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])cc1 15979099 VSBQPCNLHHCOQI-UUILKARUSA-N 441.455 6.552 30 40 IKEB CCOc1ccc(NC(=S)/N=C(\NCc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1 16319324 MWVWMAQPCDFFMI-UHFFFAOYSA-N 448.548 5.235 30 40 IKEB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N\c1ccccc1 17167433 XMTUERJUKQHQAP-UINIZAEWSA-N 445.588 6.117 30 40 IKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1 19535734 UXUBQWVFBCBFGT-NRFANRHFSA-N 447.497 5.795 30 40 IKEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1[N+](=O)[O-] 33405378 KESOQXXNBVRPIB-FNORWQNLSA-N 425.828 5.106 30 40 IKEB Cc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C 101650968 PFGLRXSZRQRWKZ-OCLJWFPGSA-N 436.364 5.200 30 40 IKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccccc1Cl 223666544 DQBFMVSLYSDYMK-UHFFFAOYSA-N 435.767 5.774 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)S2)c1 408814103 RLCUSEZZCDRFTG-HMAPJEAMSA-N 434.948 6.119 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1c(C)cccc1C 408906358 IQBJCERHTAZPBJ-BDOZFWBASA-N 442.584 6.506 30 40 IKEB Clc1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408930687 ARZUWNFMTPATRJ-JVWAILMASA-N 441.358 6.160 30 40 IKEB COc1cccc(/C=C2\SC(=Nc3ccc4ncccc4c3)N(C)C2=O)c1OC(C)C 409014624 XQBXMEMYSRAGOG-UDYULTBOSA-N 433.533 5.264 30 40 IKEB CC(C)(C)[C@@H]1C[C@H](C(C)(C)C)[C@@]2(C(=O)OC3=C(C2=O)[C@@H](C(C)(C)C)C[C@@H]3C(C)(C)C)C1=O 409066044 VMDSRARXVSWQPD-BSTYBFBESA-N 444.656 6.379 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccs3)c2C(=O)NCc2ccco2)C1 409081782 QOXWUBJHOZISMH-XFRWHIHTSA-N 426.607 6.234 30 40 IKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1c[nH]c2ccc(Br)cc12 409091471 USEGPZIZPIMTDC-GZIVZEMBSA-N 427.180 5.303 30 40 IKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409213258 TVAOSWYAXZTCDZ-AFUMVMLFSA-N 443.952 5.792 30 40 IKEB Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c(C)c1 409214870 YPKSMZFNMJOKJI-FSJBWODESA-N 425.828 6.316 30 40 IKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 2055495 MIGNWMISBXVCAV-FQEVSTJZSA-N 447.959 5.002 30 40 IKEB C=CCn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2212389 FYDGJEFSRSYYPS-UHFFFAOYSA-N 428.601 6.065 30 40 IKEB CCCCCCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21 2246934 OMTNDUTWNVSQMM-UHFFFAOYSA-N 431.584 6.078 30 40 IKEB COc1cc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)cc(OC)c1OC 2448790 MNIPXZHJJJJJIV-FBHDLOMBSA-N 436.435 5.047 30 40 IKEB C=CCOc1c(Cl)cc(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)cc1Cl 3145537 LGURDVXOIBCSBS-UHFFFAOYSA-N 428.120 5.403 30 40 IKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc2ccccc12 8398263 UXJFJMSIQZUTRE-QDJRPKQISA-N 447.585 5.842 30 40 IKEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)c1 8440205 WTPSFZPLVCHCAL-OAQYLSRUSA-N 447.560 5.370 30 40 IKEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)NC1=O 8820743 DTVDBDNGSWOEMJ-YVLHZVERSA-N 438.858 5.815 30 40 IKEB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2cc(Cl)ccc21 8922596 VBOAJZKGULBSLR-HEAKDJBOSA-N 431.919 5.055 30 40 IKEB CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\c1ccccc1 9210194 GGPQGDDEVVCVMA-WBYAUDGUSA-N 446.528 5.905 30 40 IKEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)n1 9254098 IUSIAUWTNWZJGK-GFCCVEGCSA-N 435.288 5.052 30 40 IKEB Cc1c(C#N)c2nc(-c3ccccc3)c(C(=O)O)c(-c3ccccc3)c2n1-c1ccccc1 9335062 PUNOJLKWRWUMMQ-UHFFFAOYSA-N 429.479 6.238 30 40 IKEB COc1ccc(/C=N/Nc2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 9354886 ZTVRELBHROLSIO-MFKUBSTISA-N 432.321 6.119 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCCC1)[C@H]2c1ccco1 9504738 NMTCAHBUBMEBCI-SANMLTNESA-N 447.579 5.345 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 13567796 IJWHQPUTPTUBHP-QGZVFWFLSA-N 439.939 5.521 30 40 IKEB N#Cc1c(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)sc2c1CCCC2 15838265 GQHRHOAUUBAVOU-OAQYLSRUSA-N 428.513 5.205 30 40 IKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C#N)C1 17097417 QROSFKTVJKDZTL-LLVKDONJSA-N 431.344 6.564 30 40 IKEB C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccnc1 20829922 WKELEQFJIKSXKD-UHFFFAOYSA-N 439.629 5.112 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OC)c(OC)c1 33354461 PCKPVKZZOZXQQP-UHFFFAOYSA-N 448.692 8.087 30 40 IKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 44087872 ICGFXNPYEBNVNJ-UHFFFAOYSA-N 439.300 6.599 30 40 IKEB CCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCCCC)c1 95762836 XEHITPCNDNWPQW-UHFFFAOYSA-N 446.672 8.282 30 40 IKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)S/C1=N/c1ccc(OC)cc1 100260098 RGESGHJANGBKBU-GOESLVMASA-N 449.551 5.866 30 40 IKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 102802088 VOMFAYTUGPHXMZ-ZHHPLPSFSA-N 446.934 5.341 30 40 IKEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 102876707 MPXDNGCESKKRIU-SBXHHDGASA-N 448.607 5.056 30 40 IKEB CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N(CCCC)CCCC 103663302 PKGIJUSIJXTQFL-QFIPXVFZSA-N 440.669 5.686 30 40 IKEB COCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S/C1=N\c1ccccc1 208197969 LLXXGDVZYMUMOG-NBGJGOCSSA-N 449.620 5.659 30 40 IKEB O=C(CSc1cccc(/N=C/c2cccnc2Cl)c1)Nc1cccc2ccccc12 215717928 GVHRYHVQSCSEIP-JFLMPSFJSA-N 431.948 6.370 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\Nc3ccc(C(F)(F)F)cn3)c2C)c1 408968070 UCUHVXQMGFITGE-PPDIBHTLSA-N 430.430 5.131 30 40 IKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 409076562 ANMHWTBQPDPXEP-BKUYFWCQSA-N 447.918 5.971 30 40 IKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409215212 YSTUPSCWJHFYRF-YDZHTSKRSA-N 436.316 5.520 30 40 IKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccc(OC)cc1 409236935 GZYOMVFYJWSAJH-NEHLPSIOSA-N 448.504 5.018 30 40 IKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)c(C)[nH]1 409301267 DMHPVDSKKVUQPK-UHFFFAOYSA-N 427.346 5.034 30 40 IKEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 709279 GERFIDXGUNWYFX-QFIPXVFZSA-N 435.882 5.300 30 40 IKEB CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 4048131 AHURIOZKCVUFMA-CLYVBNDRSA-N 444.962 6.718 30 40 IKEB CCN(CC)C(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N 8451239 XSOBHQJBUJOPPJ-UHFFFAOYSA-N 442.009 5.963 30 40 IKEB C/C(=N/Nc1ccccc1)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 8873030 UNXUKMKJJCXIRN-HAHDFKILSA-N 443.912 5.058 30 40 IKEB CCc1cccc(CC)c1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccccc1 9403332 DLWHASPDCNHWPN-UHFFFAOYSA-O 430.018 5.865 30 40 IKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@H]2c1ccco1 9556392 PKBRESAPLDCYQM-DQEYMECFSA-N 440.499 5.765 30 40 IKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)cc1 9720958 ONUXWNYRPAJSQS-OYKKKHCWSA-N 441.531 6.029 30 40 IKEB Cc1[nH]c2ccccc2c1/C=N/n1c(-c2ccc(F)cc2)cs/c1=N\Cc1ccccc1 12312134 DLHMTZWSOSJALP-ZKRVARDBSA-N 440.547 6.129 30 40 IKEB N#C[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@H](O)c1ccc(-c2ccccc2)cc1 12526609 MQMNMFLOTFXECD-JYFHCDHNSA-N 431.967 5.002 30 40 IKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccc(Cl)cc1 13097502 SVSLTKPRECYPQG-QHCPKHFHSA-N 425.923 6.376 30 40 IKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 13842920 ORJDKSRGLNQLJY-UHFFFAOYSA-N 440.544 5.036 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@@H](C)Oc1ccccc1 13850567 WQFLLAPHCHUQON-GOSISDBHSA-N 436.581 5.458 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 16735777 FOTAODVASHTWEO-VWLOTQADSA-N 425.528 5.897 30 40 IKEB C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CC(=O)Nc2ccc(Cl)cc2)c1=S 16768650 LGQLVLITBSMYIS-UHFFFAOYSA-N 441.000 5.857 30 40 IKEB CCCOc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 27019107 PDQSCKRBPKFUEK-LTGZKZEYSA-N 428.444 5.948 30 40 IKEB COCc1cc(C)nc(N/N=C\c2cccc(OCc3cccc4ccccc34)c2)c1C#N 31833869 NBHYDOIPYNPOQZ-MWLSYYOVSA-N 436.515 5.586 30 40 IKEB N#C[C@@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C(=O)O)c1ccccc1 36656487 VMPUKTYEEWVQHV-OAQYLSRUSA-N 428.538 6.532 30 40 IKEB Cc1ccc(S(=O)(=O)ON=C2C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)cc1 73336589 MTAKRODIHJFYMH-JWQCQUIFSA-N 434.561 5.265 30 40 IKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)sc1C 102882000 ZJTZTVJBQOBHSS-SELCWUDQSA-N 442.899 5.179 30 40 IKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C 253499438 HDTQUHRXMVKWMI-MFAAEJLFSA-N 442.728 8.638 30 40 IKEB biogenic CCCCCCCOc1ccc(C(C)(CC)c2ccc(OCCCCCCC)cc2)cc1 261509014 ZBRZCZRWMRIUTJ-UHFFFAOYSA-N 438.696 9.101 30 40 IKEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408545352 YDXRPGIYXBUULO-TURZUDJPSA-N 443.547 5.346 30 40 IKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C 408708914 NDQZNIDOYWGKLJ-UHFFFAOYSA-N 425.411 5.733 30 40 IKEB COc1cc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1OC 408721994 CAPMGWCZOZJORT-WGOQTCKBSA-N 430.529 6.254 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 408763486 PEZADDCQDUUQJY-XDHOZWIPSA-N 443.355 6.707 30 40 IKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 408782086 HAISATBPAQIXPH-FSJBWODESA-N 448.735 6.411 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1OC 408865458 ASYUCBFXRNCRTL-NFCIXBOMSA-N 436.577 5.887 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1O 408909466 CZUDJXHDYDHDMV-YCJCGMCGSA-N 444.556 5.904 30 40 IKEB COCCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N\c1ccccc1 408937370 QLQLDSSSHJXCAH-NKHYKUCGSA-N 437.348 5.340 30 40 IKEB C=CCN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O 409071764 ICJJSJWJMWYKNK-HYARGMPZSA-N 435.932 6.295 30 40 IKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br 409087435 UCMIAFJMKHEGHO-VSRRSJTHSA-N 445.426 6.683 30 40 IKEB CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)S/C1=N/c1ccc(Cl)cc1 409091669 RIJPSLXJOVDYJX-SGXAETBLSA-N 440.012 6.263 30 40 IKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl 409172984 NHDZCFVJHPUVOS-HXJASHHUSA-N 426.925 5.625 30 40 IKEB COc1cccc(/C=N/c2ccc(C3CCCCC3)cc2)c1OCc1ccc(C(=O)O)cc1 409185357 XWHUHOPOYNWSKX-RDRPBHBLSA-N 443.543 6.771 30 40 IKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 409219049 MSGHZOPXJAWBLX-BRJLIKDPSA-N 429.303 6.848 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 2332241755 JYDNKGUBLIKNAM-APWXFDQXSA-N 440.712 7.205 30 40 IKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)oc2c1 3050050 QNISAFDGXDMWNB-BHGWPJFGSA-N 441.712 6.675 30 40 IKEB C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 4073999 FVWJYYTZTCVBKE-PGROKZIJSA-N 442.728 6.997 30 40 IKEB biogenic CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 8384349 WSCAKRWHDMLFCI-IBGZPJMESA-N 438.505 5.006 30 40 IKEB CCOc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 8451584 HIJAXYPXZLERBN-YSMPRRRNSA-N 445.028 6.492 30 40 IKEB C[C@@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N 8710564 WWYDROZIJODPRT-OAHLLOKOSA-N 436.309 5.552 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@](=O)Cc1ccc(Cl)cc1 9130778 LKSDEUWISFYTBY-LJAQVGFWSA-N 434.973 6.310 30 40 IKEB CN(Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N)[C@H]1CCCc2ccccc21 9499145 UHDLVPVHQBJGHS-QFIPXVFZSA-N 440.572 5.158 30 40 IKEB CCOC(=O)c1cc(C#N)c(Sc2ccc(Cl)cc2Cl)nc1-c1ccccc1 12338457 YCCBFQGKDLADPY-UHFFFAOYSA-N 429.328 6.255 30 40 IKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F 15018639 SDXIRRWDWVXMDW-RWPZCVJISA-N 434.536 6.366 30 40 IKEB N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(Cc1ccccc1)C2 23153768 RISXOCYLOJXCDY-UHFFFAOYSA-N 448.400 5.799 30 40 IKEB O=C(Cc1csc(-c2ccccc2Cl)n1)NCC#Cc1cccc(C(F)(F)F)c1 24986191 NTLZOMOFGOMKOP-UHFFFAOYSA-N 434.870 5.193 30 40 IKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(C)c(C)c3)c2c1 28182405 OEGDNQGXHQIMCN-UHFFFAOYSA-N 441.527 6.932 30 40 IKEB biogenic C(=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1)\c1ccc(OCc2ccccc2)cc1 59461380 FVGCLJVNGAORAS-PBGFEDEFSA-N 428.513 6.456 30 40 IKEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 83316732 OUSXNDNANFPUJF-MTJSOVHGSA-N 433.489 5.232 30 40 IKEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226340970 OTLIBRZUDYKLQB-VMPITWQZSA-N 440.120 5.525 30 40 IKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 408596420 ZACOWCVEZYVGIW-AFUMVMLFSA-N 440.883 5.777 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3CC)c2C)c1 408692044 CBPKHYZTSXSOKL-WGOQTCKBSA-N 429.524 5.086 30 40 IKEB CCOc1ccc(/C=N\c2ccccc2Br)cc1I 408904332 HZHXNEQVMIPICH-ZDLGFXPLSA-N 430.083 5.203 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1[N+](=O)[O-] 408908951 BCGALKIVVSBBQY-NNSJDREZSA-N 425.510 5.172 30 40 IKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409202754 UNOBRBMKLFLFDA-MFKUBSTISA-N 443.952 5.874 30 40 IKEB CCCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC 409210084 DLCFTFVHYXSDFA-LPYMAVHISA-N 437.321 5.846 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)S2)cc1 409240453 UABDKGMCNCTSOY-KQWNVCNZSA-N 430.598 6.600 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccc(OC)cc2)N(CC)C1=O 409241309 RAJWNHVWFFBRCI-RWBSCQHUSA-N 442.540 5.484 30 40 IKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 710781 WUMXPTFQJQQTPD-WNSKOXEYSA-N 440.490 6.746 30 40 IKEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 2099712 VNCULZCXSZTEGR-JMIUGGIZSA-N 441.339 5.666 30 40 IKEB O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 2128506 GWJRFJYXWFNIAX-VHEBQXMUSA-N 425.915 7.608 30 40 IKEB CC[C@H](C)OP(=O)(O[C@@H](C)CC)[C@H](c1cccc(Br)c1)C(C#N)C#N 3114526 NKOFMRPMDSNOGU-SUNYJGFJSA-N 427.279 5.977 30 40 IKEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 6239711 ASNMIOZKMQRAME-HSZRJFAPSA-N 447.918 5.170 30 40 IKEB CCOc1ccc(C(=O)C/C(=N/Nc2nc(-c3ccccc3)cs2)C(F)(F)F)cc1 8694814 CMAJJKNKVNSUHY-XHPQRKPJSA-N 433.455 5.812 30 40 IKEB O=C1C=C2C(=N[C@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 9272395 WCSNDIBBXOJAOR-HEHLMWRFSA-N 442.562 6.597 30 40 IKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)c1 12274890 ZQPLBAKYXDCSHL-YBFXNURJSA-N 443.355 6.762 30 40 IKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1 13567884 JASDNOBPPCLERG-MRXNPFEDSA-N 445.437 5.250 30 40 IKEB Cc1ccsc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 15945601 RPSZMEKANDWJCC-AEIQVQRHSA-N 436.646 7.272 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)c(C)c1 30738664 UYKMZNFOAILKAG-QDJRPKQISA-N 437.634 6.468 30 40 IKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 33957373 VGYMEBWQLDCBIR-BKYLOLQDSA-N 438.518 6.325 30 40 IKEB Cc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n(C(C)C)c1=O 69375182 UTNIVIKWTXGUOG-DTQAZKPQSA-N 441.958 7.107 30 40 IKEB CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)S/C1=N/c1ccc(C(=O)O)cc1 100215433 FTZSQGZINRKOTN-INCSMEFSSA-N 444.512 5.198 30 40 IKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/C(C)=C\c1ccccc1 104376679 AVFQNOCRESGCFT-JUVNSSFCSA-N 443.745 8.021 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2ccc(CC)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 224477586 VWUPCCBVJXWGOT-UHFFFAOYSA-N 448.588 5.187 30 40 IKEB C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OCC)c1OCc1ccccc1 408589133 DCJKYWIPEQFGIL-RDRPBHBLSA-N 426.516 5.815 30 40 IKEB COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1OC 408723574 WWPCIUYHTKYHRP-CVKSISIWSA-N 434.948 6.898 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408723584 XFKQXHACAJANAR-AFUMVMLFSA-N 433.920 7.098 30 40 IKEB CCc1ccc(-n2c(C)cc(/C=N\NS(=O)(=O)c3ccc4ccccc4c3)c2C)cc1 408753379 MICCYTFUGMONHY-ONUIUJJFSA-N 431.561 5.122 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@@H](C)CC)c(Cl)c3)S2)cc1 408949531 BIFQSSLJMRADIZ-ZXOFLVKFSA-N 430.957 5.808 30 40 IKEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 409074102 XXJJRWDQBLFHGO-CVKSISIWSA-N 428.448 5.177 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(I)o3)c2C#N)C1 409081261 KFRJIJZZYRMWRO-OHBSIKEHSA-N 438.334 5.719 30 40 IKEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(C)(C)C)cc1 409289523 GWJKDERFEXDVCC-UHFFFAOYSA-N 442.357 5.029 30 40 IKEB CCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330436 MBCIAUUWAOZOBZ-NXVVXOECSA-N 442.450 9.102 30 40 IKEB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c3ccccc3n2)s1 2083625 WMTVTOKVXOFWPH-UHFFFAOYSA-N 443.597 6.726 30 40 IKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C#N)C1 2740258 PRFSQXPENOLKOG-GFCCVEGCSA-N 429.010 6.891 30 40 IKEB Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 3073136 MEGGNNHBYKJZGM-PCLIKHOPSA-N 446.484 5.575 30 40 IKEB C=C(C)CS[C@@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CC[C@H](C(C)(C)C)C3 4907130 RLVDOZLLKXBQFM-QMHKHESXSA-N 426.651 6.564 30 40 IKEB N#CC1(C#N)[C@H](c2cccs2)[C@@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@@H]21 8448578 YXTPEHBSPSFMKJ-ZLNRFVROSA-N 425.488 5.171 30 40 IKEB CCOc1ccc2c(c1)C(=NNc1c(Cl)cncc1Cl)c1cc(OCC)ccc1-2 8721884 SPBFSJOUMHNYED-UHFFFAOYSA-N 428.319 6.031 30 40 IKEB C[C@@H]1Sc2ccc(C(=O)N3CCCS/C3=N\c3ccccc3Cl)cc2NC1=O 8883207 UZPXJLAXWIVHQM-YUGZQCPWSA-N 431.970 5.040 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC 9232348 XESBNQKJKJQELW-RCCKNPSSSA-N 441.574 5.455 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1Cl 9374861 RGKVZZAQWZAPHF-OAQYLSRUSA-N 448.862 5.340 30 40 IKEB Cc1cccc(N/N=C2\C(=O)N(c3nc(-c4ccccc4)cs3)N=C2c2ccccc2)c1 13573838 RVFSYHROSLFGEO-NFFVHWSESA-N 437.528 5.338 30 40 IKEB CCCCCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 97951538 DFJULOPMUKHWBK-UHFFFAOYSA-N 443.444 7.562 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 100259712 XCYWWJXXNPXLAA-ZOVWXIRQSA-N 446.956 5.467 30 40 IKEB CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)S/C1=N/c1ccc(C(=O)O)cc1 100309461 YSCRMUFMNGTCOT-YCBMQGOFSA-N 432.501 5.171 30 40 IKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 100852785 HYOUVEWJVPDQFE-RMWKRFJVSA-N 449.638 5.736 30 40 IKEB CCCCCCCCOc1ccc(Cl)cc1/C=c1\sc2nc3ccccc3n2c1=O 103775614 GDBZHYZUKSWTEP-JWGURIENSA-N 440.996 5.850 30 40 IKEB CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(F)cc1 104376620 JTZGJUSGXZNYJD-FAJYDZGRSA-N 449.724 7.885 30 40 IKEB C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OCC)c1OCc1ccc(F)cc1 408593548 BEZCGPVHWSAUJI-OCSSWDANSA-N 444.506 5.954 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC 408724494 ANXQXRKUJUTUTH-PFMNSIPKSA-N 430.529 5.903 30 40 IKEB Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(F)cc1 408779009 OUSOQKLZBLAULI-JVWAILMASA-N 445.519 7.043 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)S/C1=N\c1ccc(C)cc1 408910231 GJMKRSMMJAWPDX-JUMVDPBBSA-N 446.528 5.666 30 40 IKEB CCN(CC)c1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1 408932634 YMLQKWFCBRLHAI-VFCFBJKWSA-N 430.596 5.528 30 40 IKEB CC(C)COc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl 409043651 SQEKMHOYZXONHK-UHFFFAOYSA-N 435.347 6.156 30 40 IKEB O=C1C2=C(NC(SCc3ccccc3F)=N[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 1384528 IERBLXBUYYMVPN-JOCHJYFZSA-N 444.487 5.096 30 40 IKEB C=C(C)Cn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2253580 RNCCOPQFVAJILX-UHFFFAOYSA-N 442.628 6.455 30 40 IKEB CC(C)(C)c1cc(/N=C/C=C\C2=C3N(CCC2)c2ccccc2C3(C)C)cc(C(C)(C)C)c1 6142335 PQNSURMKLICNHT-ZDQSCIKASA-N 440.675 8.386 30 40 IKEB COc1ccc(NC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)CSCC3)cc1 8706674 UCDVGQLNNFSUDV-UHFFFAOYSA-N 447.585 5.149 30 40 IKEB O=C(Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] 8995327 DJXRKRPJYJIITR-AFUMVMLFSA-N 447.834 5.873 30 40 IKEB C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 9261540 CWDMSIQLYQLERE-HXUWFJFHSA-N 441.000 5.537 30 40 IKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 9892598 SAFXLVSSTUUKRG-NTUHNPAUSA-N 428.684 5.447 30 40 IKEB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCS/C1=N\Cc1ccccc1 12529023 JXMSAJLELJCKCQ-IZHYLOQSSA-N 429.570 5.709 30 40 IKEB C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CC(=O)Nc2cccc(C)c2C)c1=S 16768647 MWDCLAFFRQSDTN-UHFFFAOYSA-N 434.609 5.820 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c(OC)c1 27533676 GRGJAQWAZGWUTR-FRKPEAEDSA-N 442.846 5.268 30 40 IKEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 34766636 BPAMXDVKVSLFPZ-NUGSKGIGSA-N 446.787 5.052 30 40 IKEB O=c1[nH]c2ccc(/N=C/c3c(OCc4ccccc4Cl)ccc4ccccc34)cc2[nH]1 100384201 GGTYASFKJZIJPA-MZJWZYIUSA-N 427.891 5.992 30 40 IKEB CCOc1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)cc1 108844997 GNOOEHVAKZEXPR-WGOQTCKBSA-N 445.427 5.460 30 40 IKEB CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)S/C1=N/c1ccccc1 208522885 MZGRQHQDTHPBJA-WFFFFOTMSA-N 445.632 6.641 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc(C)cc2)C1=O 214459254 FBQZXPHYPSWFAE-XDHOZWIPSA-N 444.350 5.559 30 40 IKEB N#Cc1c(N)nc(SCc2ccc(Br)cc2)nc1Cc1ccccc1Cl 223667198 PMXMCTUVDWMGBJ-UHFFFAOYSA-N 445.773 5.229 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(Cc2ccccn2)CC1 257296966 RFFGFRJZISBDJG-UHFFFAOYSA-N 439.603 5.184 30 40 IKEB C=CCc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(OCC)c1O 408881584 NNDQXLVFEYADNW-UNOMPAQXSA-N 428.941 5.373 30 40 IKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)o1 408898881 YCPVDOKFNJTUHU-NDENLUEZSA-N 435.461 5.063 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(Br)c2)C(=O)N1C 408909839 FELSNQXZGCQSMI-FTIPTLOASA-N 431.355 5.254 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 408962998 WZYSSRZMQGPXOE-BUVRLJJBSA-N 429.589 6.418 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)S2)cc1 408967727 XGCIKSWZNPRQSQ-HYARGMPZSA-N 444.512 5.164 30 40 IKEB CCCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)OCC)CCCC2 409062820 BHWVIIJNOPLZIM-WPWMEQJKSA-N 435.589 6.886 30 40 IKEB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1C 409316675 ZIELGFPDAZFYFE-BUVRLJJBSA-N 445.540 5.741 30 40 IKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 850671 OEBKJALWIHQWQI-AUEPDCJTSA-N 428.673 5.762 30 40 IKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1OC 1097762 ONWRRUVUXMKAKW-NSYGIPOTSA-N 432.545 5.745 30 40 IKEB C=CCN/C(S)=N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4136674 TWADNKXCZHJPEX-DYMLFOFBSA-N 439.588 5.438 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1 6195154 CMTFTCNVYACLQC-YDZHTSKRSA-N 428.317 6.066 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NC1CCCCC1 6474284 ZYASSPMDJXLOMP-UHFFFAOYSA-N 427.573 5.828 30 40 IKEB CCc1c(O)c(/C(C)=N/OCc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 8384786 JLVBJKQPWCETHB-ZTKZIYFRSA-N 438.527 5.713 30 40 IKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C(C)(C)C)C3 8432067 JQHKDFZWAHJFST-HNNXBMFYSA-N 440.634 5.885 30 40 IKEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 9043464 WVONAXLVMLGYRK-OAQYLSRUSA-N 448.544 5.250 30 40 IKEB C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc([N+](=O)[O-])cc1 9805650 NFDZXXPGUOQRCV-UHFFFAOYSA-N 431.315 5.094 30 40 IKEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1Cl 12390521 BADWNKMRBXKOES-UHFFFAOYSA-N 442.968 5.338 30 40 IKEB Cc1cccc(C)c1/N=C1\c2ccccc2C2=NC(=O)N[C@@](c3ccccc3)(C(F)(F)F)N21 14092644 PDPNBRKRUUTBAI-ZFPFFWPSSA-N 448.448 5.582 30 40 IKEB COc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)ccc1OC(=O)c1cccs1 25388485 CGCVQZYLILFRFI-DHRITJCHSA-N 437.908 5.624 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)nc1 34795951 LENVLVPFRGGQQA-OPVMPGTRSA-N 435.242 5.461 30 40 IKEB COc1ccccc1/N=C(\c1ccc(N(C)C)cc1)N(Cc1ccccc1)Cc1ccccc1 49967678 DLYGLGJMKDZOBC-NVQSTNCTSA-N 449.598 6.542 30 40 IKEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 59193770 YUWJTFLZWBOIGK-LSFURLLWSA-N 438.336 5.589 30 40 IKEB C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccccc1 59426427 NJFLXUQGAJJPRF-NVZLDUMVSA-N 431.473 5.645 30 40 IKEB FC(F)(F)c1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 59514355 OIPSGPSEZKXPDF-JFLMPSFJSA-N 449.440 5.824 30 40 IKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1cccc2ncccc12 100505606 POVZPZQTLHCKRU-LOIXAWJCSA-N 444.585 5.785 30 40 IKEB CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100867421 FWTXLNDFQLJULY-KAYWLYCHSA-N 433.677 6.548 30 40 IKEB Cc1cccc(Cn2c(C)c(/C=C3\SC(=N)[C@H](c4nccs4)C3=O)c3ccccc32)c1 136774457 XONUIYXPPCBQFA-XKSJYPCPSA-N 443.597 6.181 30 40 IKEB C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1O 408773596 VMYKQUYELZTHSG-CNEDASOKSA-N 445.382 5.045 30 40 IKEB C/N=C1/S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1C 408854208 ZQGTZTGMSGDOBK-RHFGJHFGSA-N 425.312 5.243 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1c(C)cccc1C 408906043 GVWKFENAOVYWGK-HPJGCCTDSA-N 445.382 5.698 30 40 IKEB Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)ON=C2c2ccccc2)cc1 409082951 UHFYOJNEKXOYMA-STZFKDTASA-N 448.316 5.681 30 40 IKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409117027 MVOALQCVPHRZAG-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(C)c1 409216466 LKACDDYUGAWVBH-DHRITJCHSA-N 428.757 7.049 30 40 IKEB C=CCOc1c(Br)cc(/C=C2\SC(=S)N(CCC)C2=O)cc1OCC 409348462 SUJOMNVKPWLUEM-PTNGSMBKSA-N 442.400 5.024 30 40 IKEB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 537740 MXZYUFNILISKBC-ZTHGNWFUSA-N 440.502 5.198 30 40 IKEB FC(F)(F)c1cnc(-n2nccc2/C=N/OCc2c(Cl)cccc2Cl)c(Cl)c1 3134655 XMVZGYVXBVSXPP-MWRNPHMMSA-N 449.647 5.797 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1O 3162694 FOQYRPXNCJOMQS-AUEPDCJTSA-N 428.231 6.166 30 40 IKEB CN1/C(=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)Sc2ccc(Cl)cc21 8435196 LEGFWWCGZGFWME-CCSRSWJSSA-N 449.988 6.519 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccc(F)cc1 9043055 OKTCCZOTRGHVAI-HXUWFJFHSA-N 448.450 5.357 30 40 IKEB C=CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 9095136 CUNYULOBYNDRQS-PPHZAIPVSA-N 449.554 5.379 30 40 IKEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2scc(-c3cccs3)c2c1=O 13059147 FNTNBJJJULERHH-UHFFFAOYSA-N 441.559 5.573 30 40 IKEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)c(C)c1 13145904 YUUSNIORDCAQLF-XDHOZWIPSA-N 440.977 6.593 30 40 IKEB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C1=C(CCCC1=O)N2 14361079 JPRAHKPNPIIFKS-XMMPIXPASA-N 445.994 6.696 30 40 IKEB Cc1ccc(/N=C(/NNc2ccc([N+](=O)[O-])cc2)P(=O)(OC(C)C)OC(C)C)cc1 15937638 LJEBYCSLFNZBGO-UHFFFAOYSA-N 434.433 5.551 30 40 IKEB CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=N\c2ccccc2)/C1=N\c1ccccc1 18206266 NLFNSWMTPUMXMU-KOUJMYIZSA-N 443.601 5.400 30 40 IKEB CCc1ccc(C(=O)C2=CN(c3cccc(CC)c3)c3ccc(F)cc3S2(=O)=O)cc1 32950856 DWYJHUSQLPFUOO-UHFFFAOYSA-N 435.520 5.600 30 40 IKEB C/C(=N\Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)c1ccc2c3c(cccc13)CC2 59417934 KSJFVMYBVPBSEX-KCSSXMTESA-N 449.562 5.303 30 40 IKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 100145065 WUAROROZZYANGT-USXRGHEGSA-N 429.903 5.831 30 40 IKEB N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C/Nc1ccccc1-c1ccccc1 100403633 FVARQXMNMCDWDV-BUHFOSPRSA-N 432.310 7.270 30 40 IKEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(Cl)cc1Cl 408722214 FIFHZIBCMYONHI-GFMRDNFCSA-N 429.259 5.705 30 40 IKEB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(N(C)C)cc1 408959537 AQGYJBWGJUJLPV-YJMOJNCUSA-N 434.609 5.367 30 40 IKEB Oc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br 409211341 ITZYTVQPOTVWGB-WSDLNYQXSA-N 447.126 6.460 30 40 IKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc2ccccc2c1 409214807 UPMMOKRVEIWYCC-BOSNEQTGSA-N 431.605 6.336 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1 409215878 GAMBXRBRKZSLMI-HUOZHCEOSA-N 438.593 5.753 30 40 IKEB C=CCOc1ccccc1C=Nn1c([C@H](C)CC)nc2ccc(Br)cc2c1=O 409326638 MSKHLJGRMJOOKH-OAHLLOKOSA-N 440.341 5.120 30 40 IKEB O=C1C(=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)c2ccccc21 685944678 RWMRLOSVMAYMHG-UHFFFAOYSA-N 440.502 6.823 30 40 IKEB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 781282 VNTBBYYGWZQXCW-UZUQRXQVSA-N 437.561 5.015 30 40 IKEB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3C(=O)O)o2)Sc2ccccc21 2213694 YUGDJXPDQBBXSE-ZDLGFXPLSA-N 427.275 5.737 30 40 IKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 4083815 WAYFDJBVLLARPK-FOKLQQMPSA-N 441.281 5.004 30 40 IKEB O=C(Nc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1)c1cccc(Cl)c1 4181474 PVUHLAWCBYWVKD-FOKLQQMPSA-N 430.247 5.610 30 40 IKEB CCOCCC/N=C1/Sc2nc3cc(C)cc(C)c3cc2CN1C1CCC(C)CC1 4926882 NJLDBEVLZMDWBY-OCEACIFDSA-N 425.642 6.121 30 40 IKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C(/C=C/c3ccccc3)C3CC3)N=C2O)cc1 8386179 KOOIHWWTGDBETJ-ZWUDMEQPSA-N 432.549 5.231 30 40 IKEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 8743985 ALZYLWKJWLFBPC-JOCHJYFZSA-N 446.503 5.072 30 40 IKEB CCCOc1c(Br)cc(/C=N/NCc2ccccc2Cl)cc1OCC 8811948 XNVLSGYXKHMATC-WSDLNYQXSA-N 425.754 5.414 30 40 IKEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 9379961 JANGBGBWWOSSEW-LJQANCHMSA-N 428.271 5.365 30 40 IKEB COc1ccc(CC(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 9971385 XDXOHXLWLKACDI-OAQYLSRUSA-N 439.342 6.147 30 40 IKEB C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 10022527 TXOUNTYLZDPTCN-CYBMUJFWSA-N 430.599 5.439 30 40 IKEB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N\Nc1ccc2ccccc2c1 12403915 ZJEHKTWLLIMQRQ-MEFGMAGPSA-N 445.935 5.807 30 40 IKEB O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)c1cccc3ccccc13)c1ccccc1N2 12652242 CYTHPCXEIGZFQS-MHZLTWQESA-N 434.495 6.254 30 40 IKEB CCCC/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 12879938 OCZBOARDNALPQX-OCEACIFDSA-N 433.577 5.844 30 40 IKEB COc1ccc(CN/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1OC 20195936 IJXURALUJMFJMS-ZMOGYAJESA-N 429.314 5.158 30 40 IKEB O=c1c2c(-c3ccccc3)csc2ncn1/N=C/C(Br)=C\c1ccccc1 33679853 IKSKHQSYTSVFNT-KLLNZUQLSA-N 436.334 5.395 30 40 IKEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2Cl)cc1 44859084 ZLLGNARPMMGWAF-QFIPXVFZSA-N 432.911 5.119 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1cccc(F)c1 59104951 CHHWCTWLCTWFBB-SXVBQMOPSA-N 440.540 5.064 30 40 IKEB FC(F)(Cl)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)C(Cl)(Cl)Cl 95682115 ZUBPFQXYAINABF-LWMBPPNESA-N 436.768 6.268 30 40 IKEB COc1ccccc1OCc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N 223691156 WPDUTOLLLVLTIV-UHFFFAOYSA-N 447.347 5.117 30 40 IKEB C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(Cc2cccc(C)n2)CC1 257222140 DSCQHTDFLCFTCG-UHFFFAOYSA-N 445.632 5.246 30 40 IKEB CCN1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N/c1ccc(N2CCCCC2)cc1 408930514 YAMCUAMZGRVWIX-VLYZUMCXSA-N 441.984 5.660 30 40 IKEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C 409043578 NCTPQYAUVYXVOY-WQLSENKSSA-N 442.771 5.406 30 40 IKEB CC(C)COc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(C)C1=O 409060547 XEYBBYUPBPZLAB-MSBDOUPJSA-N 444.940 5.307 30 40 IKEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1C 409358904 HSMLRRUTVVSQNN-UHFFFAOYSA-N 438.622 5.245 30 40 IKEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)ccc1OC(C)=O 717357 WODUYBBJFUQHIG-DEOSSOPVSA-N 442.515 5.369 30 40 IKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)n(CC(=O)Nc2ccccc2)c1=S 1073900 VRLJZYXFVYWMFY-UHFFFAOYSA-N 427.554 6.123 30 40 IKEB CCCCCCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 2396506 XFWRLQYQTWDKGI-UHFFFAOYSA-N 446.551 5.351 30 40 IKEB CCOc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3ccccc3n2)c1 2769434 KQSRGWDCPIKGDT-UHFFFAOYSA-N 439.540 5.975 30 40 IKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C 3667442 SYKIJTGLLQMAQW-HXNPFYCNSA-N 444.556 6.291 30 40 IKEB O=C(Nc1cccc(Cl)c1)O/N=C(/COc1ccccc1[N+](=O)[O-])c1ccccc1 8857084 NCIKMGIFMRFZIU-MOHJPFBDSA-N 425.828 5.280 30 40 IKEB C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 8859258 CMVDREQNMYIPNJ-QGKGSZSTSA-N 441.483 6.181 30 40 IKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1Cl 9374865 RGKVZZAQWZAPHF-NRFANRHFSA-N 448.862 5.340 30 40 IKEB COc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c(OCc2ccccc2)c1 11617256 KWEXEUOOPDALAJ-JXMROGBWSA-N 436.891 5.690 30 40 IKEB biogenic Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1c2ccccc2cc2ccccc12 12464609 NTOXDXURZCUULB-ZMFRSBBQSA-N 449.366 6.729 30 40 IKEB COc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 12648498 SZXSHNPTJPJYAG-BSFXODIDSA-N 448.522 5.980 30 40 IKEB C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1 13112471 VBTJYJJOQWBUDA-UHFFFAOYSA-N 447.589 5.294 30 40 IKEB Fc1c(F)c(F)c(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(F)c1F 16429476 OZDSIHCEQOSVJS-HCBMXOAHSA-N 431.158 5.851 30 40 IKEB CCO[P@](=O)(C#CC(C)(C)C)[C@H](NCc1ccccc1)c1ccc(Br)cc1 16688014 PUUDWNUNBVTUBV-KDYSTLNUSA-N 448.341 6.559 30 40 IKEB CCc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC)cc1 18152698 IIVXHNFOHNOQFN-LECRTAGSSA-N 449.498 5.248 30 40 IKEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)O2 18196527 LVADXVUHQUATHL-JOCHJYFZSA-N 449.348 5.534 30 40 IKEB O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCOCC2)cc1 48252873 KQKZCOCKAQRIPF-CSKARUKUSA-N 438.321 5.442 30 40 IKEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(OCc4ccccc4)cc3)nc1-2 59459293 KKUXSIJFCGUAHB-JVWAILMASA-N 426.541 6.247 30 40 IKEB N#Cc1sc(-c2cccc(Cl)c2)cc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O 84579384 NAFHPBJNPRFUPK-INIZCTEOSA-N 435.936 5.470 30 40 IKEB CCOc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 100223297 BKSBJZRIXRIOKB-LMTJQJACSA-N 444.556 5.464 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1F 101425162 NYERKWMLQMHCRD-SGEDCAFJSA-N 443.547 6.335 30 40 IKEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 102368758 LPVSOYZFSIQTAP-MOBKVPTQSA-N 448.906 5.149 30 40 IKEB CCc1ccc(-c2nc(/N=C/c3ccccc3OC)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722576 LCXFJYIDPMGYBI-WGOQTCKBSA-N 443.528 6.707 30 40 IKEB C=CCc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc(OCC)c1O 408806857 BZOVCHFQQYYRFJ-UHFFFAOYSA-N 429.949 5.244 30 40 IKEB N#Cc1ccccc1COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 408901843 HUMCSTDSEJJMTN-HYARGMPZSA-N 428.538 5.543 30 40 IKEB CC[C@@H](C)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408911769 KOJNELNERQNFOB-YBHKXRAPSA-N 440.565 5.423 30 40 IKEB N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccccc3)c(Br)c1)CCCC2 408977719 FITHJULDADBOCB-UHFFFAOYSA-N 434.337 5.423 30 40 IKEB C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OCC)c1OC 409082194 RNYJZTAXSSOJBM-MOHJPFBDSA-N 438.527 5.657 30 40 IKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 409213211 STJYKRJGULQFEJ-LGJNPRDNSA-N 442.328 6.543 30 40 IKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C 409218159 SUMZSCZGVFGCAJ-BRJLIKDPSA-N 429.303 6.848 30 40 IKEB C=CCc1cc(/C=C2/Sc3ccccc3C2=O)cc(OC)c1OCc1ccc(Cl)cc1 409333793 WDEKVIQGQFNFCN-BUVRLJJBSA-N 448.971 6.986 30 40 IKEB C#CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 409346579 NWZLEKMVOOYLIO-WOJGMQOQSA-N 449.475 5.132 30 40 IKEB C=C(C)[C@@H]1C[C@H](c2ccc(CC(C)C)cc2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037879021 DEYQCNXSJKNLKK-SHWFOLOFSA-N 440.555 6.314 30 40 IKEB O=C1/C(=C\c2ccc(Br)cc2)CCC/C1=C\c1ccc(Br)cc1 1622718 HXRSOYCNABLYMF-RFTYBOQRSA-N 432.155 6.432 30 40 IKEB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(Cl)cc2)cc1 2446721 MHXJNNAHAKLEBI-UHFFFAOYSA-N 432.936 5.760 30 40 IKEB O=C1/C(=C2\C(=O)c3ccc(Cl)c4c(Cl)ccc2c34)Sc2cc3ccccc3cc21 8870403 DPGLOCIWCWIAST-HIXSDJFHSA-N 433.315 7.196 30 40 IKEB CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2ccc(OC)cc2OC)c2c(C)oc(C)c21 9065000 OCVLRMFLQLGZQC-UHFFFAOYSA-N 445.515 5.749 30 40 IKEB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 9530889 PUNJQDNEQDEVMZ-SPLOXXLWSA-N 425.315 6.248 30 40 IKEB Brc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 12464513 WCKHDOFNDAMKOH-ONUIUJJFSA-N 432.365 5.171 30 40 IKEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(SCc2cscn2)cc1 12764377 PQJFSECWAAAVQP-UHFFFAOYSA-N 432.492 5.236 30 40 IKEB Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(C)C)cc1C 13098532 CMXAGOVCKWZHEI-XUKXGFMLSA-N 427.545 5.059 30 40 IKEB C=CCN(C(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1)c1nc(-c2ccccc2)cs1 14229469 CBKMHAHHWHKFTJ-YQQQUEKLSA-N 442.675 5.942 30 40 IKEB C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1[C@@H](C)Oc1ccccc1Cl 19648417 JPIXIAMXHWIBGF-MRXNPFEDSA-N 449.020 5.189 30 40 IKEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCc1ccc(F)cc1 35352493 QRJBCIDGWWQNKY-OKYLLYMWSA-N 440.521 5.288 30 40 IKEB F/C(=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 103531375 FFOVLEHRJLYJMU-IWQZZHSRSA-N 446.100 6.531 30 40 IKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Br)cc1)C2=O 118916330 CTGFFXZZHKKDLF-HGPOAJNESA-N 441.453 7.444 30 40 IKEB C#CCOC(=O)c1cc(Br)c(OCc2ccc(F)cc2Cl)c(OCC)c1 216830617 BGYIJLRCTHVBRL-UHFFFAOYSA-N 441.680 5.009 30 40 IKEB C=CCn1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c2ccccc21 408631626 ACZRYFODFWMCOZ-UNOMPAQXSA-N 436.924 5.484 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC(C)C)c2C)nc2ccccc21 408692550 PAFLZRRAUHCJKH-JVWAILMASA-N 443.551 5.475 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)S2)cc1 408759294 BOIIKHNQGZXEAY-HAHDFKILSA-N 431.561 5.557 30 40 IKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408850314 LEKDZWBXOIMJDR-FOKLQQMPSA-N 431.717 5.959 30 40 IKEB CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 408946043 XZFFVZAVOACMJF-LUFODCTDSA-N 442.990 7.624 30 40 IKEB CCOc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1ccc(F)cc1 408979090 LEFRYPRVQOXHIN-UHFFFAOYSA-N 439.490 5.986 30 40 IKEB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O 409154112 MSENIKDCBHBFIC-IWIPYMOSSA-N 442.540 6.127 30 40 IKEB CCOc1cc(Cl)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 409237220 IKXGEFXHKMFZMN-GIJQJNRQSA-N 437.348 5.601 30 40 IKEB N#Cc1c(/N=C/c2cccc(OCc3ccccc3)c2)oc(-c2ccco2)c1-c1ccco1 409378332 OAPZLCSTRPAEDV-STBIYBPSSA-N 434.451 7.001 30 40 IKEB N#CCOc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409402277 GZCDWZRPIMLMEX-UHFFFAOYSA-N 430.467 5.001 30 40 IKEB CCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ccc(O)cc13)O2 2049080 ROWVTODRWLDREG-LJAQVGFWSA-N 442.603 7.495 30 40 IKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C#N)C1 2082041 GINRSMLGSRKRLT-CQSZACIVSA-N 431.399 6.176 30 40 IKEB COc1ccccc1/C=C1\S/C(=N\c2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O 2083875 BHJMIYJHPKGHJO-SIFZUIMESA-N 442.584 6.737 30 40 IKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O 2128137 FRBVDOPMDIZHET-PSHHWHLWSA-N 444.870 5.883 30 40 IKEB biogenic C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nc2sc(C)c(C)c2c1=O 2403632 WSARWOUWKLOICM-UHFFFAOYSA-N 441.622 5.334 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1O 3169563 SAHGWOHZZZLWDJ-LSHDLFTRSA-N 425.853 5.687 30 40 IKEB CC[C@H](C)c1ccccc1OCCCOc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 8874987 ALPLUMUZFQUUBP-RUTRRBQKSA-N 447.535 6.402 30 40 IKEB COc1cc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)ccc1OC(C)=O 9433981 QSUKHSAPCDIWRD-RUZDIDTESA-N 429.497 5.487 30 40 IKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1 9497116 SDSFXVLNHZHGPF-UHFFFAOYSA-N 431.527 6.740 30 40 IKEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl 12524510 VUAKNUODZRBLQK-YTFSRNRJSA-N 441.943 5.686 30 40 IKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 13110217 DLXLREYHFKOVOH-SFHVURJKSA-N 434.348 5.576 30 40 IKEB Cc1cccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 19855753 HJOQYSGLJXDDSS-VFCFBJKWSA-N 440.568 6.141 30 40 IKEB O=[N+]([O-])c1ccc(-c2csc(N/N=C\c3cccc(OCc4ccccc4)c3)n2)cc1 31854463 LAJCVTZFNQXPLE-OYKKKHCWSA-N 430.489 5.743 30 40 IKEB COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1c(C)n(C)c3cc(C)ccc13)=C2 62001459 WHICLONRJAYFHR-UHFFFAOYSA-N 432.564 5.303 30 40 IKEB biogenic CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccc(OC)cc3)c(C)c2s1 72228870 TWNQBMKEULCGJN-QFEZKATASA-N 426.542 5.137 30 40 IKEB CCCCCCCCCCCCCCCCNC[C@H](C)Oc1ccccc1[C@H](C)CC 100023682 XWWTVMGSPSROHZ-SXOMAYOGSA-N 431.749 9.038 30 40 IKEB O=C1/C(=C/c2ccc(Br)o2)S/C(=N\c2ccccc2)N1C1CCCCC1 100056714 ZCWDKFBPYYYJMF-PJICLEDRSA-N 431.355 5.979 30 40 IKEB CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 253617998 JKWKMORAXJQQSR-UGOKDKHPSA-N 428.657 7.181 30 40 IKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1ccc(F)cc1 408527421 ALIYCCINBHMRTQ-BKUYFWCQSA-N 438.911 5.950 30 40 IKEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408928706 DSFQHSWSLIHTIW-DBPHPPTCSA-N 430.957 5.158 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)S2)cc1 408954785 VBXDNELWYZSCKO-HYARGMPZSA-N 435.524 5.524 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OCC)c(OCC)c2)C1=O 409002372 NLNNENIYSYYGPK-HKWRFOASSA-N 439.533 5.028 30 40 IKEB CCN1C(=O)/C(=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 409145959 PGJKBQRDFGHHFC-WWAHWXIYSA-N 431.561 5.360 30 40 IKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccc(F)cc1 989098 QAQIOXBFLSQYTD-UHFFFAOYSA-N 437.443 5.570 30 40 IKEB aggregator Cc1ccc(F)cc1NC(=O)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 2277215 JBDKOEHYXSOMOL-UHFFFAOYSA-N 428.279 5.295 30 40 IKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)c2C#N)C1 2344068 JWWCACHAGZHTNP-JTQLQIEISA-N 446.022 5.739 30 40 IKEB CCCCCCCCOc1ccc(/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1 2406995 SAHYVMBMRZNBDO-LQKURTRISA-N 434.515 5.638 30 40 IKEB C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccc1 2449448 GKEQMIPWZCXCJY-UHFFFAOYSA-N 442.544 5.654 30 40 IKEB CCc1ccc2oc(-c3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3O)nc2c1 3032420 ZSTGTMNDNXJVAT-OPEKNORGSA-N 427.287 6.526 30 40 IKEB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(C)c3)S2)cc1 6500816 OUUOMCCLLYKORX-MONKAWABSA-N 439.581 5.072 30 40 IKEB CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 9184902 KWIUMPRZTZTLAA-HXUWFJFHSA-N 446.484 5.071 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 9363743 BKFIBDWKIPCPQA-KLLNAIOJSA-N 441.597 5.755 30 40 IKEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1C 12550974 VZZLUUSEURTYAA-ACCUITESSA-N 433.504 5.292 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(OC)cc1 14083237 ZDSONBSJVXMRRT-UHFFFAOYSA-N 449.363 5.177 30 40 IKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 34259052 DWEPIGOXVJDYFM-ZDLGFXPLSA-N 442.855 5.329 30 40 IKEB COc1ccc(CCNc2oc(-c3ccc(COc4cccc(C)c4)o3)nc2C#N)cc1 39404131 YKSUXZXPXFAEHV-UHFFFAOYSA-N 429.476 5.357 30 40 IKEB Cc1ccc(-c2nc(/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463701 CFTMPYXPNQIDBT-ZVHZXABRSA-N 444.472 6.353 30 40 IKEB CCCC[Sn](CCCC)(O/C(C)=C/C(C)=O)O/C(C)=C/C(C)=O 196005888 UVDDHYAAWVNATK-VVDZMTNVSA-L 431.161 5.048 30 40 IKEB CCN1c2cc(C)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2C(C)=CC1(C)C 208522023 LVRLIFIPWLMQQV-GOESLVMASA-N 431.605 6.251 30 40 IKEB C=CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225062612 SIUJAHFAFRSWAU-UHFFFAOYSA-N 436.758 5.637 30 40 IKEB COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1Cl 408533225 QEAIGMVSVROTGL-KHHYFDFNSA-N 448.975 6.774 30 40 IKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 408585106 ACTIHQVINTWJOO-UHFFFAOYSA-N 438.793 7.094 30 40 IKEB Cn1c(N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)nc2ccccc21 408659198 OVMUBXQXWGMBPH-DHRITJCHSA-N 425.319 5.905 30 40 IKEB Clc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)c(Cl)c1 408721209 MLBYYYZZZTXRMP-LSFURLLWSA-N 435.108 6.414 30 40 IKEB O=[N+]([O-])c1cccnc1N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 409103162 BFDLBWFSFNRBCB-VULFUBBASA-N 432.867 5.821 30 40 IKEB O=C1Nc2ccc(Cl)cc2C1=Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 409109761 KUEGKDSNNCMFQL-UHFFFAOYSA-N 441.984 5.416 30 40 IKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409337411 YGKBFSRHSQDYPA-UCQKPKSFSA-N 433.485 5.902 30 40 IKEB CSc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409377814 KACMWPLNTNLGTA-DHRITJCHSA-N 428.916 5.969 30 40 IKEB O=C(c1cccc(OCc2cccc(F)c2)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242776 LGIUVBSTZPGROT-UHFFFAOYSA-N 448.256 6.056 30 40 IKEB COc1ccccc1/C=N/c1ccc(Oc2ccc(/N=C/c3ccccc3OC)cc2)cc1 1882088 HKYJFJYBGMISHG-CZYCKNNWSA-N 436.511 6.997 30 40 IKEB CC(=O)C1=CC[C@H]2[C@@H]3CC[C@@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 2130515 LISUREDJGUCUNG-AFZVXAGDSA-N 439.640 5.677 30 40 IKEB biogenic Cc1cccc(Nc2nnc(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)s2)c1 3262436 JDMMVGJAZGGZKT-DEDYPNTBSA-N 436.606 5.563 30 40 IKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 6177783 CHMMRYNERNPVPI-WSDLNYQXSA-N 432.159 6.370 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)S/C1=N/c1ccccc1 8451930 VAZLWADNTQRQKV-HZMZRVLWSA-N 447.354 5.090 30 40 IKEB CCCCOC(=O)c1ccc(NC2=C(c3ccc(OC)cc3)C(=O)c3ccccc32)cc1 8856949 OESZIVKODCNPPK-UHFFFAOYSA-N 427.500 5.829 30 40 IKEB Cc1nc2ccc(/N=C3\S/C(=C/Nc4ccc(C)c(Cl)c4)C(=O)N3C)cc2s1 8927955 NRNLJULMUJRGLZ-KNNUAVEPSA-N 428.970 5.713 30 40 IKEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3nc4ccccc4s3)c(=O)oc2c1C 9303856 MHJMDDHRPOJYHR-UHFFFAOYSA-N 434.517 5.156 30 40 IKEB Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2S[C@@H](C)C#N)c1 9491212 VRYWTOXDDNYXSK-AWEZNQCLSA-N 433.364 5.774 30 40 IKEB N#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc1 9845969 NAUKMNVUBKJARB-GRSHGNNSSA-N 438.270 5.218 30 40 IKEB CCCn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2ccc(C(F)(F)F)cc21 12520215 CVLCXEYQWASSSI-BFUOFWGJSA-N 426.508 5.000 30 40 IKEB COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3cccc4ccccc34)c2Cl)cc1OC 13040998 WLYKLGGSGVHJDK-OUKQBFOZSA-N 446.934 5.960 30 40 IKEB C/C(=N\OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1 13306064 AKOOWZMDMWNBHZ-NDZAJKAJSA-N 435.483 5.865 30 40 IKEB Oc1ccccc1/C=N/[C@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@@H]12 13381955 PPJFANUQDXSZTQ-YFJLYKJDSA-N 426.516 5.656 30 40 IKEB Brc1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 13590718 CGYDWJBWWXJJQS-LGUFXXKBSA-N 434.381 5.190 30 40 IKEB C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccccc1Cl 13734395 NZFZCDRKSHXHKB-QHCPKHFHSA-N 440.996 6.848 30 40 IKEB COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 16575669 LHPMLCRUGATGCJ-UHFFFAOYSA-N 438.564 5.883 30 40 IKEB CN(C)c1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3n2C(F)(F)F)cc1 16684587 MKUVIFUUCSVVCN-CAPFRKAQSA-N 435.449 6.002 30 40 IKEB N#CC1(C#N)[C@@H](c2ccsc2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21 19938719 SXFNBWGSJKKUGK-ZDXQCDESSA-N 425.488 5.297 30 40 IKEB O=C1/C(=C/Nc2ccccc2Cl)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 20575847 OEJRBTXDUFYFKV-WQRHYEAKSA-N 448.928 5.027 30 40 IKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182448 DBGDDNVVIJTJOT-XYGWBWBKSA-N 432.564 5.902 30 40 IKEB COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1 30742955 BMJXXZBZQDANFB-RWBSCQHUSA-N 444.556 5.551 30 40 IKEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)S/C(=N\C2CCCCC2)N1C1CCCCC1 33551910 RUEZTFZDHSUNSJ-SIDNSYPESA-N 437.653 6.225 30 40 IKEB CCCCCCCCCCCCCCCCCOC(=O)CC(Cl)=C(Cl)Cl 98006131 SUUCVIQCMZOIGP-UHFFFAOYSA-N 427.884 8.677 30 40 IKEB COc1cc(/N=C/c2c(O)ccc3ccccc23)ccc1NC(=O)c1cc2ccccc2o1 102417228 VCJAKKYCJUBGGA-LQKURTRISA-N 436.467 6.303 30 40 IKEB C=CCN(Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 224477129 CKAGDTCPXULITH-UHFFFAOYSA-N 448.588 5.241 30 40 IKEB CCCCCCOc1c(Cl)cc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1Cl 408542578 MIBOBJFUJZUXAJ-XMHGGMMESA-N 449.403 6.844 30 40 IKEB CCn1c(N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)nc2ccccc21 408692373 LCLDAALBRJZQJS-MFKUBSTISA-N 449.352 5.844 30 40 IKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 408870869 XTEIWACEMWDDOO-UCQKPKSFSA-N 427.504 5.720 30 40 IKEB O=C1/C(=C\c2ccc(OC(F)F)cc2)S/C(=N/c2ccccc2)N1C1CCCCC1 409174661 WSJCOMLTPHZGBA-ZNURURQISA-N 428.504 6.225 30 40 IKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(I)cc3)c2C)cc1 409186563 DUNVQXFNZCDHOJ-UCQKPKSFSA-N 444.316 5.848 30 40 IKEB CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br 409209108 FVOAADAFZUASKL-AWQFTUOYSA-N 431.555 6.323 30 40 IKEB Cc1cccc(C)c1-n1c(C)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1C 409401262 AVHJFKQRVBZKDQ-UHFFFAOYSA-N 446.554 5.970 30 40 IKEB C=C(Br)CSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 2316272 KPGIXEPMXHGITM-UHFFFAOYSA-N 434.428 6.072 30 40 IKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1cccc2ccccc12 3019808 PJPDUHHUSSOTPZ-QPRJYHLLSA-N 445.613 6.614 30 40 IKEB CCCCCN1C(=O)/C(=N/n2c(-c3ccc(Cl)cc3)cs/c2=N\C)c2ccccc21 3337627 PJGTTYRCSUZWMW-GDBNUEIYSA-N 438.984 5.190 30 40 IKEB C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1F 3378328 MXKNLGGLVQDZPJ-UHFFFAOYSA-N 432.318 5.008 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 6246079 PHOPGGLGXPJYTM-UHFFFAOYSA-N 426.972 7.541 30 40 IKEB C(=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1)\c1c2ccccc2cc2ccccc12 8435298 YSAXLRRQBDQJRM-TURZUDJPSA-N 436.563 5.429 30 40 IKEB COc1cc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC 8437020 XGLXGSZNGFDZKV-UYRXBGFRSA-N 429.472 5.586 30 40 IKEB N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c(-c2ccccc2)n1 8965908 QUBSQSUURKXMLG-SANMLTNESA-N 433.515 5.230 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)c1 9196548 YDBRMUNNQKPJRO-LGJNPRDNSA-N 444.362 5.701 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1 9301908 JSDYBNDVMQTLCO-OAQYLSRUSA-N 444.487 5.527 30 40 IKEB Fc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccccc1 9720418 SCTWQVPNWBPYEK-JVWAILMASA-N 429.520 5.878 30 40 IKEB CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 13145557 VXRKAEJOVJUQQA-CPNJWEJPSA-N 440.977 6.538 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C 19643808 PVKTZYSQXFLDJZ-RXFWQSSRSA-N 445.559 5.399 30 40 IKEB Cc1sc(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)nc1-c1ccccc1 59193830 QSMANZPIQOXOPU-CVKSISIWSA-N 433.964 6.797 30 40 IKEB CCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 100864083 XNUMMXZDRSMRNZ-HLYLYWOTSA-N 435.608 7.291 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1OCC 106787880 YPRNJTWJJAZWJA-JWGURIENSA-N 439.533 5.074 30 40 IKEB CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC 111883490 ACBFJMAXNZVRRX-UHFFFAOYSA-N 446.672 8.282 30 40 IKEB in-vitro N#Cc1cn(C(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c2ccccc12 226361820 ADSGVFQAFHOUFJ-UHFFFAOYSA-N 425.669 5.877 30 40 IKEB O/N=C(C(=N\N=C(C(=N/O)/c1ccccc1)\c1ccccc1)/c1ccccc1)\c1ccccc1 256055469 HYRFZPMJBRICST-GPWBUVJASA-N 446.510 5.637 30 40 IKEB O=C(/C=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1 408625166 WSIFEAMVAWSEKK-FYWRMAATSA-N 443.340 7.077 30 40 IKEB Cc1ccc(-n2c(C)cc(/C=N\c3cccc(I)c3)c2C)cc1C 408743201 ZPUJYGJPCKQHKY-QRVIBDJDSA-N 428.317 6.066 30 40 IKEB Cc1cc(N=C2NC(=O)/C(=C/c3ccc(OC(C)C)cc3)S2)cc(C)c1Br 408764759 JWMKNYFTYMKGST-WQRHYEAKSA-N 445.382 5.745 30 40 IKEB C[C@H](NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 408816334 YHSFYSSKRDOSPR-IMVGLAPISA-N 427.331 6.000 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)S2)cc1 408879093 CLEVYDOOLGVMNV-HAHDFKILSA-N 430.529 5.474 30 40 IKEB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)SC1=Nc1ccccc1 408959773 FRKHGHLXGVLNRI-JXJWTFEASA-N 444.512 5.198 30 40 IKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCC2)c(F)c1 409064427 DJKKRFDIXXUIBL-ZDLGFXPLSA-N 436.339 5.624 30 40 IKEB CCOC(=O)c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 409112000 BFXZJRLGHBOALK-OYKKKHCWSA-N 440.908 6.327 30 40 IKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 409214067 XNTCAXFCGDLMLD-DHRITJCHSA-N 444.756 6.749 30 40 IKEB Cc1ccc(COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Br)cc1 409214571 YGNMKHHFNOHCDU-DHRITJCHSA-N 428.757 7.049 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(OCC)c1OC 409350769 ZAGJBVPJTVSAAV-STZFKDTASA-N 439.602 5.845 30 40 IKEB COc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)o1 409386623 VWVYJBWFEIHAHG-JVWAILMASA-N 442.471 6.060 30 40 IKEB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@](C#N)(c1ccccc1)C2 751971 YFZFDLMPFJTDOG-VWLOTQADSA-N 430.529 5.127 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(OC(F)F)cc1 3240438 OEZSSOPSVBXHFL-UHFFFAOYSA-N 439.439 5.351 30 40 IKEB COc1ccc2nc(Cl)c(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)cc2c1 9292337 OPBSSERVLVFHDS-LUOAPIJWSA-N 445.935 6.015 30 40 IKEB Cc1ccc(-c2csc3ncnc(SCC(=O)[C@@H](C#N)c4nc(C)cs4)c23)cc1 9788900 HVUPMRPYHFXBLL-OAHLLOKOSA-N 436.587 5.400 30 40 IKEB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c(OC)c1OC 13218505 UFCRYBCNWONLPH-FQEVSTJZSA-N 445.515 5.490 30 40 IKEB CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2cccc3ccccc23)C1=O 13617241 HUHMPQIMRFPRLA-BUMUASTJSA-N 447.560 5.101 30 40 IKEB O=[N+]([O-])c1ccc(COc2cccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)c2)cc1 15945076 BTSCXLVQNOJKAZ-JQAMDZJQSA-N 437.324 5.315 30 40 IKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(CC)s1 18038380 VEHPKAAVCHEUTI-RCDICMHDSA-N 427.591 5.297 30 40 IKEB Clc1ccc(-c2csc(N/N=C/c3cccc(Br)c3)n2)c(Cl)c1 33377764 VQRATKFZUBQMEW-DNTJNYDQSA-N 427.154 6.325 30 40 IKEB CCCc1sc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1Br 36611178 LCKIZAZNPGSHGX-SDNWHVSQSA-N 441.390 6.938 30 40 IKEB CCCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 100867999 PJJHGXVGZRWLMN-ROJZAWDXSA-N 449.635 7.681 30 40 IKEB CCN1CC[C@](O)(/C=C/c2ccc(C(C)C)cc2)[C@H](C(=O)/C=C\c2ccc(C(C)C)cc2)C1 104318265 WZLWYHADODLHEK-MCHAKECOSA-N 445.647 6.302 30 40 IKEB C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224961307 SSHXRKDSSUSDHG-UHFFFAOYSA-N 440.270 5.402 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 245241927 UELTYJDTQILMTO-OHRFLYHBSA-N 446.553 6.671 30 40 IKEB O=C(Oc1ccccc1/C=N/c1ccccc1Cl)c1sc2ccccc2c1Cl 408734232 JDLZBWVWEHQBSJ-DHRITJCHSA-N 426.324 7.178 30 40 IKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)c(Cl)c3)c2C)c1 408967436 RJPCPJHMXVIPSV-VULFUBBASA-N 438.911 5.461 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)S2)cc1 409103608 APMSBMYUZNGIQX-STZFKDTASA-N 436.989 6.691 30 40 IKEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OCC 409126016 DMHMQGKWPDCHMB-CPNJWEJPSA-N 433.957 5.367 30 40 IKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 409209817 JEGKKPFKONIKBC-UFFVCSGVSA-N 445.582 6.713 30 40 IKEB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O 409234307 ZDXRMXJDCNRKKD-YBFXNURJSA-N 425.579 5.352 30 40 IKEB COc1cc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)ccc1O 409303558 HTBKDQPBLJHRFV-UHFFFAOYSA-N 445.862 5.060 30 40 IKEB COc1cccc(-n2c(C)cc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)c2C)c1 409401237 AROVYBCZSNJHLE-UHFFFAOYSA-N 448.526 5.362 30 40 IKEB COc1ccc(/C=N/N=C(\S)Nc2ccccc2)cc1COc1ccc(F)cc1F 8691611 JWLFCUTXESSEDM-DHRITJCHSA-N 427.476 5.284 30 40 IKEB COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc(OC)c1OC 9972234 VOONULXUNBRPOD-MQNRADLISA-N 446.503 5.285 30 40 IKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 16196190 WFPCETNNZLDDSG-ZDLGFXPLSA-N 436.316 5.808 30 40 IKEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 226333897 CCKGAOHTUAAOHH-XBXARRHUSA-N 440.120 5.525 30 40 IKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 408596475 ZOTDRUBJTPMLGO-AFUMVMLFSA-N 440.883 5.777 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 408812329 OMYSACVVDWYHFA-UNOMPAQXSA-N 429.925 5.322 30 40 IKEB C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)ccc1OCc1ccccc1Cl 408849285 ZAOLPNMYTRZIPQ-SHSCQTOKSA-N 440.996 5.960 30 40 IKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1OC 408865466 ASYUCBFXRNCRTL-XNKVAACQSA-N 436.577 5.887 30 40 IKEB CCN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 408929424 JLYAXFBQTRBUOL-REHDBGDWSA-N 425.985 5.954 30 40 IKEB C=CCc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 408930280 UXASHAINFMLECP-OYPKHVMMSA-N 442.968 5.188 30 40 IKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(C(C)C)cc1)c1ccc(C)cc1 408974014 UOEDHGMEQQQKQC-BYLIZPFLSA-N 425.576 5.886 30 40 IKEB Cc1nc(N)c(C#N)c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1-c1ccccc1 408980505 RNZWWYNKIIPMGN-UHFFFAOYSA-N 436.471 5.665 30 40 IKEB CCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)c(Cl)c2)cc1 2022866 VMHZPWQTARQKDE-UHFFFAOYSA-N 447.918 6.383 30 40 IKEB CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 2764215 KEHRIDXLPHRIIU-LBPRGKRZSA-N 449.418 5.392 30 40 IKEB COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 8398829 XPAPGBPONYQLKQ-BHGWPJFGSA-N 437.839 5.830 30 40 IKEB COc1ccc(/N=C2/S/C(=C\c3c(C)[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 8451630 YBGYWIGKLVPOKY-WFFFFOTMSA-N 445.588 6.422 30 40 IKEB COc1ccc(CN(CCC#N)CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1OC 9070948 RRSOUPVPFREUEZ-AWVRMFGXSA-N 449.639 5.108 30 40 IKEB C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccc(F)cc1 9327922 DCOQCZBAQNUCAV-UHFFFAOYSA-N 437.540 5.036 30 40 IKEB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 12376485 ZRWUUPHGWIYMQT-RVOSABIYSA-N 439.367 6.798 30 40 IKEB C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 12908864 HXXFQLGKLAWEKU-UYRXBGFRSA-N 425.941 5.078 30 40 IKEB CCCC/N=C1\Sc2nc3cc4c(cc3cc2CN1Cc1ccccc1Cl)OCO4 13511180 GJNPRJQSYFMDIM-BZZOAKBMSA-N 439.968 5.881 30 40 IKEB COc1ccc([C@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 13567784 IHAPDFSSYZCFFN-GOSISDBHSA-N 449.547 5.185 30 40 IKEB Cc1ccccc1/N=C1\S/C(=C\c2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C 15930050 GLNJMEZRLIUPJR-QUSCMMCHSA-N 432.501 5.229 30 40 IKEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 17057241 QSCBHLWORUNFBM-SFHVURJKSA-N 436.876 5.326 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC)c(OCC)c1 20672317 YXSSLCVJNOHAEP-DEOSSOPVSA-N 447.535 5.242 30 40 IKEB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 59314295 RSYAEGYTIQGKTB-KBSFFUMNSA-N 428.701 8.248 30 40 IKEB biogenic C=CCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 59484216 NHNPLTAYKYQWFJ-WPWMEQJKSA-N 445.975 7.141 30 40 IKEB Cc1c(Cl)ccc2c1NC(=O)/C2=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 100065325 BVROTRJGTLVYTB-VDKMMFHJSA-N 445.931 5.779 30 40 IKEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1ccc(/N=N/c2ccccc2)cc1 101441874 WBNPBXALIXYIRU-POVUZCFVSA-N 427.424 5.201 30 40 IKEB O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1OC(F)F 102153208 KVECTVBCPWCDFM-UHFFFAOYSA-N 429.263 5.343 30 40 IKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C(=O)O)cc3C)c3ccccc32)c1 408544116 SBLXHQDWYPVSFM-MZJWZYIUSA-N 426.472 5.233 30 40 IKEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(C)cc1C 408561196 YUVZHCOBVNDLJT-UHFFFAOYSA-N 442.588 5.556 30 40 IKEB N#Cc1ccccc1CO/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408595284 LVSAECOSVYCECB-LQKURTRISA-N 437.455 5.749 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408740503 LECMKJCGOBSWNF-WEMUVCOSSA-N 426.563 8.179 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 408807749 FCPFEMGVXBLYNM-ULJHMMPZSA-N 427.525 6.235 30 40 IKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 408911015 IOKVUJQNIQEJAW-BUWHHMLQSA-N 440.612 7.097 30 40 IKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(=O)OC)cc2)C(=O)N1C1CCCCC1 408911947 LCXYFMFWKGBYBF-LQLRGMOSSA-N 448.588 5.972 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccc(C)cc1 408914098 SRZSJDLZAVLWJE-LBMUFILHSA-N 447.516 6.177 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1)c1ccc(Cl)cc1 408977509 WBUAWJVXYLXEQD-MTDXEUNCSA-N 431.992 7.583 30 40 IKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OCC)c(Cl)c2)C1=O 408995415 CNHSPDJUBCLZTD-AQTBWJFISA-N 429.925 5.282 30 40 IKEB CCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)S/C1=N/c1ccc(Cl)cc1 409091645 RAJMJSBBHDLAKV-AGSDWXNQSA-N 446.956 5.380 30 40 IKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C 409199814 DYIRTCYNHRGZPF-HPUZYZMBSA-N 446.016 5.845 30 40 IKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409379963 DFGOUOMQDDYICZ-RPPGKUMJSA-N 431.294 6.209 30 40 IKEB CCC1=C(CC)[C@@H](CC)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O 1108191 BQIGNKOHMRZTIZ-UUOWRZLLSA-N 425.594 5.744 30 40 IKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cccc(-c4nc5cc(Cl)ccc5o4)c3)o2)cc1 3205502 CQPZJHAPZGIALI-VULFUBBASA-N 443.846 7.067 30 40 IKEB CCOc1ccc2cc(/C=C/C(=O)c3c4ccccc4cc4ccccc34)c(Cl)nc2c1 4018212 WLTUYJLAJXFZAF-WYMLVPIESA-N 437.926 7.489 30 40 IKEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 6446781 CUJOTAGGSCRGOE-MDWZMJQESA-N 430.847 5.653 30 40 IKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccc(Cl)cc1 9232252 TYEUUJVZSBOPRP-UHFFFAOYSA-N 433.847 5.422 30 40 IKEB COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1 9264189 HANDTTIIHNGZHT-MHZLTWQESA-N 444.962 6.529 30 40 IKEB COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 9422494 QLBSSUNCONHWPN-ZVHZXABRSA-N 439.467 5.331 30 40 IKEB CC(C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(SC(F)F)cc1 12650438 ILSGGCLLEHRKLD-YEUWRSSNSA-N 449.548 5.370 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/Nc2ccccc2Br)cc1 13895887 QRHCEQAWIRZJJZ-HYARGMPZSA-N 444.354 5.004 30 40 IKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 20228642 MAFIBKQOCLKYDH-YDZHTSKRSA-N 434.477 5.238 30 40 IKEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1 31854271 MYPIDUAGIKJSKG-AWQFTUOYSA-N 440.135 5.262 30 40 IKEB COc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 33665646 NJORMWDVDORMNK-RMWKRFJVSA-N 440.543 6.073 30 40 IKEB Cc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c(Br)c1 35288723 ZETVGIDBKJTIAU-UHFFFAOYSA-N 426.339 5.217 30 40 IKEB CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(OCC(=O)O)cc2)cc1 59663620 ZCSUOODNNQGTPX-SGWCAAJKSA-N 439.596 7.200 30 40 IKEB O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1 100328840 QPCAXJZBLTYCSM-OBUXZSPNSA-N 425.513 5.875 30 40 IKEB COc1c2c(cc3c1[C@@H](CC(/C=C\[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 108234789 SVSPODGIYWQUSW-ROTSNUHVSA-N 426.557 5.112 30 40 IKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C#N 225780117 LBGANHHRDATRIY-UHFFFAOYSA-N 433.335 5.341 30 40 IKEB COc1cc(/C=N/c2ccc(O)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408543441 RCLYETLEZOROMU-MTDXEUNCSA-N 444.531 5.357 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 408764224 LSEIKVWZJGZOFD-JLPGSUDCSA-N 444.556 5.728 30 40 IKEB C#CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408818411 XWWPEKDXDACULW-BOPFTXTBSA-N 447.741 5.006 30 40 IKEB Cc1ccc(COc2ccc(Cl)cc2/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408941733 PNCQHRICJSZQCW-FMCGGJTJSA-N 440.843 5.490 30 40 IKEB C=CCN(C(=S)Oc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1)c1ccccc1 408977718 XFSUKTQFWLRRQF-UHFFFAOYSA-N 440.528 5.238 30 40 IKEB C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OCC)c1OC 409068355 IMHCYFLZGODTLW-UHFFFAOYSA-N 435.564 5.256 30 40 IKEB COc1cccc(Oc2ccc(N/C(C)=C/C(=O)c3ccc(Br)cc3)cc2)c1 409097778 OLIVQEZNISDZRD-JQIJEIRASA-N 438.321 6.449 30 40 IKEB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(O)cc2)nnc1-c1ccccc1 409192690 FGDVQHQSGVKFNM-BUVRLJJBSA-N 445.504 5.481 30 40 IKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccc(OC)cc1 409312023 JIEIBBFCDMPTFP-CCXCBMFUSA-N 440.341 5.058 30 40 IKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 409339973 NUEGWBHCRQIENG-ATVHPVEESA-N 438.412 5.548 30 40 IKEB C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@@H]2[C@@H]1C(=O)C1=C[C@](CC(C)C)(OC)NC1=O 1086455204 XLZMSDIJSDSYBH-GYAAMCSKSA-N 427.629 5.602 30 40 IKEB O=C(Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1)c1ccccc1Cl 2223352 DKNWEYKCAVKJPI-UHFFFAOYSA-N 438.266 5.501 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cc(Cl)cc(Cl)c1O 6077185 NKHUQNISLANXKO-HSZRJFAPSA-N 438.354 7.162 30 40 IKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(Cl)c1 9497762 TZAKUXOMXMWHQF-UHFFFAOYSA-N 447.391 5.786 30 40 IKEB N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2 12955876 VCJYRUILKYKFRC-UHFFFAOYSA-N 448.495 5.002 30 40 IKEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 13095855 DKSGKFAHSLYVHS-RULQDPSVSA-N 429.929 5.172 30 40 IKEB COc1ccc(/C=N\c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 14406272 BYHZZGJEKGTRPY-QFEZKATASA-N 449.919 6.798 30 40 IKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)c2C#N)C1 17102958 BXKDYKRYQRDGRQ-HNNXBMFYSA-N 438.980 6.936 30 40 IKEB C=CCn1c(-c2ccc(C)cc2)c(NC(=O)CC)s/c1=N\c1cccc(C(F)(F)F)c1 27015912 YNXRBQWWIBAVSY-QYQHSDTDSA-N 445.510 6.311 30 40 IKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4C)ccc3C1=O)cn2C 28182459 DJOPIGKWMZNAFR-ZRGSRPPYSA-N 425.484 5.691 30 40 IKEB CCCCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 97998501 NVQXUTHHPKTCBU-UHFFFAOYSA-N 444.579 6.290 30 40 IKEB CCCCC(NCCc1c(C)[nH]c2ccc(C)cc12)=C1C(=O)CC(c2ccccc2)CC1=O 100140297 ANGAHHILOTWVEP-UHFFFAOYSA-N 442.603 6.077 30 40 IKEB COc1cccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 102589227 UMQVFVJDTWTEQV-MOBKVPTQSA-N 433.891 5.283 30 40 IKEB C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccc(OC)cc12 257173663 UOXLNYIYPISSFF-HOFFSEQDSA-N 428.532 5.038 30 40 IKEB COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc(F)c1 408527226 BJVPRXPMPWXIPI-UCQKPKSFSA-N 448.519 5.613 30 40 IKEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)nc2ccccc21 408692592 QEIXXWTYSQVCGT-ZVHZXABRSA-N 436.357 5.672 30 40 IKEB C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC 408766010 NSQQZDOHYIAILG-UYRXBGFRSA-N 428.941 5.367 30 40 IKEB Cc1cc(-n2c(C)cc(/C=N\c3ccccc3F)c2C)ccc1I 408789516 JUWLEYFPOIRUCP-FMCGGJTJSA-N 432.280 5.897 30 40 IKEB C#CCOc1ccc2ccccc2c1/C=C1\S[C](Nc2cc(Cl)ccc2OC)NC1=O 408820567 YQYBHKLCYBCATR-UHFFFAOYSA-N 449.939 5.277 30 40 IKEB CC[C@H](C)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408911765 KOJNELNERQNFOB-TXZQYPECSA-N 440.565 5.423 30 40 IKEB Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c2C)c(C)c1 408964850 HVXLBDRDKAALIK-LPYMAVHISA-N 433.552 6.050 30 40 IKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)S2)cc1 408966595 PISKXNAVZPFVFQ-WOJGMQOQSA-N 432.929 5.036 30 40 IKEB CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(CC)C1=O 409056031 FZTSANXHYVLDJC-XFKFKZEQSA-N 444.940 5.451 30 40 IKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3O)cc12 409278996 HJDKWBKDTJYZGF-UHFFFAOYSA-N 445.862 5.060 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 409405194 NDSZYXOQRRJUFX-UHFFFAOYSA-N 436.427 5.114 30 40 IKEB Cc1ccccc1-n1c(C)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1C 409408176 WSXINTKQRVMRLJ-UHFFFAOYSA-N 432.527 5.662 30 40 IKEB O=C(Oc1ccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1)c1ccco1 802249 SCXIQYFNSGAGAY-JFLMPSFJSA-N 442.858 6.711 30 40 IKEB Cc1ccc2occ([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccccc3)C4)c(=O)c2c1 883183 WJFKHABEGSLKLN-GDJIYFAZSA-N 448.522 6.081 30 40 IKEB biogenic Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cnn(C)c3)C3=C2CC(C)(C)CC3=O)cc1 2767932 SKSYCUAYYKHFOS-UHFFFAOYSA-N 443.591 5.619 30 40 IKEB N#C[C@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 3366223 KRVHDTCPMVGTAD-NZQKXSOJSA-N 440.528 5.007 30 40 IKEB CCN1/C(=C/C(=O)c2ccccc2Oc2ccccc2)C(C)(C)c2c1ccc1ccccc21 6147167 KSTGRXNWUITMJT-VFCFBJKWSA-N 433.551 7.516 30 40 IKEB COc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 8854071 DEZICCZLCIZYLH-UHFFFAOYSA-N 436.536 6.271 30 40 IKEB N#CC1(C#N)[C@H](c2ccsc2)[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]21 8965075 ISXHHSLHOQHZBA-ZLNRFVROSA-N 441.943 5.686 30 40 IKEB COC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 12139024 VGICGCCKSXYXKM-UHFFFAOYSA-N 436.536 6.366 30 40 IKEB Cc1ccc(-c2nnc(N/N=C/c3cc(C)n(-c4ccccc4)c3C)c3ccccc23)cc1C 12524276 YTTAEXLOUPEBSD-UXHLAJHPSA-N 445.570 6.767 30 40 IKEB Cc1sc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C 14271469 JAJOUVHFNKPONN-UHFFFAOYSA-N 440.402 5.885 30 40 IKEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccc(Cl)cc1Cl 17198190 QXMGGJVLJXDJCG-UHFFFAOYSA-N 441.165 5.885 30 40 IKEB O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 27527966 QNJCHTIBPTZZFL-JLPGSUDCSA-N 439.898 6.417 30 40 IKEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1cccc(Cl)c1 44085747 MSUVKMYIIHQFLO-UHFFFAOYSA-N 428.901 5.029 30 40 IKEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 59105821 GLHZAVJVAKPNBV-QRVIBDJDSA-N 445.494 5.859 30 40 IKEB CC12CC3(C)CC(C)(C1)CC(C(=O)/N=C1\N=C4C=CC(Cl)=CN4Cc4ccccc41)(C2)C3 102658078 KMHOPZNJRPOSGI-SWKFRHMKSA-N 448.010 6.211 30 40 IKEB O=C1C[C@H](c2ccco2)CC(O)=C1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Oc2ccccc21 230106317 RGXYSKFXYUNLBJ-TWKFVSLJSA-N 442.467 5.708 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408737460 AXCPMZGVMMFPGE-FSJBWODESA-N 444.260 5.521 30 40 IKEB CCn1c2ccccc2c2cc(/C=C3\SC(=Nc4ccc(Cl)cc4C)NC3=O)ccc21 408847833 SMSNRASRBYCCDV-UCQKPKSFSA-N 445.975 6.668 30 40 IKEB C=CCc1cc(-c2nc3ccccc3s2)cc(OCC)c1OCc1ccccc1Cl 409189219 MYSXGKQBTUXGNV-UHFFFAOYSA-N 435.976 7.323 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)C)cc1 668291 SSFNBGIQQXYZPA-SANMLTNESA-N 432.564 6.027 30 40 IKEB O=C(O)COc1cccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c1 2076325 MRYAVTGIDHXNGI-AULJNTNUSA-N 436.533 5.087 30 40 IKEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1cccc(C(F)(F)F)c1 3171590 NRXBHFZOVBRXCM-UHFFFAOYSA-N 435.858 5.199 30 40 IKEB O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OC(=O)C3CCCCC3)ccc21 9547248 YUGSYQBJGVHXKA-FBHDLOMBSA-N 440.879 5.308 30 40 IKEB C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 11866363 SMFFDQTZIAORDX-UHFFFAOYSA-N 435.398 5.705 30 40 IKEB biogenic CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1F 11914359 ZDZRPDQAASTLEJ-JOCHJYFZSA-N 425.500 5.239 30 40 IKEB CCOc1ccc(OCCCC(=O)N2CCCS/C2=N\c2ccc(C(C)=O)cc2)cc1 13097479 ZQLWMNLCHKTLRB-IZHYLOQSSA-N 440.565 5.100 30 40 IKEB C=CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(CC)cc1 13129738 HVKKWIJYLWSTAL-NRFANRHFSA-N 434.927 5.179 30 40 IKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 15973377 SVTAXIKJBLEKHE-YKSBVNFPSA-N 433.511 5.124 30 40 IKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)cc1Cl 28629508 DGQIPVZGRSNMMJ-LJQANCHMSA-N 443.883 5.332 30 40 IKEB COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 59463695 ARKLOOIYWVBLTR-MFKUBSTISA-N 429.501 6.453 30 40 IKEB CCCCCCC/N=C(/CC)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 102990262 MGEZIJXPNADMCO-QFEZKATASA-N 438.519 6.376 30 40 IKEB O=C(NCc1ccco1)c1c(/N=C\c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 106775942 UDXGDKWDIJDQJR-MRUKODCESA-N 449.359 5.913 30 40 IKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 245241810 PXDOMWMSMCFAEF-RUJWJUTNSA-N 444.562 6.254 30 40 IKEB CCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1cc(C)ccc1C 408906708 DHZQOBXJFZEYLH-AUCMGLCLSA-N 431.355 5.395 30 40 IKEB CCOc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1ccccc1C#N 408977961 GJOCOQXRDZRLOC-UHFFFAOYSA-N 446.510 5.719 30 40 IKEB FC(F)(F)COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409047990 VMFNZEZGZLPNCW-FEDGQQDLSA-N 436.249 5.495 30 40 IKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12 409201459 NEMGTDYTXNXUBJ-JVWAILMASA-N 430.345 7.240 30 40 IKEB Cc1ccc(C)c(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c1 409217604 QPACKBRBKBZJLU-WKULSOCRSA-N 434.366 8.093 30 40 IKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N/c1ccc(F)cc1 409242442 NOPIOSYYROCKBJ-VCICBFQVSA-N 449.551 5.866 30 40 IKEB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(OC)c1O 409345989 MCUGTGHCBQTQRP-WQRHYEAKSA-N 429.588 5.257 30 40 IKEB C(=N/N1CCN(/N=C/c2ccc(-c3ccccc3)cc2)CC1)\c1ccc(-c2ccccc2)cc1 1700764 NVZHXALZPYSPSN-QBRCKEFASA-N 444.582 6.006 30 40 IKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2ccc(Br)cc2)cc1 3140542 OSZCMIRKLTVHCW-NTFWDIDUSA-N 430.301 6.638 30 40 IKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)s1 3412735 DPRXFBGXUAFXHV-UHFFFAOYSA-N 440.377 5.386 30 40 IKEB Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3)c2C#N)cc1 6246524 JEIQDCZZBJJZIK-UHFFFAOYSA-N 435.552 6.327 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1 9271235 IUOMLGBWBNUDHI-QFIPXVFZSA-N 440.524 5.696 30 40 IKEB Cc1ccc(NC(=O)CSc2nc(CCc3ccccc3)c3c(c2C#N)CCCC3)cc1 12645115 PXUJLFMLYCMDTJ-UHFFFAOYSA-N 441.600 5.657 30 40 IKEB COC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(-c3ccccc3)cc2)cc1 12660665 YHAUXDNPGZYEDO-KDJFERLWSA-N 446.506 5.747 30 40 IKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1)c1cccc(C)c1C 12971730 PCDXDIXRGJAOJW-VAWYXSNFSA-N 444.478 6.359 30 40 IKEB COc1cc2c(cc1OC)[C@@H](c1sccc1C)C1=C(C[C@H](c3cccs3)CC1=O)N2 18200058 HZZDGHGPDKORAN-RCDICMHDSA-N 437.586 6.093 30 40 IKEB Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)cc1CSc1ccc(Cl)cc1 19841975 RWDLYWLDZXGHKU-UHFFFAOYSA-N 448.035 7.034 30 40 IKEB Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3cccc(C)c3C)S2(=O)=O)c1 20132836 MOKIVHYYRCSKMZ-BUVRLJJBSA-N 432.545 5.098 30 40 IKEB COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1 33348684 IPHUNEJHSDOCJV-HYARGMPZSA-N 434.492 5.305 30 40 IKEB CCCCOc1ccc(/C=C2/CCCC/C(=C/c3ccc(OCCCC)cc3)C2=O)cc1 39205039 DXHBHRMCGDUROF-ORFRIDJFSA-N 432.604 7.655 30 40 IKEB C=C(CCC)C1=C(C)C=C2C/C(=C\c3cccc4ccccc34)C(=C)[C@H]2[C@H]1c1ccccc1 54198339 HVURUKJRTJKPJS-RLDFKMCLSA-N 428.619 9.196 30 40 IKEB C=CC/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc2c(c1)OCO2 103371584 HYOZYQPGVIKPEV-YPADEYIUSA-N 432.332 5.221 30 40 IKEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n(C2CCCCC2)c1C 106920939 GAQZUPXOIGNYKK-JWQCQUIFSA-N 443.595 5.192 30 40 IKEB CCNC(=O)O/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](OC(=O)NCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118926875 ODSCMQMBEHYDCG-MLKBZWFKSA-N 445.604 5.166 30 40 IKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] 408861068 LZBKFSOBAJHIJF-UIHXCYCASA-N 435.549 6.086 30 40 IKEB CCOc1c(Br)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Br 409048332 SNHUHACTYWXLKO-GIJQJNRQSA-N 428.080 5.269 30 40 IKEB C=CCc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(OCC)c1OCCC 409070890 HGGNHPJFBAFUEZ-UHFFFAOYSA-N 435.564 5.304 30 40 IKEB Cc1c(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccccc1F 409107928 YFNZMCVZPZOQGC-VFLNYLIXSA-N 426.417 5.997 30 40 IKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409200664 JKANEJBBJTWHBX-MFKUBSTISA-N 443.952 5.874 30 40 IKEB COc1cc(Cl)cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1O 409276816 WSPRUMGYYKEDOK-UHFFFAOYSA-N 445.862 5.060 30 40 IKEB CC(C)Oc1ccc2ccccc2c1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409281363 MATVJCLZTLEWRM-UHFFFAOYSA-N 439.559 6.267 30 40 IKEB O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1ccco1 409306314 PMTFLWYSSOLGJY-UHFFFAOYSA-N 434.249 5.047 30 40 IKEB CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 709668 PNBMOJTYKBKKSI-PPHZAIPVSA-N 426.516 5.770 30 40 IKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 1414719 ADEQEXZDXRBQOC-QHCPKHFHSA-N 442.540 5.359 30 40 IKEB Oc1ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c(O)c1 13756669 GMGLSVRLSKNDJQ-BHGWPJFGSA-N 425.275 5.461 30 40 IKEB N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 25814165 PTRJOSTZQFKGOQ-UHFFFAOYSA-N 441.556 5.200 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)cc1 408762975 CWWBDOBLXSZKNO-HAHDFKILSA-N 432.520 5.859 30 40 IKEB N#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br 408806165 ACJFHCDFJARDMN-GDNBJRDFSA-N 449.713 5.246 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)S2)cc1 408815891 STQPBKFTHPRBOU-NHDPSOOVSA-N 439.943 6.087 30 40 IKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1 408900870 YHYUNVPIHLAEHM-ZHZULCJRSA-N 434.904 5.451 30 40 IKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1 408908301 BMKMTJKVEHFOPK-XKZIYDEJSA-N 426.270 5.382 30 40 IKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 408912704 QZFXCHUKDNEPRS-OXOFAPQTSA-N 434.948 6.411 30 40 IKEB CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccccc1 408912776 RJZJUVVKCRXVQK-NVZLDUMVSA-N 433.489 5.869 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)S2)c(C)c1 409006992 LZYLSODXTXSHDF-OYKKKHCWSA-N 429.589 6.219 30 40 IKEB C/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(OC(=O)c2ccccc2)cc1 409053089 XCUAYVXGJJKKLA-OVVQPSECSA-N 427.529 6.174 30 40 IKEB CCCCOC(=O)c1ccc(-c2ccc(/C=N/Nc3nc(C)cc(COC)c3C#N)o2)cc1 409063281 JXEWIVDUIZDNCP-JFLMPSFJSA-N 446.507 5.071 30 40 IKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409072487 CHRXMNCGYRPRKH-HZHRSRAPSA-N 431.513 5.650 30 40 IKEB CCCOc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 409087519 CUIHWVZDANHZGA-ZEHKLFRWSA-N 442.584 6.148 30 40 IKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccccc1Cl 409121417 ZQDCFNWSOUNKBL-UHFFFAOYSA-N 442.386 7.230 30 40 IKEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O 1081801589 WAORZBROFWIQDM-BTZNOAQDSA-N 434.394 5.031 30 40 IKEB CC(C)(C)Oc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384211 FIFQYJICWXWRHZ-NDZAJKAJSA-N 447.538 6.276 30 40 IKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)cc1 812874 NKZJACGFXGJYRH-XRHLQHRESA-N 442.515 5.389 30 40 IKEB Cc1[nH]c2ccccc2c1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4016916 XIVDZQQARCPIPT-WGOQTCKBSA-N 434.507 5.595 30 40 IKEB CCNc1ccc(Br)cc(C(=O)/C=C/c2cccc(Cl)c2Cl)c1=O 8398035 VIYIJBDAHBFZCU-RMKNXTFCSA-N 427.125 5.444 30 40 IKEB Sc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(N2CCCCC2)s1 9119313 NCJCHGATSSCWBK-LFVJCYFKSA-N 433.606 5.245 30 40 IKEB CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1 9264282 IXTIJJBSFVIQTD-SIBVEZHUSA-N 441.531 5.773 30 40 IKEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1Cl 12322693 AHJUJLIHRXDCAI-UHFFFAOYSA-N 428.941 5.029 30 40 IKEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 13879680 RTVFRNRQFNHUJT-UHFFFAOYSA-N 442.972 5.044 30 40 IKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cc(-c3nc4ncccc4o3)ccc2Cl)c1O 16431613 HTWQZZCRYFERCO-NUGSKGIGSA-N 429.219 5.561 30 40 IKEB Cc1sc(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)nc1-c1ccccc1 59193828 BRTNMAVHNASESL-CVKSISIWSA-N 433.964 6.797 30 40 IKEB Cn1c(=O)c(C(=O)/C=C/c2nc3ccccc3[nH]2)c(-c2ccccc2)c2ccc(Cl)cc21 79047092 ZAPGQGLSZPGISM-BUHFOSPRSA-N 439.902 5.631 30 40 IKEB Cc1cc(C)c2nc(N3C(=O)C(=O)/C(=C(/O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 102882425 JXSVYLLCVNFEBG-PGVNHDJNSA-N 444.512 5.441 30 40 IKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1cccc(F)c1 408596186 PYZSDPPLWFJFTM-CCVNUDIWSA-N 438.886 5.879 30 40 IKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)S2)cc1C 408806410 ASWYUKLVRZIKCN-UCQKPKSFSA-N 448.975 6.427 30 40 IKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 408820167 VSVZEERLYDFBRP-JLPGSUDCSA-N 445.515 6.374 30 40 IKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 408906346 IMPKTQKIOPDKMA-LBMUFILHSA-N 445.500 5.408 30 40 IKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(Br)c(Br)o3)S2)c1 408949735 BXBAULNZXIXLTD-GHXNOFRVSA-N 442.132 5.005 30 40 IKEB C=CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br 409067937 QWIPFOKHEXUPJT-LSHDLFTRSA-N 444.207 5.387 30 40 IKEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Cl)c1OCc1ccc(Cl)cc1 409183840 VLNKAXPFRWKJMB-KKMKTNMSSA-N 443.330 6.803 30 40 IKEB COc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC(C)(C)C 1531382564 KMJSCOYOOYMJKL-WPWMEQJKSA-N 427.504 5.132 30 40 IKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 809046 CETRNPAQZPQUDJ-RUZDIDTESA-N 442.471 5.786 30 40 IKEB C=CCC1(O)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 1596367 NEDCVYRPTZJRGF-UHFFFAOYSA-N 426.559 7.529 30 40 IKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2215537 FEIMNYRGYCVUEN-UHFFFAOYSA-N 445.954 5.907 30 40 IKEB Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(c1ccc(F)cc1)=N2 3199361 GCMAUYHEFSOPME-UHFFFAOYSA-N 443.322 5.748 30 40 IKEB N#Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c(N2CCCCCC2)cc1C#N 8384438 PAUMCLNXQUHMEY-UHFFFAOYSA-N 445.526 6.213 30 40 IKEB COCCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc23)S/C1=N\c1ccccc1 9311581 LPEWYPMWXQNSGF-OQNHBUHUSA-N 448.544 5.107 30 40 IKEB O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)s1 9403363 ZDWMVFHJNCBSFI-UHFFFAOYSA-O 439.916 5.341 30 40 IKEB COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 12951734 UKGQURNMPWDUHZ-KTBVQQIISA-N 435.907 5.802 30 40 IKEB Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2)c1 13286047 UQQFEPJXAYJMTO-QDJRPKQISA-N 429.570 6.174 30 40 IKEB Cc1ccc(CN2c3ccsc3C(=O)/C(=C/Nc3cccc(C)c3C)S2(=O)=O)cc1 20575694 YUSCFJWLMMCVHY-BKUYFWCQSA-N 438.574 5.160 30 40 IKEB COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 20762758 KAGMHEXKTRAIND-UVHMKAGCSA-N 449.765 6.358 30 40 IKEB CCCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2ccc(C(F)(F)F)cc21 26056500 FSSVUWCYRIDCIO-UHFFFAOYSA-N 432.471 5.262 30 40 IKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cccc(Cl)c4)NC3=O)o2)cc1 59137840 OYSPJKCKNDHFOE-PDGQHHTCSA-N 426.950 6.284 30 40 IKEB COC(=O)c1ccccc1/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 59503602 NDEKLORHPFVLGC-VULFUBBASA-N 449.915 6.311 30 40 IKEB C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 111507869 GZXXAXFZERUNIB-RGVLZGJSSA-N 441.339 5.666 30 40 IKEB COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)cc2)cc1 198151090 MBQDOXROMKUNHZ-RDRPBHBLSA-N 426.560 7.178 30 40 IKEB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@@]12C 263611965 XRLBQELEYBVDHJ-PNPBJKFZSA-N 444.612 5.265 30 40 IKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Sc2ccccc2)o1 408760432 YOZXBXANCHAXNP-BOPFTXTBSA-N 447.368 6.629 30 40 IKEB COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408767496 LKNIREUAUHSHDZ-ZMOGYAJESA-N 425.326 5.702 30 40 IKEB O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1 408810471 JXGPMGICXXPRSK-WKIKZPBSSA-N 432.829 6.127 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)ccc1O 408911053 YHXBVWDOWVHRGG-MGFZLMGHSA-N 444.556 6.156 30 40 IKEB Cc1ccc([N+](=O)[O-])cc1/C=N/c1oc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C#N 408977145 UPBSMYPPTHXMTE-RWPZCVJISA-N 441.874 7.106 30 40 IKEB COc1cccc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409186623 FRRHRXALKNQPFD-BRJLIKDPSA-N 439.851 5.075 30 40 IKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC(C)C 409212587 NGUKWDJFYREBCW-HUZSXYRPSA-N 438.637 6.955 30 40 IKEB O=C(COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(Cl)cc1 409217394 CIKKDHYDOYZUKB-WYMPLXKRSA-N 444.274 5.670 30 40 IKEB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1Cl 409217883 XYXFOTIRNKQYRQ-RPPGKUMJSA-N 447.749 6.723 30 40 IKEB CN1/C(=C2/S/C(=N\c3ccccc3Cl)N(c3ccccc3)C2=O)Sc2ccccc21 3013682 LAZXEKSLNXFXRL-JXAXBCJLSA-N 449.988 6.519 30 40 IKEB Cc1nc(/C(C#N)=N/Nc2cccc(C(F)(F)F)c2)sc1/N=N/c1ccc(F)cc1 4292808 LNEWGKONWVFIDI-MVUKJWRDSA-N 432.406 6.365 30 40 IKEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cc(Cl)ccc3O)cc2)cc1 8844389 WUFMTJSBUSOEBA-WUXMJOGZSA-N 427.909 5.051 30 40 IKEB CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 9358285 WYVIQTDQUKLAOC-HHHXNRCGSA-N 446.591 6.419 30 40 IKEB CCn1cc(C(=O)N2CCCS/C2=N\c2ccccc2C(C)C)c(=O)c2ccc(C)nc21 12538012 MRJVDFCBVPDBFM-RFBIWTDZSA-N 448.592 5.115 30 40 IKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)Nc1ccccc1S2 12570567 VHUDYSIBBJUJLG-OPEKNORGSA-N 434.779 7.691 30 40 IKEB CCN1C/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1 12648653 SLUYHMQHCNSIMF-BSHIDLADSA-N 441.185 6.672 30 40 IKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3C)c3cc(Cl)c(O)cc3O2)N1 12715371 DWZPVAPVXDLQKE-HOYKHHGWSA-N 443.012 6.012 30 40 IKEB NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1 16480931 DYDLQBXJWPTKMT-ZMOGYAJESA-N 440.366 5.152 30 40 IKEB N#Cc1c(-c2cccc(OCc3cccc(Cl)c3)c2)c(C#N)c2nc3ccccc3n2c1N 16545578 RIBPQOYTROZOIB-UHFFFAOYSA-N 449.901 5.712 30 40 IKEB C=CCc1cc(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)ccc1OC 19564875 RVZDTYKPRKWOTR-UHFFFAOYSA-N 441.478 5.226 30 40 IKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 36611446 RRIGFOISINUVTF-GZIVZEMBSA-N 447.294 5.689 30 40 IKEB COC(=O)c1cccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)c1 59500711 JAVZXDLWDNLJST-VULFUBBASA-N 449.915 6.311 30 40 IKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2OC)cc1 100282453 DHLNUGKFHYEIJP-UHFFFAOYSA-N 442.600 6.415 30 40 IKEB CCCCCCCCCCCCC/C=C/[C@H]1[C@H](C(=O)OC)N1[S@@](=O)c1ccc(C)cc1 104316214 AZKUUQNZEQUQCQ-HSJOOQPQSA-N 447.685 6.501 30 40 IKEB COc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 137968271 NVUHVDSEAZMFPD-DHRITJCHSA-N 425.868 5.385 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC 215117634 PAWIAQDWZJVRKY-YBFXNURJSA-N 433.888 5.289 30 40 IKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc21 223510819 UWUQGAZVPHEQAX-AHHHDHMGSA-N 445.632 6.639 30 40 IKEB COc1cccc(OCc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)c1 223692984 SNALUADAKDCFTF-UHFFFAOYSA-N 447.347 5.117 30 40 IKEB C=C(C)[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO[C@H]1c1c(CC)oc2ccccc12 257210865 BWLQSNJXWPZURB-GBXCKJPGSA-N 439.596 6.666 30 40 IKEB Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)c(C)n1-c1ccccc1 408790761 YJQKWRCDLGLLET-YCBMQGOFSA-N 431.517 5.026 30 40 IKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Cl)c1O 408913419 QSQYHTSAFSXQFH-GYOQDEGTSA-N 444.984 6.013 30 40 IKEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1cccc2ccccc12 408979318 MLOXXPAVENTSIT-UHFFFAOYSA-N 449.554 6.212 30 40 IKEB Clc1cc(/N=C/c2cccn2-c2cccc(Br)c2)ccc1Br 409015045 RNABTCPEXDGRON-SRZZPIQSSA-N 438.550 6.406 30 40 IKEB Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1C 409171867 CLQOLEDGRNGEKW-YDZHTSKRSA-N 441.556 5.819 30 40 IKEB O=S(=O)(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 409186661 GEEQLTVHCFCJMT-UCQKPKSFSA-N 442.949 5.550 30 40 IKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1C 409210437 KAERPWDZXSKBTI-DHRITJCHSA-N 428.757 7.049 30 40 IKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1C 409211167 IELOQZKMHOOUMK-RPPGKUMJSA-N 428.315 6.638 30 40 IKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OCC 409343433 GTYKBWHIZNSSEN-XSFVSMFZSA-N 427.547 5.065 30 40 IKEB CC(C)c1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 996804 BDVUPDOPKYNLCH-HOPLIYESSA-N 449.498 5.419 30 40 IKEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCCCC1 2126686 NRXSHTMQYCWAJB-OEAWUUHTSA-N 441.656 6.540 30 40 IKEB biogenic C=CC/N=C/C1=C(Sc2ccccc2)c2sc(NC(C)=O)c(C(=O)OCC)c2CC1 3139289 JXPDJVCCSVRKKS-ZVHZXABRSA-N 440.590 5.590 30 40 IKEB CC1(C)CC(=O)[C@@H]([C@@H](C/C(=N/Nc2ccccc2)c2ccccc2)c2ccccc2)CO1 5180180 BSMWLMCESYEKFA-SYXVUOQKSA-N 426.560 6.061 30 40 IKEB N#Cc1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCCCC2 8456815 VJJGTHMEMIXUTR-UHFFFAOYSA-N 437.392 6.383 30 40 IKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C 9482472 YBSFSPPJDDCCAC-VWLOTQADSA-N 434.584 5.452 30 40 IKEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 12691177 RSQMPSBZZQQTBA-UHFFFAOYSA-N 433.515 5.462 30 40 IKEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1c(C)cccc1C 14117852 PYSCYFRWFPGPBC-UHFFFAOYSA-N 436.581 5.008 30 40 IKEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 14408465 SFWJYQJPSVESLA-RDRPBHBLSA-N 447.450 6.156 30 40 IKEB C=CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1OC 15107216 NVRQOZVKJZEARG-INIZCTEOSA-N 435.501 5.161 30 40 IKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cc(Br)ccc2F)c2ccccc21 18180985 QVMHTKLJLLFRFP-QFIPXVFZSA-N 438.321 6.455 30 40 IKEB Cc1ccc(-c2csc3ncnc(N4CCN([C@@H](C#N)c5ccc(F)cc5)CC4)c23)cc1 23983739 XRKHPOPNBJWBCF-QFIPXVFZSA-N 443.551 5.193 30 40 IKEB CCOc1ccc(C(=O)C2=CN(c3ccc(C)cc3)c3cc(F)ccc3S2(=O)=O)cc1 32984440 WCLRGTHQYOIMOV-UHFFFAOYSA-N 437.492 5.183 30 40 IKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Br)cc3)cc1)N2 35167008 AARNPXITCXVHCB-SEUCCCPNSA-N 443.388 7.335 30 40 IKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 83293205 GBBMEMKXZGQDNI-PKAZHMFMSA-N 441.487 6.172 30 40 IKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 225780358 QRAZAWBYSWDQTR-HNNXBMFYSA-N 447.362 5.729 30 40 IKEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 408593439 POSLHOGXGYQGCW-UVHMKAGCSA-N 441.314 6.003 30 40 IKEB O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)Nc1ccc(F)cc1 408810196 PCPUYJPHZVFMEN-ROTLSHHCSA-N 445.263 5.495 30 40 IKEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O 408857271 NLYAPLIFVFBOQT-RKDBTKCASA-N 429.589 6.659 30 40 IKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(CCC)C1=O 408911526 JXYRZKYIWINXSK-AJGXWLHTSA-N 444.600 6.951 30 40 IKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)S/C1=N\c1ccc(C)cc1 408914648 VNWQMYQIAHLZCM-QMSJJHEMSA-N 447.516 6.096 30 40 IKEB COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1cccc(C)c1 408979518 MOJWHWQUHGLKRX-UHFFFAOYSA-N 435.527 6.074 30 40 IKEB C=CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3OC)c3ccccc23)C1=O 409137295 WRBAPKGJPULREX-KQWNVCNZSA-N 448.544 5.341 30 40 IKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1 409200155 HEIYPCUPYNLURN-RPPGKUMJSA-N 428.315 6.638 30 40 IKEB Cc1ccc(COc2cccc(/C=N/c3oc(-c4ccco4)c(-c4ccco4)c3C#N)c2)cc1 409388825 XLBBYHGQZSJEKI-OCSSWDANSA-N 448.478 7.309 30 40 IKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2F)cc1 409403019 KFZWFOCQCODMET-UHFFFAOYSA-N 449.485 5.664 30 40 IKEB CC[C@@H](C)Oc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cccc1OC 409405726 VATFIZQQWKPUHP-GOSISDBHSA-N 427.504 5.132 30 40 IKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O 1773516 MFNVVXBKEUCHKH-LGJNPRDNSA-N 443.846 6.666 30 40 IKEB CCCCCCCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 2410773 DUXDTNWKQSYRMV-UHFFFAOYSA-N 440.544 5.109 30 40 IKEB Cc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1C 3280994 YSCCAACKDHSKAU-CVKSISIWSA-N 430.349 6.669 30 40 IKEB CCOc1ccc(/N=C(/CNc2ccc(OCC)cc2)Nc2ccc(OCC)cc2)cc1 4235300 UKRIPEKAGQYKIX-UHFFFAOYSA-N 433.552 6.137 30 40 IKEB biogenic O=C1/C(=C\c2ccc(Br)o2)S/C(=N/c2ccccc2)N1c1ccccc1 8442870 RPATUCQHNBLEPW-UGFLLLHASA-N 425.307 5.851 30 40 IKEB C=CCn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21 9516958 VFVHUAXCMVTKCO-UHFFFAOYSA-N 448.617 5.330 30 40 IKEB C=CCn1c(SCC(=O)c2oc3ccccc3c2C)nnc1[C@@H]1COc2ccccc2O1 9578519 SWKGAJHBMAUKTG-NRFANRHFSA-N 447.516 5.006 30 40 IKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Br)cc1)Nc1ccc3ccccc3c12 9635964 WYQVEHPWYJMRAB-DEOSSOPVSA-N 432.361 6.912 30 40 IKEB Cc1cccc(C)c1-n1c(-c2ccc(Cl)cc2)cnc1SCc1ccc(C#N)cc1 12551672 VEUMHIBBQNFMIN-UHFFFAOYSA-N 429.976 6.974 30 40 IKEB Oc1ccccc1-c1nc(N/N=C/c2cc(Cl)cc(Cl)c2O)c2ccccc2n1 13548698 HPXVVJXUUSQALB-BHGWPJFGSA-N 425.275 5.461 30 40 IKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(CC)cc3)NC2=O)cc1Br 16161383 SAOLDZFRNIJFBY-UYRXBGFRSA-N 443.366 5.468 30 40 IKEB COc1ccc2nc(/C=C/c3ccccc3)cc(N/N=C/c3c(O)ccc4ccccc34)c2c1 16227745 ZSJJEMZWZZGXEN-PNVNKOADSA-N 445.522 6.719 30 40 IKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC 18244437 PAFKFZIOUCPJCQ-VWLOTQADSA-N 434.536 5.257 30 40 IKEB Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)cc1Cl 19841577 NDUWYESQGCICCE-UHFFFAOYSA-N 427.932 5.823 30 40 IKEB C=CCOc1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 58928840 CXXOJIOJWCEEMN-UWVAXJGDSA-N 426.310 5.539 30 40 IKEB CCCCCCCCC[N+]1(CCNC(=O)COc2ccc(Cl)cc2Cl)CCCC1 68576513 MHPAAFIMBXBATC-UHFFFAOYSA-O 444.467 5.850 30 40 IKEB FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H]1CO1 95681741 NSHDLZDDSBGOKN-GSVOUGTGSA-N 426.119 5.149 30 40 IKEB COc1ccc(N/N=C2/C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 100327133 ZIOBLCYCCFOOAP-SGWCAAJKSA-N 425.410 5.077 30 40 IKEB CCCCCCCc1c(O)n(-c2ccccc2)c(SCCN(CCC)CCC)nc1=O 102875214 YTNASGVVJRENEY-UHFFFAOYSA-N 445.673 5.665 30 40 IKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 408752052 BMTNQAACDLCACK-IWIPYMOSSA-N 429.589 6.165 30 40 IKEB O=C(NCc1ccccc1)c1c(/N=C\c2ccc(Cl)cc2Cl)sc2c1CCCC2 408782674 IPGKQQRKHVHYCJ-VYYCAZPPSA-N 443.399 6.614 30 40 IKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 408907861 PNMZIZISIOQKJX-AKZSFNAJSA-N 439.540 5.954 30 40 IKEB CCCCN1C(=O)/C(=C\c2ccc(OCC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408913345 QBMWFLDIDUUNKD-AJGXWLHTSA-N 444.600 6.951 30 40 IKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)S2)cc1 408953144 OLHOULCXIOAGDG-HZHRSRAPSA-N 448.519 5.695 30 40 IKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(Br)c(Cl)c2)c1 409093591 AZPNICIBKBGUCD-UBKPWBPPSA-N 434.471 5.229 30 40 IKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1cccc(F)c1 409110962 AKPZTCSTGZGJOJ-UHFFFAOYSA-N 425.931 6.716 30 40 IKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 409211545 NVIKJNNIDIEYGQ-BUVRLJJBSA-N 429.925 5.565 30 40 IKEB Cc1cccc(COc2ccc(/C=N\c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2)c1 409212625 RPQZLYZXEHDMAJ-AILRPVNASA-N 442.628 7.409 30 40 IKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccc(C)c(Cl)c2)cc1 409218147 STNIFXISSYDMTN-ZMOGYAJESA-N 434.344 6.129 30 40 IKEB c1ccc(OCC/N=C2/NCCCCCCOc3ccccc3Oc3ncccc32)cc1 643570893 WOQGIKFFWDCHBC-UHFFFAOYSA-N 431.536 5.242 30 40 IKEB