smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)=CCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 403692 FCCINCXMYNBVHB-UHFFFAOYSA-N 340.806 5.458 0 50 EKAA biogenic Cc1c(NC(=O)c2ccc(F)cc2)cccc1-c1nc2ccccc2o1 435221 NXFQEPMKEIVZTD-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA FC(F)(F)c1ccc(Oc2cccc(Oc3ccccc3)c2)nc1 471563 LGFDQEZUSFOZRQ-UHFFFAOYSA-N 331.293 5.685 0 50 EKAA CCCc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526056 CDIRFXUYSUKDFL-UHFFFAOYSA-N 325.795 5.206 0 50 EKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 2933012 ZRYHFJRGOCQDKS-CYBMUJFWSA-N 341.863 5.613 0 50 EKAA COc1cc2c(cc1NC(=O)Cc1ccc(C)cc1)oc1ccccc12 4978516 DUGQUFSMSKJFLC-UHFFFAOYSA-N 345.398 5.084 0 50 EKAA COc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C)o3)c2)cc1 277474 ZAKPIPJIXRZYFS-UHFFFAOYSA-N 341.410 5.993 0 50 EKAA CSc1ccc(NC(=O)Oc2cccc(Cl)c2Cl)cc1 399299 CBWFTOQGUYHKJR-UHFFFAOYSA-N 328.220 5.326 0 50 EKAA Cc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 446887 LDHOOIZNZMMDRX-QFIPXVFZSA-N 340.426 5.079 0 50 EKAA Oc1ccccc1C1=Nc2ccccc2S[C@H](c2ccccc2)C1 481224 IRHQXGDLYPUZSO-NRFANRHFSA-N 331.440 5.750 0 50 EKAA Cc1ccc2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2c1 617852 TWNNMNMBPUISHO-UHFFFAOYSA-N 333.309 5.321 0 50 EKAA Cc1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl 4542384 ROEWXNCKIIUNMX-UHFFFAOYSA-N 342.870 5.135 0 50 EKAA C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2C(F)(F)F)CO1 142957542 NHGFPOQFINKDJB-HNNXBMFYSA-N 328.717 5.397 0 50 EKAA CCCc1ccc(Oc2c(C)oc3c(C)c(OC)ccc3c2=O)cc1 189822 QEURPFWOQSMNAQ-UHFFFAOYSA-N 338.403 5.163 0 50 EKAA CC(=O)Nc1ccc(-c2ccc(OCc3ccccc3F)cc2)cc1 198183 ZABQRANIZAUQSV-UHFFFAOYSA-N 335.378 5.030 0 50 EKAA CCCCOc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 2023222 VJSYOVZRKMTCIQ-UHFFFAOYSA-N 346.426 5.752 0 50 EKAA CCCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 5093050 DMIBYIWCMPCKQC-UHFFFAOYSA-N 331.415 5.395 0 50 EKAA C[C@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1Cl 13329913 KYRDSDRKBMBXOV-VIFPVBQESA-N 327.186 5.015 0 50 EKAA Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1F 13329945 YQIOJLFZWWZDKX-JTQLQIEISA-N 341.213 5.324 0 50 EKAA Cc1ccc(C)c(NC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1 35561633 AEQHEJCWLYUNFT-HXUWFJFHSA-N 340.442 5.592 0 50 EKAA CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C\CC[C@H](C)O 254395307 OMRDSKNXJYXBEL-VFIJVXMKSA-N 332.572 6.673 0 50 EKAA O=C(Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 182166 MHXLSLNJOSVEGO-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2ccccc2s1 191057 SQBAERYIOMMDNH-SOFGYWHQSA-N 349.242 5.255 0 50 EKAA COc1ccc(-c2csc(Nc3ccccc3Cl)n2)cc1OC 613688 MSPJVZOCMVYHGC-UHFFFAOYSA-N 346.839 5.224 0 50 EKAA CCCC[C@H](CC)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 25756960 CEEDFYRUPAWDOU-STQMWFEESA-N 347.282 5.520 0 50 EKAA in-vitro CCCCCn1cc(C(=O)Cc2ccc(Cl)cc2)c2ccccc21 28461030 GPMUZXUMSOFDBA-UHFFFAOYSA-N 339.866 5.910 0 50 EKAA in-vivo CC[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 311966 UHCWTWCCTSCLBT-CYBMUJFWSA-N 341.760 5.491 0 50 EKAA C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccccc1 371483 FKTPVAPZTFTQLP-JTQLQIEISA-N 333.815 5.185 0 50 EKAA Cc1cc(C)c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 440509 IUFNQQDVPVABHC-UHFFFAOYSA-N 338.476 5.463 0 50 EKAA Cc1ccc(F)cc1NC(=S)Nc1ccc(Cl)c(Cl)c1 6301585 NSUOWLGOODRBLE-UHFFFAOYSA-N 329.227 5.250 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCC(=O)O 64858159 ZHBVYDMSPDDAKE-DMPDVXFYSA-N 344.495 5.520 0 50 EKAA in-vitro COc1cccc(CC[C@@H](C(=O)c2ccc(O)cc2)c2ccccc2)c1 71770172 AEDYYZXXYWLYCO-JOCHJYFZSA-N 346.426 5.000 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 282045 QBWIHCSGQCZPOQ-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21 2577049 LJSBBBWQTLXQEN-UHFFFAOYSA-N 327.427 5.744 0 50 EKAA biogenic,investigational Cc1cccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1 2735592 VJIDWZIIAYUNDC-UHFFFAOYSA-N 342.798 5.059 0 50 EKAA CC[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 2873634 NRBLQVKPOVADGT-LJQANCHMSA-N 347.483 5.970 0 50 EKAA c1ccc2c(c1)oc1c(-c3cccc4c3oc3ccccc34)cccc12 4557337 OLRNOAOQGXMHHZ-UHFFFAOYSA-N 334.374 7.152 0 50 EKAA C[C@@H]1C[C@@H]2CCc3ccc4ccccc4c3[C@@H]2c2c1ccc1ccccc21 71785195 QGYAOHODJSDTPT-FQHLQPMKSA-N 348.489 7.195 0 50 EKAA COc1ccc(-n2nc3cc4ccccc4cc3c2NC(C)C)cc1 252492418 MLOONGBHIRQQKM-UHFFFAOYSA-N 331.419 5.008 0 50 EKAA Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Cl)c2C)c1 47637 UGYLDUALBGAKJQ-UHFFFAOYSA-N 331.843 5.098 0 50 EKAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(CC)cc1 71945 WCTLGRVVSNLKEN-UHFFFAOYSA-N 348.446 5.334 0 50 EKAA O=C(COc1ccc(Cl)cc1Cl)Oc1cccc2ccccc12 225939 DRHQVTVPQWNBDN-UHFFFAOYSA-N 347.197 5.131 0 50 EKAA Cc1sc(NC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 474982 AGBNZKJBSDYSFG-UHFFFAOYSA-N 343.839 5.416 0 50 EKAA Cc1cc2c(o1)-c1c(oc3ccc(Br)cc13)CC[C@H]2C 518154 QPFSYOXDSJTVND-SECBINFHSA-N 331.209 5.813 0 50 EKAA biogenic COc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)c(OC)c1 611425 HPNVMCBYSAKCGO-UHFFFAOYSA-N 348.402 5.015 0 50 EKAA O=C(Nc1nc2ccccc2s1)c1ccccc1-c1ccccc1 618399 YXQDRDTYPDSFQW-UHFFFAOYSA-N 330.412 5.216 0 50 EKAA Cc1ccc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1C 1853229 BAILKEIRZMRLMJ-UHFFFAOYSA-N 338.491 6.118 0 50 EKAA C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 13745093 MHBCFTQDFTXAGT-QMMMGPOBSA-N 348.777 5.303 0 50 EKAA CSc1ccc2nc(NCc3cccc(Cl)c3)cc(C)c2c1 23550071 HQHDSCFKJAYWET-UHFFFAOYSA-N 328.868 5.531 0 50 EKAA CC(C)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 25577477 UEYKVUJCRXXRHA-FYYLOGMGSA-N 342.442 5.365 0 50 EKAA C[P@](=O)(Nc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1 203257 IMKCAKDLUAVPLJ-JOCHJYFZSA-N 349.676 5.673 0 50 EKAA Clc1ccccc1-c1nnc(-c2cccc(Cl)c2Cl)o1 212041 HMRRPCWHLUOFGE-UHFFFAOYSA-N 325.582 5.364 0 50 EKAA Nc1c(Cl)c(Cl)c2c(c1Cl)C(=O)c1cc(Cl)ccc1-2 398861 KMFAPOMZGKVNMY-UHFFFAOYSA-N 333.001 5.094 0 50 EKAA CC[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 441483 WYKAGIPGATWVJK-NSHDSACASA-N 342.653 5.779 0 50 EKAA Clc1ccc(-c2nnc(-c3sc4ccccc4c3Cl)o2)cc1 2779764 JUKHYRSDBIHRBK-UHFFFAOYSA-N 347.226 5.925 0 50 EKAA O=C(CC[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 3136401 HKGOVXWRWWAJDE-NRFANRHFSA-N 328.411 5.316 0 50 EKAA Clc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 4362897 JTMBWVKMAGHXKI-UHFFFAOYSA-N 344.845 5.377 0 50 EKAA in-vitro C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 4475360 FOIVPCKZDPCJJY-JQIJEIRASA-N 348.486 6.294 0 50 EKAA aggregator,in-vivo O=C(NCCC12CC3CC(CC(C3)C1)C2)c1csc2ccccc12 4651331 AVKLKYKEXBGJEU-UHFFFAOYSA-N 339.504 5.238 0 50 EKAA Oc1ccc(Cl)cc1C1=Nc2ccccc2N=C(c2ccco2)C1 13111074 UAGSMTAAGNIFCT-UHFFFAOYSA-N 336.778 5.284 0 50 EKAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccoc2C(C)C)c1 253427845 BAJXWYCNRGSIEX-UHFFFAOYSA-N 348.830 5.047 0 50 EKAA CC(=O)c1cc(Cl)ccc1Oc1ccc(Br)cc1 328579097 PRVLNXDENKDNKS-UHFFFAOYSA-N 325.589 5.097 0 50 EKAA in-vitro c1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1 91316 BKZJUVBANDEPHI-UHFFFAOYSA-N 335.410 5.892 0 50 EKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1Cl 433120 CAMAXGVHTVTEDB-UHFFFAOYSA-N 347.201 5.209 0 50 EKAA Cc1ccc(C)c(C(c2cc(C)ccc2C)C(Cl)(Cl)Cl)c1 2074791 CRYBPMVWQOHSGV-UHFFFAOYSA-N 341.709 6.422 0 50 EKAA CC(C)=CCC/C(C)=C/COc1ccc2c3c(c(=O)oc2c1)CCC3 2139036 MDJUPIYFRXKYMP-FOWTUZBSSA-N 338.447 5.353 0 50 EKAA biogenic CC(C)=CCC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12 2529828 SOVNCTNQAWWYAQ-OQLLNIDSSA-N 338.403 5.611 0 50 EKAA endogenous,in-man O=C(Cc1cccc2ccccc12)N[C@@H](c1ccccc1)C1CCCC1 2849119 MMQSIRAWAYWGKH-DEOSSOPVSA-N 343.470 5.430 0 50 EKAA Fc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2325720356 ZPNCFXVJYKQNME-UHFFFAOYSA-N 339.222 6.000 0 50 EKAA Cc1ccccc1-c1nc2cc(NC(=O)c3cccs3)ccc2o1 108566 KCBGAFRZJXTHQR-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA Cc1ccc(O)c(Nc2nc(-c3ccccc3)nc3ccccc23)c1 132604 DMNCNSHXXUBKDY-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA CC(C)=CCCC1=CCC2(COC(c3cccnc3)OC2)[C@@H](C)C1 3878454 LKOPHRVEIMMEIW-RPCJCACASA-N 327.468 5.216 0 50 EKAA biogenic COc1ccc(/C=C(/c2ccccc2)c2nc3ccccc3[nH]2)cc1 5061778 PHMUZIYQVIUMPQ-CYVLTUHYSA-N 326.399 5.160 0 50 EKAA COc1ccccc1NC(=O)Oc1c(C(C)C)cccc1C(C)C 399593 QUVHYOFNTYSORN-UHFFFAOYSA-N 327.424 5.553 0 50 EKAA O=C(c1ccc(Cl)c(Cl)c1)c1c[nH]cc1-c1cccc(F)c1 3105284 DPYRQIZDLVYYMF-UHFFFAOYSA-N 334.177 5.359 0 50 EKAA C[Si](C)(C)C[C@H](c1ccccc1Cl)n1nnc2ccccc21 195814946 RTECOHQNYSUTFW-QGZVFWFLSA-N 329.907 5.012 0 50 EKAA CC1(C)CCC[C@H]1CNC(=O)c1ccc(OCC2CCCCC2)cc1 1875268252 AMDUMQDXNKBQPS-IBGZPJMESA-N 343.511 5.202 0 50 EKAA O=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)c2ccccc12 398356 KFUCOLBVTAVWIC-UHFFFAOYSA-N 332.186 5.758 0 50 EKAA C(=C/c1ccc(-c2ccccc2)cc1)\c1ccc(-c2ccccc2)cc1 1615336 HXWQJYVUJPBQEW-VAWYXSNFSA-N 332.446 7.191 0 50 EKAA CN(CCCCOc1ccccc1-c1ccccc1)Cc1ccccc1 2824126 HRPJHYXEBNQPQU-UHFFFAOYSA-N 345.486 5.645 0 50 EKAA COc1cc(C)ccc1OCCCOc1cc(C)ccc1C(C)C 2983998 PDUQOTXRMGPYQU-UHFFFAOYSA-N 328.452 5.283 0 50 EKAA COc1cc(C)ccc1OCCCCOc1ccccc1OC(C)C 2985893 BCHXJAMVPPAZLN-UHFFFAOYSA-N 344.451 5.029 0 50 EKAA c1ccc(C2(c3ccccc3)c3ccccc3Oc3ccccc32)cc1 4798624 GPYAGEJQCXTMET-UHFFFAOYSA-N 334.418 6.175 0 50 EKAA Cc1ccc(-c2nc(NC(=O)c3cc4ccccc4o3)sc2C)cc1 9319015 UYXVHNQUGFIOOH-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA Oc1ccc(Cl)cc1-c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 107601938 ZLQZKHARRKYQJU-UHFFFAOYSA-N 338.716 5.122 0 50 EKAA C[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 449711 ZWMUFKMUFRJDIE-VIFPVBQESA-N 344.625 5.053 0 50 EKAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2)c2ccccc2)cc1C 460792 CLRSBZPJFGMNJA-JOCHJYFZSA-N 344.410 5.084 0 50 EKAA CC[C@@H](C)c1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1 465576 FXFLYGUSKZCHKS-OAHLLOKOSA-N 338.451 5.047 0 50 EKAA Clc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 4010716 XYCOPXQUSIVJLY-OAHLLOKOSA-N 328.824 5.350 0 50 EKAA aggregator CCCc1ccc(-c2ccc(-c3ccc(F)c(F)c3)c(F)c2)cc1 95931435 MNDRQVSIWFDBFZ-UHFFFAOYSA-N 326.361 6.390 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\CCC(=O)O 102185982 OHYKIJBTVXMLKX-PCFNBTQGSA-N 344.495 5.760 0 50 EKAA in-vitro C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C[C@]12CS2 253499798 NQUOVPHNWQLADQ-UZEDEMIUSA-N 334.569 5.122 0 50 EKAA biogenic CC(C)(C)Sc1ccc(-c2nc(-c3ccncc3F)cs2)nc1 1875316944 KAZQGJURHSPLRZ-UHFFFAOYSA-N 345.468 5.297 0 50 EKAA Cn1cc2c3c(cccc31)NC=C[C@@H]2c1ccc(Br)s1 2084329475 NAYRBKLXIKSHIL-JTQLQIEISA-N 345.265 5.073 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)c1ccccc1Br 140352 NDCKEWGRNWKYTN-UHFFFAOYSA-N 332.241 5.133 0 50 EKAA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1Br 252988 CBQREZYMYOLNMF-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA CCc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 612410 FAQHXCOSKTTWAB-UHFFFAOYSA-N 345.748 5.086 0 50 EKAA Cc1nn2c(C(F)(F)F)cc(C(C)(C)C)nc2c1-c1ccccc1 1178842 YKHCUZLZCZRNNT-UHFFFAOYSA-N 333.357 5.021 0 50 EKAA CCc1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 1276021 ZCRQJLNQRPFHPO-HEHNFIMWSA-N 327.427 5.428 0 50 EKAA COc1ccc(-c2nc(-c3cc(C)ccc3C)cs2)cc1OC 2550225 YZFOGDYNBLEOTO-UHFFFAOYSA-N 325.433 5.111 0 50 EKAA Cc1oc2c(cc(O)c3ccccc32)c1C(=O)c1ccc(Cl)cc1 5073501 CMDKYNKLFQCYAR-UHFFFAOYSA-N 336.774 5.484 0 50 EKAA CCO[C@]12c3ccccc3O[C@H](c3ccccc3)[C@@]1(C)C2(Cl)Cl 16134232 LTTXHCFFVPHQAN-KZNAEPCWSA-N 349.257 5.246 0 50 EKAA COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 36621140 FPRWIPCTIKFUPW-QGZVFWFLSA-N 344.842 5.026 0 50 EKAA O=C(Nc1ccccc1)N1CCCCC[C@H]1c1ccc(Cl)cc1 64984522 XIPVAWDLIPOVAD-SFHVURJKSA-N 328.843 5.489 0 50 EKAA CC(C)NC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C 253501731 HRROJQJBNRGRQT-OYIIHGHGSA-N 347.587 5.148 0 50 EKAA Cn1c(SC(c2ccccc2)c2ccccc2)nc2ccccc21 446459 NQBTWWNWDGFRSE-UHFFFAOYSA-N 330.456 5.455 0 50 EKAA O=C(Nc1cccc(F)c1)Nc1cc(C(F)(F)F)ccc1Cl 1753335 IKXRLMKNLUTWLV-UHFFFAOYSA-N 332.684 5.142 0 50 EKAA CCc1cccc(CC)c1NC(=O)CCCOc1ccc(Cl)cc1 1777371 UJATUBNCBSBSJO-UHFFFAOYSA-N 345.870 5.263 0 50 EKAA C[C@@H](Nc1nc(-c2ccccc2O)nc2ccccc12)c1ccccc1 13130350 BHYGZDWYCCTSHC-OAHLLOKOSA-N 341.414 5.176 0 50 EKAA COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1 155246 IAKOZHOLGAGEJT-UHFFFAOYSA-N 345.653 5.206 0 50 EKAA aggregator,biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)Oc1cc(C)c(Cl)c(C)c1 398265 GMHYBBMAHFXVSP-UHFFFAOYSA-N 340.206 5.230 0 50 EKAA COc1ccc(-c2nc(Nc3ccccc3Cl)sc2C)c(F)c1 407416 RBMQZBIOXFJJIP-UHFFFAOYSA-N 348.830 5.663 0 50 EKAA CCC(=O)N(CC[C@@H](c1ccccc1)c1ccco1)Cc1ccccc1 507297 JLWZUIZSSHGXLR-NRFANRHFSA-N 347.458 5.240 0 50 EKAA Cc1cccc(SC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 2173650 WJIRLFVUKDWNHF-UHFFFAOYSA-N 345.773 5.991 0 50 EKAA ClC1=C(Cl)[C@]2(Cl)[C@@H]3CC=C[C@H]3[C@@]1(Cl)C2(Cl)Cl 2565859 XCJXQCUJXDUNDN-UVYAHXQWSA-N 338.876 5.024 0 50 EKAA c1ccc(Oc2cccc(OCCCn3cnc4ccccc43)c2)cc1 2868279 KHRHADWACBRIIW-UHFFFAOYSA-N 344.414 5.298 0 50 EKAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 36619740 YXWIVQFTBUVBPG-GOSISDBHSA-N 344.842 5.108 0 50 EKAA Brc1ccc(Nc2nc(-c3cccs3)cs2)cc1 295966 PBRHCCCKLDVICK-UHFFFAOYSA-N 337.267 5.378 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 614222 PERGHBLZMQIOKL-UHFFFAOYSA-N 327.383 5.661 0 50 EKAA O=C(CSc1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1 1110077 JMDXFDKAHBTZDB-UHFFFAOYSA-N 348.254 5.517 0 50 EKAA CCCCOc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)cc1 2738053 DAPLFWUGBZFJPS-UHFFFAOYSA-N 335.403 5.087 0 50 EKAA CCCCOc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 4422898 JXYMDZYKYLNBFK-UHFFFAOYSA-N 328.799 5.236 0 50 EKAA Cc1cc(Nc2ccc(C)c(C)c2)n2ncc(-c3ccccc3)c2n1 5485722 HQJLOJARRXJMFG-UHFFFAOYSA-N 328.419 5.065 0 50 EKAA CCC1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 13320528 NXECWIIBLNKJOO-UHFFFAOYSA-N 348.796 5.449 0 50 EKAA CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 35476473 TVKCVMSSBZSVLD-GOSISDBHSA-N 328.843 5.271 0 50 EKAA Cc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1 91296937 RODQKGBYDIAMCF-UHFFFAOYSA-N 336.232 5.855 0 50 EKAA in-vitro CCO[C@@H](C)c1nc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)cs1 170633638 BFVQJOPRDLKUOZ-QFBILLFUSA-N 344.524 5.195 0 50 EKAA Cc1ccc(-n2c(NCc3ccccc3)nc3cc(C)ccc32)cc1 952880655 HTNFTSGCYULWAL-UHFFFAOYSA-N 327.431 5.254 0 50 EKAA CC(C)CN(Cc1ccsc1)C(=O)c1cc2c(Cl)cccc2[nH]1 952985458 BPCYSMLKDZTKJG-UHFFFAOYSA-N 346.883 5.181 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)Nc3ccc(N(C)C)cc3)sc2c1 46857 VOULBBUUSMRAML-UHFFFAOYSA-N 344.867 5.181 0 50 EKAA Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Br 371333 FOLMHSZPJILZNT-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA Cc1cc2ncn(C(=O)c3ccc(-c4ccccc4)cc3)c2cc1C 1217879 VPGJQNGILOWGAU-UHFFFAOYSA-N 326.399 5.009 0 50 EKAA Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 1543799 KGRVJHAUYBGFFP-UHFFFAOYSA-N 340.507 5.900 0 50 EKAA biogenic,in-vitro CCCCCCOC(=O)c1cc(-c2ccccc2)nc2c(C)cccc12 2568472 MDAYHBDVFPWQPN-UHFFFAOYSA-N 347.458 5.947 0 50 EKAA O=C(CCNc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 2876572 PETOTMZRJLGHTO-UHFFFAOYSA-N 335.834 5.692 0 50 EKAA CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2877126 QXJVXTBNLBJRHA-UHFFFAOYSA-N 345.773 5.333 0 50 EKAA CCOc1ccc(NC(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1 400452 FETSCOZRJQHKRL-UHFFFAOYSA-N 347.842 5.781 0 50 EKAA COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1c1ccccc1 4321098 VFHSFLAMNAAVOM-NRFANRHFSA-N 346.405 5.190 0 50 EKAA C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl 13330089 NSSLMMQQHYQHCA-QMMMGPOBSA-N 345.176 5.154 0 50 EKAA COc1cccc2c(C)cc(NCc3cccc4ccccc34)nc12 16667943 CGFVYXQLBSLRCO-UHFFFAOYSA-N 328.415 5.317 0 50 EKAA CCCCn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 64859630 LCZKNUDVFMMPPZ-UHFFFAOYSA-N 327.427 5.826 0 50 EKAA in-vitro Cc1ccc(-c2nnc([C@@H](C)Nc3cccc(C(F)F)c3)o2)cc1C 123557900 GVXQRWUABSZEQT-CYBMUJFWSA-N 343.377 5.464 0 50 EKAA O=C(Nc1ccccc1Cl)c1cc(-c2ccco2)nc2ccccc12 113562 CDLDBWOLBUDSEK-UHFFFAOYSA-N 348.789 5.401 0 50 EKAA CC(C)CC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 317827 JYGNLHFWAWTEHL-UHFFFAOYSA-N 328.799 5.133 0 50 EKAA CCCCc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 2652519 XBVYMOWDAPBJHD-UHFFFAOYSA-N 333.431 5.443 0 50 EKAA CCCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3Cl)=NN12 12490690 ODJXKWGUUXISDW-UYAOXDASSA-N 340.854 5.400 0 50 EKAA COc1ccc(C)cc1NC(=S)Nc1ccccc1C(C)(C)C 13794003 YSSRKHFYGFEGJO-UHFFFAOYSA-N 328.481 5.110 0 50 EKAA Cc1oc2cc3oc(=O)c4c(c3cc2c1-c1ccccc1)CCCC4 95190 UDOKCFBPGJSCEN-UHFFFAOYSA-N 330.383 5.393 0 50 EKAA biogenic O=C(CSc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 372358 FUJXHSVUGRDENC-UHFFFAOYSA-N 346.666 5.378 0 50 EKAA O=C(CCCOc1ccc(Cl)cc1)Nc1cccc2ccccc12 1773669 OHVMZLHDEDAENE-UHFFFAOYSA-N 339.822 5.291 0 50 EKAA Cc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c1 4542121 XFVDCKRWFHQVQD-ZRDIBKRKSA-N 337.806 5.560 0 50 EKAA Cc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 5756382 YRVQDSOXFILBJR-GMAHTHKFSA-N 340.426 5.237 0 50 EKAA CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 13476531 JDNLPKCAXICMBW-UHFFFAOYSA-N 341.454 6.216 0 50 EKAA biogenic,in-vitro Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 20070118 RSBTZIRWFSTYRT-UNMCSNQZSA-N 344.389 5.068 0 50 EKAA Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)oc2c1 182230 KZRFOGUAFUONGV-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA Cc1ccc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc1 272907 PSISGWQOGXSBTD-UHFFFAOYSA-N 334.803 5.130 0 50 EKAA O=C(CC(c1ccccc1)c1ccccc1)NCCC1=CCCCC1 1006299 FFAYAKHDPMGQNN-UHFFFAOYSA-N 333.475 5.215 0 50 EKAA CCCCN(C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 2171788 LJHKNBRLLXAERW-UHFFFAOYSA-N 337.250 5.832 0 50 EKAA COc1cc2c(cc1NC(=O)CC1CCCCC1)oc1ccccc12 6667711 WJYHFKHVUAXDOS-UHFFFAOYSA-N 337.419 5.504 0 50 EKAA C[C@H](Nc1nc(-c2ccccc2O)nc2ccccc12)c1ccccc1 13130352 BHYGZDWYCCTSHC-HNNXBMFYSA-N 341.414 5.176 0 50 EKAA CC[C@@H](C)CCCCCCCCCCCCCCCCC(=O)O 14591163 WSRCOZWDQPJAQT-HXUWFJFHSA-N 326.565 7.359 0 50 EKAA biogenic,in-vitro c1ccc([C@@H]([C@H](c2ccccc2)N2CCCCC2)N2CCCCC2)cc1 40148547 MTYFDEYZRYWPAI-ZEQRLZLVSA-N 348.534 5.441 0 50 EKAA C[C@H]1CCC[C@@H](C)N1CC/C=C(\c1ccccc1)c1cccs1 96027821 YZDBBELREPRMOV-VTLNYKCHSA-N 325.521 5.833 0 50 EKAA C[C@@H]1CC=C([Si](C)(c2ccccc2)c2cccc3ccccc23)CC1 169828514 VJJDGFIQGBRHOC-OEPVSBQMSA-N 342.558 5.318 0 50 EKAA Cc1ccc(C)c(-c2nc(CN(C)C(=O)OC(C)(C)C)sc2C)c1 170637359 WOFJWQFUPPFRLQ-UHFFFAOYSA-N 346.496 5.102 0 50 EKAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@@H]32)c1 253387573 BJQOSONJQCUKEY-ILSIVFKBSA-N 337.463 5.157 0 50 EKAA C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 91321 SSSGJHLVROVTDO-GXFFZTMASA-N 338.234 5.281 0 50 EKAA Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccco4)c3)oc2cc1C 1212069 IGLQRDJPTYOZNC-UHFFFAOYSA-N 346.386 5.265 0 50 EKAA CC(C)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 1773576 YHWOSUXWDDNQIT-UHFFFAOYSA-N 331.843 5.261 0 50 EKAA CCc1cccc(CC)c1NC(=O)c1ccccc1Oc1ccccc1 2734551 HFBHICJDOSAVKJ-UHFFFAOYSA-N 345.442 5.856 0 50 EKAA CCCCCC[C@@H](C)Nc1ccc(N[C@H](C)CCCCCC)cc1 3873453 APTGHASZJUAUCP-WOJBJXKFSA-N 332.576 7.228 0 50 EKAA Clc1ccccc1CNc1ccc(-c2nc3ncccc3o2)cc1 4843179 LQWZDWPRVTWPOB-UHFFFAOYSA-N 335.794 5.155 0 50 EKAA O[C@@H](C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 169520473 IKORDPJNLNHIKI-RTWAWAEBSA-N 337.850 5.617 0 50 EKAA CC(C)N(C(=O)c1ccc(-c2nc3ccccc3s2)cc1)C(C)C 49561 YUJBCUGUUSADLV-UHFFFAOYSA-N 338.476 5.222 0 50 EKAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1 2870370 SLRBXXHOUPYDJX-UHFFFAOYSA-N 339.279 5.243 0 50 EKAA Cc1cc(C)c(OCCCCCOc2c(C)cc(C)cc2C)c(C)c1 2880463 XKJQZKHCHDSEGH-UHFFFAOYSA-N 340.507 6.165 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2F)[C@@H]3CCC1 2928787 LTTNRAPNVCUSNZ-JOCHJYFZSA-N 348.465 5.372 0 50 EKAA Fc1cccc(Cl)c1CSc1nc2cc(Cl)ccc2[nH]1 4406906 WIUNNAASGSIOIA-UHFFFAOYSA-N 327.211 5.301 0 50 EKAA Cc1onc(-c2ccccc2Cl)c1C(=O)N(CC(C)C)CC(C)C 997428 BYBJSEDSXKOHAM-UHFFFAOYSA-N 348.874 5.058 0 50 EKAA O=C(c1ccccc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1 1399990 NJFOBLXUYRGYLS-UHFFFAOYSA-N 349.242 5.425 0 50 EKAA aggregator CCCCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1 1779318 OMXBERNCHAZIMF-JLHYYAGUSA-N 329.827 5.171 0 50 EKAA C[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 2749319 BKWURTBLCJUGEI-YMNYDYPGSA-N 327.427 5.105 0 50 EKAA Clc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1 3897235 RGWFPASKXSLRQK-UHFFFAOYSA-N 332.790 5.724 0 50 EKAA FC(F)(F)c1cccc2c(N3CCCC3)cc(-c3ccccc3)nc12 4872452 FWHFCFPVTSBGIO-UHFFFAOYSA-N 342.364 5.521 0 50 EKAA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1CCC1=CCCCC1 67947989 ILVQDRZFBAXHRD-UHFFFAOYSA-N 332.451 5.139 0 50 EKAA FC1(F)[C@H]2C[C@H](CNc3ccc(Oc4ccc(Cl)cc4)cc3)C[C@H]21 2325863736 VHTQJCQNRRCJID-KDUIPTSRSA-N 349.808 5.836 0 50 EKAA Fc1ccccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 619349 JJKRRQCUVLQBNL-UHFFFAOYSA-N 338.407 5.427 0 50 EKAA CN(C)Cc1c(-c2ccccc2)c(-c2ccccc2)c2ccccn12 1720405 SKEZGBBSUJOICM-UHFFFAOYSA-N 326.443 5.335 0 50 EKAA C[C@@H](NC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl 13329907 KGMCGQANAFMNCV-SECBINFHSA-N 327.186 5.015 0 50 EKAA CC[C@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccccc2)n(C)c2ccccc12 334163480 ULFJZQFBFIWLSX-OXJNMPFZSA-N 346.474 5.307 0 50 EKAA Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)c1C 15866981 CSQJVGXBOZXHFW-QGZVFWFLSA-N 328.481 5.514 0 50 EKAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(Cl)cc2Cl)C1 100984824 BPOSXTCPCGWVTP-YVEFUNNKSA-N 326.267 5.034 0 50 EKAA O=C(CSc1ccc(Cl)cc1)Nc1cccc2ccccc12 443550 UHFWETWWMKQDQC-UHFFFAOYSA-N 327.836 5.224 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)[C@H](C)SCc1ccccc1 610455 YDPZWUVKCHNHST-INIZCTEOSA-N 327.493 5.379 0 50 EKAA Cc1ccc(CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 1778563 GNPPRLVNYMECPH-CYBMUJFWSA-N 340.517 5.417 0 50 EKAA c1ccc(CSc2ncnc3scc(-c4ccccc4)c23)cc1 1801652 JBGBKQZMARTYMJ-UHFFFAOYSA-N 334.469 5.651 0 50 EKAA COc1cc(/C=C/c2ccc3ccccc3n2)cc(Cl)c1OC 5065507 MEXHWYSYWOGYTQ-VQHVLOKHSA-N 325.795 5.076 0 50 EKAA CC(C)c1cc(NCc2ccccc2)n2ncc(-c3ccccc3)c2n1 23114902 QZLVKBACEAGELW-UHFFFAOYSA-N 342.446 5.132 0 50 EKAA Cc1ccc(-c2csc3ncnc(NCCc4ccccc4)c23)cc1 91407 VULDVDNPUDDOQI-UHFFFAOYSA-N 345.471 5.321 0 50 EKAA CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 359113 IDKGJPOHACETHC-UHFFFAOYSA-N 338.234 5.134 0 50 EKAA Cc1ccccc1NC(=S)N[C@@H](Cc1ccccc1)c1ccccc1 410147 VXMNLNPMEWKCMJ-NRFANRHFSA-N 346.499 5.265 0 50 EKAA O=C(CCSc1ccccc1)Nc1cccc(Cl)c1Cl 563650 KZFJIQNMJDZAPI-UHFFFAOYSA-N 326.248 5.114 0 50 EKAA Cc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 1214792 DWGGTKNHBCGNDN-OOMBGRCJSA-N 339.438 5.231 0 50 EKAA O=C1C[C@@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21 1403139 WUFBSXLAIXSHEX-SFHVURJKSA-N 334.802 5.851 0 50 EKAA CCOc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 1405390 BEZNQSMOMZNFPE-UHFFFAOYSA-N 341.794 5.251 0 50 EKAA COc1cccc(OCCCCOc2ccc(Cl)c(C)c2C)c1 2991130 CQRZNBOWGKCUQC-UHFFFAOYSA-N 334.843 5.203 0 50 EKAA Cc1ccc(C(C(Cl)=C(Cl)Cl)c2ccc(C)cc2)cc1 3075500 WZIDKWUAHLUQNU-UHFFFAOYSA-N 325.666 6.321 0 50 EKAA C[C@@]12CC3CC(NC(=O)SCc4ccccc4)(C1)C[C@](C)(C3)C2 16513632 HUMBDKZHMBXJRY-JUNHRQJPSA-N 329.509 5.378 0 50 EKAA c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3ccccc23)cc1 22007983 AOQKGYRILLEVJV-UHFFFAOYSA-N 347.421 5.755 0 50 EKAA Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 310734 DJWQSQBJVAOVFB-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA O=C(CSc1ccccc1C(=O)O)c1ccc(-c2ccccc2)cc1 440803 RGYCMOBRSPQQMK-UHFFFAOYSA-N 348.423 5.027 0 50 EKAA CC(C)Oc1ccc(CNCC[C@@H](c2ccccc2)c2ccco2)cc1 1823405 CYRLRIREPUSROD-QFIPXVFZSA-N 349.474 5.379 0 50 EKAA COc1ccc(OCCCOc2c(Cl)cc(C)cc2Cl)cc1 2983861 KWUWLVWAUJZQNT-UHFFFAOYSA-N 341.234 5.158 0 50 EKAA CCCCC[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320425 JIHQXBVVTYOYID-SNVBAGLBSA-N 336.785 5.449 0 50 EKAA COc1ccc(OCCOc2ccc(C(C)(C)C)cc2Cl)cc1 2994673 DQTZBPLELKWGAE-UHFFFAOYSA-N 334.843 5.104 0 50 EKAA Cc1oc(-c2ccsc2)nc1CN(Cc1ccccc1)CC1CC1 12003870 MBPWGNIPHFULMH-UHFFFAOYSA-N 338.476 5.124 0 50 EKAA CC1=CCN(C2=Nc3cc(Cl)ccc3Sc3ccccc32)CC1 888096143 MCPJSHIBRABNAJ-UHFFFAOYSA-N 340.879 5.535 0 50 EKAA Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)c3ccccc3n2)o1 204834 OBTJCQCUJCJKHD-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA CCCCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 2870016 GUYMMEHMXVIFPR-UHFFFAOYSA-N 337.341 5.137 0 50 EKAA Cc1cc(C)c(NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 2954754 AYCQDLZXNAZXQZ-UHFFFAOYSA-N 329.443 5.382 0 50 EKAA CCOc1ccccc1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 4542087 XLEPPNZHRFIVDF-OUKQBFOZSA-N 349.455 5.466 0 50 EKAA O=Cc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 110374321 YFVDPJLDFUNNNV-UHFFFAOYSA-N 346.007 5.361 0 50 EKAA Cc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 101460 VSHWAUAUFGBEDK-UHFFFAOYSA-N 349.817 5.132 0 50 EKAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccs1 174593 ZHAAIURCQLUGPE-UHFFFAOYSA-N 336.441 5.277 0 50 EKAA Cc1cc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(C(C)C)cc1Cl 1005010 KXOYGANEMSOCJA-IAGOWNOFSA-N 328.839 5.481 0 50 EKAA Cc1cccc(-c2nc(=S)c3c(n2Cc2ccccc2)CCCC3)c1 2877921 PBEKTSWFVCBVQY-UHFFFAOYSA-N 346.499 5.515 0 50 EKAA CC(C)c1cccc(C(C)C)c1OCCCCCCN1CCCC1 2901946 VVOFIECUVDAILE-UHFFFAOYSA-N 331.544 5.968 0 50 EKAA CC[C@H]1CCCCN1Cc1ccc(OCc2ccccc2)c(OC)c1 4988866 PLDWEZLMDNMEPE-FQEVSTJZSA-N 339.479 5.039 0 50 EKAA Cc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 13320095 JHMWWMPRZOGKFD-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA Cc1ccc(-c2nnc([C@@H](C)Sc3ncccc3Cl)o2)cc1C 158431419 HHUONMCDOMXFPM-GFCCVEGCSA-N 345.855 5.255 0 50 EKAA C[C@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ccc2cccnc2c1 2325827933 URAXVMRQBNRTQS-KKSFZXQISA-N 330.475 5.698 0 50 EKAA CCCCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C 1770794 QOHJFLQJQNTXQD-QHCPKHFHSA-N 335.491 5.698 0 50 EKAA CC(C)Nc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12 2437366 OYAUUIOCJKCSGA-UHFFFAOYSA-N 342.874 5.168 0 50 EKAA c1csc(-c2noc(COc3ccc(C4CCCCC4)cc3)n2)c1 2875690 FRSVLYGIXPKHKQ-UHFFFAOYSA-N 340.448 5.425 0 50 EKAA CCOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(C)s1 3878403 CVLRXJLJZDQZSD-UHFFFAOYSA-N 344.867 5.914 0 50 EKAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2Cl)cc1 35561693 HHOWJYFFCCIPRX-IBGZPJMESA-N 342.870 5.798 0 50 EKAA c1ccc2c(c1)CC1=C(CC3=C(C1)CC1=C(C3)Cc3ccccc3C1)C2 71786647 PBPUFRWHEBVETR-UHFFFAOYSA-N 336.478 6.061 0 50 EKAA CCCC[Sn](Cl)(CCCC)CCCC 169743020 GCTFWCDSFPMHHS-UHFFFAOYSA-M 325.512 5.571 0 50 EKAA in-vitro Cc1cc(C(=O)Nc2cccc3ccccc23)c(-c2ccccc2)o1 549097 FMNJVLGAENWHFB-UHFFFAOYSA-N 327.383 5.661 0 50 EKAA COc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1Cl 618438 UPNXXEQSNIAWFA-UHFFFAOYSA-N 337.806 5.268 0 50 EKAA Cc1cc(C(F)(F)F)n2nc(-c3ccc(C(C)(C)C)cc3)cc2n1 96511 RZFGYVQWYJKBFC-UHFFFAOYSA-N 333.357 5.021 0 50 EKAA CCc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 317785 WHOZXKAVWAIRJV-UHFFFAOYSA-N 331.415 5.080 0 50 EKAA CCc1ccc(-c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 456247 STQMOIUQRKHEBD-UHFFFAOYSA-N 325.433 5.057 0 50 EKAA Cc1ccc(NC(=O)N(C2CCCCC2)C2CCCCC2)cc1Cl 2163952 SIRZUXSIJWMUOD-UHFFFAOYSA-N 348.918 6.148 0 50 EKAA Cc1ccc(C)c(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)c1 2526071 KDEGFBDRGJUZEV-UHFFFAOYSA-N 325.795 5.179 0 50 EKAA COc1ccccc1Nc1ccccc1C(=O)Nc1c(C)cccc1C 4846175 SESRPQFBXRVVND-UHFFFAOYSA-N 346.430 5.308 0 50 EKAA FC(F)(F)Oc1ccc(-c2csc(Nc3ccccc3)n2)cc1 5927482 SFUAKPNQFKLDJO-UHFFFAOYSA-N 336.338 5.452 0 50 EKAA CCCCc1ccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)cc1 6043174 MOQCFXNTUGVSQN-UHFFFAOYSA-N 333.431 5.559 0 50 EKAA COc1ccc(C2=C[C@H](c3ccccc3)c3ccccc3O2)cc1OC 266398 LUANHEMKNMMQAQ-LJQANCHMSA-N 344.410 5.269 0 50 EKAA biogenic Cc1sc(-c2nc3ccccc3nc2Cl)cc1-c1ccccc1 293176 LHTWQXHBFCSGKI-UHFFFAOYSA-N 336.847 5.987 0 50 EKAA CCc1cc(=O)oc2cc(OCc3cccc4ccccc34)ccc12 306477 CDPGGQPXURAGLE-UHFFFAOYSA-N 330.383 5.088 0 50 EKAA biogenic C/C=C/c1ccc(OCCCCN(C)Cc2ccccc2)c(OC)c1 2823158 QKDSSYZNTLJPGR-ONNFQVAWSA-N 339.479 5.019 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F 2958038 HDQOHHFXSCDOPO-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA CC[C@H]1CCc2sc(C(=O)Nc3cccc(SC)c3)cc2C1 6489698 XDMZMABNXNOEPZ-LBPRGKRZSA-N 331.506 5.237 0 50 EKAA CC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccsc2C(C)=O)cc1 426597160 CAKVHMKKCOHHDF-QGZVFWFLSA-N 341.476 5.022 0 50 EKAA CC(C)(C)c1ccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1 1772502176 NVCQMRCDIJQSAP-UHFFFAOYSA-N 341.498 7.034 0 50 EKAA Cc1cc(C)c(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1 225552 XTDUSCFHZIQGBQ-UHFFFAOYSA-N 343.426 5.095 0 50 EKAA CCc1ccc(O[P@](C)(=O)Nc2cc(Cl)ccc2Cl)cc1 288791 BSZIPTIGHMTQDK-NRFANRHFSA-N 344.178 5.870 0 50 EKAA Cc1c(C2SCCCS2)cccc1C1SCCCS1 392678 IVOGIZGPPKHHQU-UHFFFAOYSA-N 328.593 5.732 0 50 EKAA CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cc1 2741055 SBRZVSZODUOKLV-UHFFFAOYSA-N 345.368 5.094 0 50 EKAA COc1ccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1 5659307 PLUNGJQCZCTDAE-UHFFFAOYSA-N 341.414 5.357 0 50 EKAA COc1ccc(C(=O)CCNc2ccc(Oc3ccccc3)cc2)cc1 409553 OYIDEISPWRGILR-UHFFFAOYSA-N 347.414 5.172 0 50 EKAA CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1ccc1ccccc21 2055681 YEURVKPGQHPDCQ-FQEVSTJZSA-N 345.442 5.493 0 50 EKAA O=C(NCCCCc1ccccc1)c1sc2ccccc2c1Cl 2080121 MHRIKFNCBIJXCM-UHFFFAOYSA-N 343.879 5.307 0 50 EKAA COc1ccccc1-c1nc2ccc(C)cc2cc1CNC1CCCC1 12245782 ONLPKHZGQCMELE-UHFFFAOYSA-N 346.474 5.251 0 50 EKAA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(C)C)cc1 15224436 ZKJXTIDGBCQWFN-ICSRJNTNSA-N 340.854 5.174 0 50 EKAA CC(C)CC1(CNC(=O)C2(CC3CCCC3)CCCC2)CCCC1 1875343756 TUYTWYZUEBDAAL-UHFFFAOYSA-N 333.560 5.850 0 50 EKAA O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 374368 HVMXZGIQRXDUIE-HUUCEWRRSA-N 339.744 5.101 0 50 EKAA CCCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 444402 JQPBWJHSWOLCIS-UHFFFAOYSA-N 349.217 5.540 0 50 EKAA CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(F)cc1 451251 DTSYARKUETXEKH-UHFFFAOYSA-N 346.452 5.216 0 50 EKAA c1ccc(Cc2nnc(SCc3cccc4ccccc34)o2)cc1 1060743 LBOWCJTVCNOYBD-UHFFFAOYSA-N 332.428 5.106 0 50 EKAA Clc1ccc(Nc2ncnc3c2oc2ccccc23)cc1Cl 17208448 KKGBIXILHMEXAU-UHFFFAOYSA-N 330.174 5.426 0 50 EKAA Cc1cc(NC(=O)c2csc(C3CCCCC3)c2)c2[nH]cnc2c1 2325869154 AQDDBDIHUVAAQR-UHFFFAOYSA-N 339.464 5.233 0 50 EKAA O=C(Nc1ccccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1 449906 OOBLFXAIBBLOKO-UHFFFAOYSA-N 348.185 5.211 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 514569 JWMHZBWALQEHPO-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA CCCC[C@H](CC)COCCN(C)CCOC[C@H](CC)CCCC 19800739 PSIRGZQWZAIUGO-OYRHEFFESA-N 343.596 5.384 0 50 EKAA CCC[C@@H](NCc1cncs1)c1ccc(Oc2ccccc2)cc1 2325734857 HQRLUBYVTLDZIE-HXUWFJFHSA-N 338.476 5.566 0 50 EKAA CC(=O)Nc1cc(-c2nc3cc(Cl)cc(Cl)c3o2)ccc1C 443965 IRNPETLRTWZVSE-UHFFFAOYSA-N 335.190 5.068 0 50 EKAA CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O 3786349 HYSMCRNFENOHJH-UHFFFAOYSA-N 342.520 5.889 0 50 EKAA biogenic,in-vitro CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCN 13816329 DLHLOYYQQGSXCC-DOFZRALJSA-N 347.543 5.634 0 50 EKAA endogenous,in-man CCCCc1c/c(=N/O)oc2cc3c(cc12)CCC1(CCCCC1)O3 138027899 IDKNOVDPZHNZLG-XDOYNYLZSA-N 341.451 5.093 0 50 EKAA c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21 141748368 QQNLHOMPVNTETJ-UHFFFAOYSA-N 332.402 6.155 0 50 EKAA CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 245204833 HTAPXFSKUGZEEP-UBBSCCEASA-N 348.521 7.625 0 50 EKAA c1ccc(-c2ccc(CN[C@H]3CCCSc4ccccc43)o2)cc1 2325878177 HBSCTMUCBQHNBC-IBGZPJMESA-N 335.472 5.663 0 50 EKAA Cc1cc(C)c(NC(=O)COc2cc(C)ccc2C(C)C)c(C)c1 121205 ZDDIPMHPVCCIEN-UHFFFAOYSA-N 325.452 5.061 0 50 EKAA O=C(c1ccccc1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 192044 MDLPUNZSVCJTNH-FQEVSTJZSA-N 344.439 5.279 0 50 EKAA CCCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 174676 HKVOJOQUVHFWQP-UHFFFAOYSA-N 330.840 5.355 0 50 EKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 310623 JRNOQJPYZMIZOV-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA Cc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)c1 483280 LVXVGYMRILAKKI-KRWDZBQOSA-N 344.458 5.225 0 50 EKAA Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 588403 VBDWSFXXQNMVNR-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA S=C(Nc1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl 618676 ZLLCPSJAUFLLII-UHFFFAOYSA-N 331.655 5.456 0 50 EKAA CCCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1C 1218978 BZAGFLFFOIBBNN-UHFFFAOYSA-N 328.799 5.195 0 50 EKAA CCCCn1c(-c2csc3c2CC[C@@H](C(C)(C)C)C3)n[nH]c1=S 6636028 OVTJTRXASQDACW-GFCCVEGCSA-N 349.569 5.620 0 50 EKAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@H]32)c1 253387571 BJQOSONJQCUKEY-DOZXYCQTSA-N 337.463 5.157 0 50 EKAA Cc1ccc(NC(=O)Oc2ccc(Cl)c3cccnc23)c(C)c1 396772 GKHMXFRVRNAPHJ-UHFFFAOYSA-N 326.783 5.116 0 50 EKAA Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 968336 OOGJQPCLVADCPB-HXUWFJFHSA-N 325.496 5.341 0 50 EKAA biogenic,fda O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)c(Cl)c1 2856245 PWKBDFWMAKMBKD-UHFFFAOYSA-N 348.683 5.022 0 50 EKAA c1ccc(Oc2ccc(NCc3cnc(-c4ccco4)s3)nc2)cc1 225599253 AMADWZQOFPAFEN-UHFFFAOYSA-N 349.415 5.203 0 50 EKAA CCCc1cc(=O)oc2cc(OCc3ccc(F)cc3)c(Cl)cc12 435188 BKSPFVBKALCHCV-UHFFFAOYSA-N 346.785 5.117 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(C)c1 588448 GYJLSZPKCYCWJM-UHFFFAOYSA-N 341.414 5.099 0 50 EKAA O=C(Nc1cccc(-c2ccccc2)c1)c1ccccc1-c1ccccc1 2839759 KQGZQEGGAKHJLG-UHFFFAOYSA-N 349.433 6.273 0 50 EKAA COc1cc(Cl)c(/C=C/c2ccc3ccccc3n2)cc1OC 5065586 MXQGAPGAOOPXHW-CSKARUKUSA-N 325.795 5.076 0 50 EKAA CC1(C)Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 5500048 CQZCJPSQSMQXFL-HXUWFJFHSA-N 328.415 5.119 0 50 EKAA CN(C)c1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 33934880 UMRUDSZUNDFSRG-UHFFFAOYSA-N 331.419 5.123 0 50 EKAA C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CS1 253499882 QOPVNDPJLOUFPN-ZDJYKZBGSA-N 346.580 5.432 0 50 EKAA biogenic Cc1ccc2cccc(OC(=O)Nc3cc(Cl)cc(Cl)c3)c2n1 397992 AJBCHDSAZCFDPH-UHFFFAOYSA-N 347.201 5.461 0 50 EKAA Oc1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 2860973 HFVPJCMLPWANFJ-UHFFFAOYSA-N 337.231 5.566 0 50 EKAA COc1cc(C)ccc1OCCCOc1cc(C(C)C)ccc1C 2994732 JQYMPQDNDDVHBE-UHFFFAOYSA-N 328.452 5.283 0 50 EKAA Cc1cc(C)c2nc(-c3ccc(OC(C)C)cc3)cc(C(=O)O)c2c1 6255359 RRBQWHGTQDBCNB-UHFFFAOYSA-N 335.403 5.004 0 50 EKAA COc1ccc(OCCCOc2c(C)cc(Cl)cc2Cl)cc1 6425007 JUFAXMOQLSECNT-UHFFFAOYSA-N 341.234 5.158 0 50 EKAA CCCc1ccc(-c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1 15724098 HFMQJADHSHZKNE-UHFFFAOYSA-N 341.414 5.418 0 50 EKAA c1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 15922388 FKPNNARAWMZEHH-UHFFFAOYSA-N 328.440 6.221 0 50 EKAA CC(C)(C)OC(=O)N1C=Cc2ccccc2[C@H]1c1c[nH]c2ccccc12 1565505432 AFXSRNQAVJYCOM-FQEVSTJZSA-N 346.430 5.479 0 50 EKAA Cc1ccc(-n2c(SCCC3CCCC3)nc3ccccc32)cc1 2325817561 AZRLGNCXCJPVPB-UHFFFAOYSA-N 336.504 6.006 0 50 EKAA C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 39265 QTLYNQDPNRTKMF-KRWDZBQOSA-N 347.483 5.470 0 50 EKAA Cc1ccccc1NC(=O)Oc1c(Cl)cc(Cl)c2ccccc12 398813 VNNPPCYSTSIEBB-UHFFFAOYSA-N 346.213 6.066 0 50 EKAA O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1 900699 OGYFATSSENRIKG-UHFFFAOYSA-N 328.843 5.317 0 50 EKAA biogenic,in-vitro CCCC[C@H](CC)CO[C@]1(c2ccccc2)OC(=O)c2ccccc21 4117619 FPODYPBWBOOAMT-HTAPYJJXSA-N 338.447 5.291 0 50 EKAA CCc1ccc(O[P@@](C)(=O)Nc2cc(Cl)ccc2Cl)cc1 288793 BSZIPTIGHMTQDK-OAQYLSRUSA-N 344.178 5.870 0 50 EKAA Cc1cccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)c1C 461848 XYADPAVNUFLMCF-UHFFFAOYSA-N 343.511 5.176 0 50 EKAA CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 619265 HUKYIUWVWAQORZ-HNNXBMFYSA-N 339.460 5.154 0 50 EKAA Cc1nc(-c2ccc(C(=O)Nc3cccc4ccccc34)cc2)cs1 3005510 CDDFJZLNBUWRGV-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA Oc1cc(Cl)cc(-c2noc(-c3ccc(C4CCC4)cc3)n2)c1 1875336136 SUEOGMTZVOMCJX-UHFFFAOYSA-N 326.783 5.030 0 50 EKAA Brc1ccc2c3c(cccc13)-c1nc3ccccc3nc1-2 285244 HWGCZFYFWKIEAK-UHFFFAOYSA-N 333.188 5.193 0 50 EKAA C[C@@H]1CCc2c(C(=O)Nc3cccc(C(F)(F)F)c3)csc2C1 539947 FEMLTLZURLFGPH-SNVBAGLBSA-N 339.382 5.144 0 50 EKAA Cc1nn(C)c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c12 2741133 JVEZNDJIQCPRIB-UHFFFAOYSA-N 347.384 5.260 0 50 EKAA CCCCOc1ccc(C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1 2975240 FZQDGILPVFQBMK-INIZCTEOSA-N 325.452 5.631 0 50 EKAA Clc1ccc(C2=N[C@H](c3ccccc3)C=C(c3ccccc3)O2)cc1 5487975 GJRMBYJQEXDLHC-FQEVSTJZSA-N 345.829 5.899 0 50 EKAA Cc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)cs2)cc1 6039040 KOJVXFKLFLDNSF-UHFFFAOYSA-N 337.473 5.287 0 50 EKAA c1ccc2c(-c3cn[nH]c3[C@H]3CCCN(C4CCCC4)C3)cccc2c1 12149035 WBWCXVJDBZCDQB-SFHVURJKSA-N 345.490 5.352 0 50 EKAA COc1ccc(C(C)(C)C)cc1NC(=S)Nc1cccc(Cl)c1 13736936 ZLKQZHKZRDCNIS-UHFFFAOYSA-N 348.899 5.455 0 50 EKAA COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 149965 VHTNEOACRIUSBD-UHFFFAOYSA-N 345.613 5.299 0 50 EKAA C(=C/c1cccs1)\C1=NN(c2ccccc2)[C@H](c2cccs2)C1 234830 ZVRGFIIQETVMJI-ZGKFYVQTSA-N 336.485 5.830 0 50 EKAA Cc1cc(C)cc(C[C@@H](C)CC(=O)Nc2cccc(Cl)c2C)c1 458630 DMGCIXPHLMXHJO-OAHLLOKOSA-N 329.871 5.473 0 50 EKAA CCc1cc2c(cc1C1(C)OCC(C)(C)CO1)C(C)(C)CCC2(C)C 3122385 VZBLYSSORCIBLA-UHFFFAOYSA-N 344.539 5.844 0 50 EKAA COC(=O)CCCCCCCCCCCCCCCCC(=O)O 5440356 RHRXFESGFLYUHB-UHFFFAOYSA-N 328.493 5.486 0 50 EKAA Cc1cccc(NC(=O)Nc2ccc(Br)c(Cl)c2)c1 13321276 RONDNGXXJZNYAL-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA Cc1scc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C 13325797 UZQQLCLPYYTQCC-UHFFFAOYSA-N 333.762 5.289 0 50 EKAA CCCN(C(=O)OC(C)(C)C)c1ccc(Br)c(Cl)c1 261494468 YIBLDJQHVHXXMU-UHFFFAOYSA-N 348.668 5.254 0 50 EKAA CC[C@@H](C)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1 449852 ZCAUTKIKWDQSIF-CYBMUJFWSA-N 329.465 5.183 0 50 EKAA Cc1ccc(-n2c(-c3ccccc3Cl)nc3ccccc3c2=O)cc1 452879 BDINJPXJPGENTF-UHFFFAOYSA-N 346.817 5.015 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)CSCc1ccccc1Cl 564255 BVCBDJBFXXDJQH-UHFFFAOYSA-N 347.911 5.644 0 50 EKAA CCOc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1 2521008 KLJPLOXDGPYLMW-UHFFFAOYSA-N 345.442 5.437 0 50 EKAA Fc1ccc([C@@](c2ccccc2)(c2ccccc2F)n2ccnc2)cc1 3872602 QHMWCHQXCUNUAK-QFIPXVFZSA-N 346.380 5.002 0 50 EKAA biogenic,world Cc1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1 4036941 UELQBHNKSDBOQG-UHFFFAOYSA-N 331.500 5.163 0 50 EKAA COc1cc(C)ccc1OCCCOc1ccc(C(C)(C)C)cc1 4702018 HMCZGNQPPPKNPD-UHFFFAOYSA-N 328.452 5.149 0 50 EKAA Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)c1 15867059 IHSCAJZDKRZEOS-QGZVFWFLSA-N 328.481 5.514 0 50 EKAA Cc1ccc(C)c(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c1 183041 IMHRPLATNYJYBK-UHFFFAOYSA-N 348.393 6.189 0 50 EKAA CCc1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 308239 SYSOGPDQHGHDQT-UHFFFAOYSA-N 331.415 5.080 0 50 EKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)OCc1ccccc1F 398377 HBSFZCXEHSTCLM-UHFFFAOYSA-N 348.588 5.535 0 50 EKAA CC1=CC2(CCN(Cc3cccc4c3oc3ccccc34)CC2)OCC1 1704302772 SOYJJNHFEKNUNH-UHFFFAOYSA-N 347.458 5.287 0 50 EKAA CCc1ccc(-c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 1875353700 CVLMFQKGJZHACG-UHFFFAOYSA-N 332.399 5.193 0 50 EKAA O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccs1 190880 LLCPCUHBDRRGKC-UHFFFAOYSA-N 336.441 5.277 0 50 EKAA Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 308539 PQTJSSOEZIMJKM-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA Cc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 451377 RCAUWVSVXIOVCS-UHFFFAOYSA-N 342.851 5.333 0 50 EKAA Fc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 2468919 DCXUPSADCQSXKX-UHFFFAOYSA-N 348.808 6.203 0 50 EKAA CCc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1 2521014 HLZUDTGIWQPOOQ-UHFFFAOYSA-N 329.443 5.601 0 50 EKAA CCOc1ccc(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)cc1 13328968 HQWDRHBYXIFGMA-KRWDZBQOSA-N 332.831 5.012 0 50 EKAA Cc1oc2ccc(OCc3cccc(F)c3)cc2c1C(=O)OC(C)C 86264 AYCYBBXCGPKWFP-UHFFFAOYSA-N 342.366 5.025 0 50 EKAA Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 132074 JDGFSBXMSNOFJV-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl 1753005 PJFSBPDZRWCMRI-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA Cc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 2310022 IOSBQYYWUDDTES-UHFFFAOYSA-N 332.353 5.550 0 50 EKAA Cc1ccc([C@H](CC(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1 2900682 RATVLWMZYAIWKS-HSZRJFAPSA-N 342.482 6.325 0 50 EKAA COc1cc2c(cc1NC(=O)Nc1ccccc1)oc1ccccc12 3254224 KBRZXDDDZQCSCA-UHFFFAOYSA-N 332.359 5.239 0 50 EKAA aggregator COc1ccccc1[C@H](CCN[C@H](C)c1ccccc1)c1ccco1 4064117 BNUYZJKEVMDDRI-XLIONFOSSA-N 335.447 5.161 0 50 EKAA biogenic O=C(C[C@@H](c1ccc(Cl)cc1)[C@H]1CCCC1=O)c1ccccc1 285826 FNNLCCWPLUPOJS-MSOLQXFVSA-N 326.823 5.066 0 50 EKAA CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 432418 WSDINYVMONUDHC-OAQYLSRUSA-N 328.415 5.020 0 50 EKAA CSc1ccc(NC(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1 399748 PYKIIBDCZLDGKU-UHFFFAOYSA-N 349.883 6.105 0 50 EKAA O=C(Nc1ccccc1)Nc1nc(-c2ccc3ccccc3c2)cs1 1402784 CBWOJJPAZIPZFW-UHFFFAOYSA-N 345.427 5.607 0 50 EKAA O=C(Nc1cccc2ccccc12)Oc1ccc(C2CCCCC2)cc1 1732644 PISRNJSMBLUSAW-UHFFFAOYSA-N 345.442 6.498 0 50 EKAA Cc1ccc(C)c(Nc2nnc(-c3ccccc3)c3ccccc23)c1 2267598 JKNCOSKWGCKFMN-UHFFFAOYSA-N 325.415 5.657 0 50 EKAA O=C(Nc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 2993120 LXDHQQIWINXMKX-UHFFFAOYSA-N 334.444 5.623 0 50 EKAA O=C(O)c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 4204237 CQHZXIFZCHSGIU-UHFFFAOYSA-N 334.215 5.089 0 50 EKAA in-vitro CCOC(=O)c1sc(-c2ccc(C3CCCCC3)cc2)cc1N 95627553 WIXXLVCXJGZXDE-UHFFFAOYSA-N 329.465 5.222 0 50 EKAA CCN1/C(=C/C=C/c2nc3ccccc3s2)Sc2ccccc21 201322598 PGBJWMCCHRQZNI-DTLUPDQHSA-N 336.485 5.783 0 50 EKAA CC(C)CCn1cc(-c2ccc3ccccc3n2)c(=O)c2ccccc21 222376828 IUAVUWILJKRRJW-UHFFFAOYSA-N 342.442 5.263 0 50 EKAA CCc1ccc([C@@H](NC(=O)C2C3CC4CC(C3)CC2C4)C(C)(C)C)o1 1875343894 XTZDAOZGENIRLA-BLFMVWHGSA-N 343.511 5.118 0 50 EKAA CC[C@H](NCc1cccc(CC2CCC2)c1)C1Cc2ccccc2C1 2325841874 IQMWJKSVBYDMJZ-DEOSSOPVSA-N 333.519 5.312 0 50 EKAA COc1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1 27615 FBPIHVVAHJTNMC-UHFFFAOYSA-N 333.412 5.138 0 50 EKAA biogenic O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccccc1Cl 147098 YRSANZTUTZOEFW-CMDGGOBGSA-N 326.610 5.299 0 50 EKAA CCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1Cl 465504 SAMOFRMCOUQDRC-UHFFFAOYSA-N 338.234 5.261 0 50 EKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1 1640187 RICQYUZZQYCSRS-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA C[C@@]1(c2ccc(C3CCCCC3)cc2)NN=C(c2ccccc2)S1 2917297 LSPJJEZRQDNFPM-OAQYLSRUSA-N 336.504 5.605 0 50 EKAA Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 6338251 RSBTZIRWFSTYRT-RBBKRZOGSA-N 344.389 5.068 0 50 EKAA C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)s1 13744543 JLGLIDIBKFIPLA-ZETCQYMHSA-N 349.670 5.591 0 50 EKAA CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@@H]12 72099166 AGUBCDYYAKENKG-UGESXGAOSA-N 330.512 5.685 0 50 EKAA in-vitro C[C@H](NC1CC(c2ccccc2)C1)c1ccc(Cl)c2ccccc12 2325870074 IIYOCAYLMPZDQY-ZLPCBKJTSA-N 335.878 6.090 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)C)c(C)c1 142417 DCTQZTMPHLLTCZ-UHFFFAOYSA-N 331.843 5.098 0 50 EKAA Cc1ccc(OCc2nc3ccccc3n2[C@H](C)c2ccccc2)cc1 203103 DVUPRNCEBVVKKC-GOSISDBHSA-N 342.442 5.533 0 50 EKAA CSc1ccc(NC(=O)Oc2ccc(Cl)cc2Cl)cc1 397865 QSACXMSAEWRKFQ-UHFFFAOYSA-N 328.220 5.326 0 50 EKAA O=C(Nc1ccc(Br)cc1)Nc1cccc2ccccc12 398843 UVTMXZWZBDRRMD-UHFFFAOYSA-N 341.208 5.246 0 50 EKAA Cc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1 449409 IRQNPKYYUANPII-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA C[C@H](Sc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 450000 STSATNXLRJYRIC-JTQLQIEISA-N 326.248 5.113 0 50 EKAA c1ccc2c(Oc3ncnc4sc5c(c34)CCCC5)cccc2c1 2680200 REQLOPFJVAJYLD-UHFFFAOYSA-N 332.428 5.516 0 50 EKAA CCc1cc(=O)oc2cc(OC/C=C/c3ccccc3)c(Cl)cc12 2917927 WSZZRQMGGKCSSF-RMKNXTFCSA-N 340.806 5.101 0 50 EKAA CCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3Cl)=NN12 12490625 KCGPWVNJORGOHD-IEBWSBKVSA-N 326.827 5.010 0 50 EKAA CC[C@H](NC(=O)Nc1ccc(C(C)C)cc1)c1ccc(Cl)cc1 13328934 ZALHOHIQFIDFEH-SFHVURJKSA-N 330.859 5.736 0 50 EKAA Cc1ccc(OC(F)F)c(NC(=S)Nc2ccc(C)c(C)c2)c1 17070712 VAFFQDOSYVJQHK-UHFFFAOYSA-N 336.407 5.022 0 50 EKAA CCc1cc2c(=O)n(-c3ccc([C@@H](C)CC)cc3)c(=S)[nH]c2s1 17071932 VRBXPEUHCIHTCA-NSHDSACASA-N 344.505 5.186 0 50 EKAA Fc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 17072467 ZRYJTTUGEKRQEQ-UHFFFAOYSA-N 348.752 5.307 0 50 EKAA CC(C)(C)OC(=O)Nc1ccc(Nc2ccc3ccccc3c2N)cc1 215615354 PBVYPUCPGHHLTF-UHFFFAOYSA-N 349.434 5.513 0 50 EKAA Cc1nc(C2CCCCC2)sc1C(=O)NC[C@]1(C)CCC[C@@H]1C 1875357707 TWNODRQAXWADQZ-DJJJIMSYSA-N 334.529 5.055 0 50 EKAA Cc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)c(C)c1 2266471 VGDXSCKJQOPRMD-UHFFFAOYSA-N 325.415 5.657 0 50 EKAA O=C(NC(c1ccccc1)c1ccccc1)c1cccc2ccccc12 2749834 MRDIKLYLVLYETI-UHFFFAOYSA-N 337.422 5.359 0 50 EKAA CCn1c(CCC2CCCCC2)nnc1SCc1cccc(C)c1 17071745 LRUFPLQZQUOOQH-UHFFFAOYSA-N 343.540 5.412 0 50 EKAA Cc1cc(O)c(C(=O)Cc2ccc(Cl)cc2Cl)cc1Cl 58226 WUNHWDCMMVSCDG-UHFFFAOYSA-N 329.610 5.086 0 50 EKAA Cc1cc(OCc2cccc(C(F)(F)F)c2)c2c(C)cc(=O)oc2c1 608781 AHSRABHVCUQVDQ-UHFFFAOYSA-N 348.320 5.008 0 50 EKAA CSc1ccc2nc(N[C@H](C)CCCC(C)(C)O)cc(C)c2c1 758756 BKRRTZFNAZVPRT-CQSZACIVSA-N 332.513 5.007 0 50 EKAA CCc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 858958 ROAKDEHXKIWHGL-UHFFFAOYSA-N 348.427 5.223 0 50 EKAA CC(C)(C)c1ccc(C(=O)N(c2ccccn2)C2CCCCC2)cc1 1794654 GISOAPWLVWXODW-UHFFFAOYSA-N 336.479 5.359 0 50 EKAA CCOc1ccc(C2=C[C@@H](c3ccccc3)c3ccccc3O2)cc1 2914647 PBPVJIGKJVVLRT-NRFANRHFSA-N 328.411 5.651 0 50 EKAA Clc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1Cl 4832320 LAPZKXYCKQBJME-UHFFFAOYSA-N 334.290 5.448 0 50 EKAA Brc1cccc(-c2cccc3c2sc2ccccc23)c1 115729679 JVHWZEWMZMHZFN-UHFFFAOYSA-N 339.257 6.484 0 50 EKAA Cc1cc2c(cc1C1(C)OCC(C)(C)CO1)C(C)(C)C[C@@H](C)C2(C)C 3122390 FEEQBABXQZXDBW-MRXNPFEDSA-N 344.539 5.836 0 50 EKAA CC/C=C\C/C=C\C=C\[C@H](O)C/C=C\C/C=C\C/C=C\CCC(C)=O 64858168 WOGJPWPLTMTIHQ-SSERTXIZSA-N 342.523 6.024 0 50 EKAA in-vitro Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(Nc3ccccc3)c2)s1 170626761 BHYKXXKPGUOSFZ-MOPGFXCFSA-N 348.471 5.542 0 50 EKAA CCC[C@@H](Nc1c(C)nn(C)c1C)c1ccc(Oc2ccccc2)cc1 2325822453 YGUDVCILRDMMEO-OAQYLSRUSA-N 349.478 5.783 0 50 EKAA O=C(CCCc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 302893 CWXMBNHNDGQCSE-UHFFFAOYSA-N 342.653 5.608 0 50 EKAA CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(Nc3ccccc3)cc2)c1C 312490 VYAGQTCFQVYEJT-UHFFFAOYSA-N 346.430 5.243 0 50 EKAA COc1ccc(-c2csc(-c3ccccc3)n2)cc1Br 314973 CLVRPZJLANKPDM-UHFFFAOYSA-N 346.249 5.248 0 50 EKAA O=C(c1cccs1)c1cn(Cc2ccccc2F)c2ccccc12 573685 FRZFVVGLEVDQQV-UHFFFAOYSA-N 335.403 5.121 0 50 EKAA C(=C/c1ccc2ccc(/C=C/c3ccccc3)cc2c1)\c1ccccc1 1565080 BAXGJINOQBOMFG-PHEQNACWSA-N 332.446 7.181 0 50 EKAA Cc1ccc(C(C)(C)C[C@H](C)NCc2ccc(Cl)cc2Cl)o1 5031856 XULWZVDQNWGIQG-LBPRGKRZSA-N 340.294 5.741 0 50 EKAA COc1cccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 13774757 ZMRXPVZVZWETCK-CQSZACIVSA-N 342.508 5.040 0 50 EKAA Cc1ccc(C(C)(C)C[C@H](C)N2CCC3(C=Cc4ccccc43)CC2)o1 22077794 ZKBWIKUEQCOEEZ-SFHVURJKSA-N 349.518 5.705 0 50 EKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C(C)(C)O)cnc21 169982372 MXBIIYIIDGTFIP-UHFFFAOYSA-N 332.564 5.287 0 50 EKAA Fc1ccc(Oc2ncc(-c3ccc(C4CCC4)cc3)cn2)c(F)c1 1875336182 URSNLSHCDPIAIA-UHFFFAOYSA-N 338.357 5.482 0 50 EKAA Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)c1 307139 MRPCJENPXZHNMO-NRFANRHFSA-N 346.405 5.214 0 50 EKAA c1ccc(Nc2scc(-c3cccs3)[n+]2-c2ccccc2)cc1 406579 JEVDVDVTJQNQLW-UHFFFAOYSA-O 335.477 5.497 0 50 EKAA O=C(/C=C/c1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl 473537 YVRNLJAICXKUSB-RMKNXTFCSA-N 326.610 5.299 0 50 EKAA CCCC[C@H](NC(=O)c1ccccc1Br)c1ccccc1 2826362 UTNLOFIEQXNRHK-KRWDZBQOSA-N 346.268 5.110 0 50 EKAA Cc1cc(OCCCCOc2cccc3cccnc23)ccc1Cl 2985829 AAAZTJMBMUSWBE-UHFFFAOYSA-N 341.838 5.435 0 50 EKAA CC(C)(C)c1cc(C(=S)Nc2ccccc2)cc(C(C)(C)C)c1O 3145501 UMCHDGKQBRCVFB-UHFFFAOYSA-N 341.520 5.775 0 50 EKAA biogenic Cc1sc(N)c(C(=O)OC(C)C)c1-c1ccc(C(C)(C)C)cc1 5921291 QGKSVOWLTXNSMV-UHFFFAOYSA-N 331.481 5.168 0 50 EKAA Cc1ccc(-c2ccc(OCc3ccc(-c4ncco4)cc3)cc2)cc1 1875405022 LCDWKXFGRRAUQZ-UHFFFAOYSA-N 341.410 5.896 0 50 EKAA Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccccc1 97290 DWAUNQITACPFQN-OAQYLSRUSA-N 333.456 5.375 0 50 EKAA Cc1ccn2c(Nc3c(C)cccc3C)c(-c3ccsc3)nc2c1 426789 FRYIXWBMVLUMFM-UHFFFAOYSA-N 333.460 5.732 0 50 EKAA aggregator C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)c(Cl)c1 441688 PODJZOYJHVBOTL-JTQLQIEISA-N 338.209 5.114 0 50 EKAA CCCC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 462803 UBRIPJLELQJYRZ-UHFFFAOYSA-N 329.403 5.122 0 50 EKAA CCc1cccc(C)c1NC(=O)CCSc1ccc(Cl)cc1 470658 GEILQRMCLZVFDF-UHFFFAOYSA-N 333.884 5.332 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)Nc1cccc(C(F)(F)F)c1 2161896 MXRBKZZFGQSWRX-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA CC(C)[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1ccccc1 2364074 RKQVLSXYNUKQHI-VGOFRKELSA-N 335.491 5.182 0 50 EKAA CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccc(CC)cc1 2810197 XSLALWNJRSRAMO-IBGZPJMESA-N 347.395 5.626 0 50 EKAA Cc1cc(OC/C=C/COc2ccc(Cl)c(C)c2)ccc1Cl 4583081 UBXGANKZWOPRDF-ONEGZZNKSA-N 337.246 5.624 0 50 EKAA C[C@H]1C[C@@H](C)CN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 4989348 BLXRGGUYLQLXBJ-IYBDPMFKSA-N 329.871 5.610 0 50 EKAA Cc1ccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn23)cc1C 10383662 JRUWLKASAVXKHA-UHFFFAOYSA-N 342.446 5.374 0 50 EKAA C[C@@H]1CCC[C@@H](C)N1CC/C=C(\c1ccccc1)c1cccs1 96027823 YZDBBELREPRMOV-WLWPOCPESA-N 325.521 5.833 0 50 EKAA CC(C)(C)C[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1 1875306571 KTQNDMUMXIPESN-OALUTQOASA-N 349.877 5.280 0 50 EKAA CC[C@@H](C)c1nc(C2CCC(F)(F)CC2)n(-c2cccc(C)c2)n1 1875348853 DUARXPPKACXWKE-CQSZACIVSA-N 333.426 5.382 0 50 EKAA O=C(CSc1ccc(Cl)cc1)c1ccc(Br)cc1 172838 RRIRUUDKPGOCHF-UHFFFAOYSA-N 341.657 5.078 0 50 EKAA CCOc1ccc(NC(=O)N(CCC(C)C)[C@H](C)c2ccco2)cc1 263024 JWZAZRZNUZJJHL-MRXNPFEDSA-N 344.455 5.320 0 50 EKAA C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccccc1 371484 FKTPVAPZTFTQLP-SNVBAGLBSA-N 333.815 5.185 0 50 EKAA CCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 476759 QPTYOIWVEFKDIG-UHFFFAOYSA-N 332.403 5.081 0 50 EKAA CCC(CC)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 617220 PNWNLUDIKBRSIQ-UHFFFAOYSA-N 344.267 5.001 0 50 EKAA Cc1ccc2cccc(OCCOc3cccc(C(F)(F)F)c3)c2n1 2823600 CQSIVRUQMLQREN-UHFFFAOYSA-N 347.336 5.020 0 50 EKAA Cc1cccc(Cl)c1OCCCCOc1cccc2cccnc12 2986906 ULIZNNBHLHOWKS-UHFFFAOYSA-N 341.838 5.435 0 50 EKAA Cc1ccccc1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 17067384 JXJJOHNSRAZZSG-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA C[C@H](CCc1ccc(O)cc1)NC(c1ccccc1)c1ccccc1 23283033 ZRYJNMRAZMEDCD-GOSISDBHSA-N 331.459 5.093 0 50 EKAA CCCOc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2C)cc1 2738141 HBNOUDVKMPXCOM-UHFFFAOYSA-N 335.403 5.006 0 50 EKAA Cc1nc(Nc2cccc(Cl)c2)c2c3c(sc2n1)CCCC3 2812790 YOUWJEDSZPZCRY-UHFFFAOYSA-N 329.856 5.276 0 50 EKAA C[C@@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CCCCC1 2814093 PAEMYHNFILOKDL-IBGZPJMESA-N 335.491 5.026 0 50 EKAA O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1F 4541809 XYIBRURNHGNQDV-UHFFFAOYSA-N 343.785 5.310 0 50 EKAA CS[C@H](C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12)C(C)C 2325823797 FINGTOJNRJLFBY-IBGZPJMESA-N 338.476 5.161 0 50 EKAA Cc1cccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 99447 BTUPNSAKYGYDEJ-LLVKDONJSA-N 349.217 5.492 0 50 EKAA Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1C 150775 UAWFFTCFTCRJHB-GOSISDBHSA-N 345.442 5.376 0 50 EKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 434641 IBXDONHUTXKONE-JTQLQIEISA-N 326.248 5.113 0 50 EKAA CC(C)c1ccc(CNc2cccc(-c3nc4ccccc4o3)c2)cc1 2820738 AEZDEWPXJMCGEN-UHFFFAOYSA-N 342.442 6.230 0 50 EKAA Cc1ccc(C(C)C)c(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 2849669 CJAWIQDBTGDHGW-UHFFFAOYSA-N 344.279 5.033 0 50 EKAA Fc1ccccc1-n1ncc2c(C(F)F)cc(-c3ccccc3)nc21 20604128 UKHQRMHEAYVVLE-UHFFFAOYSA-N 339.320 5.164 0 50 EKAA CCC(CC)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 95705002 OEESYRPHKQOKLA-UHFFFAOYSA-N 341.454 6.387 0 50 EKAA in-vitro CC(C)(c1ccc(N)cc1)c1cccc(C(C)(C)c2ccc(N)cc2)c1 2564791 KWOIWTRRPFHBSI-UHFFFAOYSA-N 344.502 5.503 0 50 EKAA Cc1cccc(C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)c1 2756128 JFGPCCZDUZDSGA-UHFFFAOYSA-N 330.427 5.540 0 50 EKAA CC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCC(=O)O 14449053 DDCYKEYDTGCKAS-ZNNDKXMZSA-N 344.495 5.520 0 50 EKAA in-vitro COc1cc2c(cc1NC(=O)CCc1ccccc1)oc1ccccc12 51514478 VGULHZLFVHCFAF-UHFFFAOYSA-N 345.398 5.166 0 50 EKAA CC(C)[C@@H]1CC[C@@H]2C[C@@H]3[C@H](C[C@@H]12)C(=O)[C@@]12CC[C@@H](C)[C@@H]1CC[C@@]32C 71786335 IDKZLVVDDCTAHM-XPVOALGBSA-N 328.540 5.726 0 50 EKAA Cc1sc(-c2c[nH]c3ccccc23)nc1-c1c[nH]c2ccccc12 152222 HOVUUDWIEWFMFB-UHFFFAOYSA-N 329.428 5.748 0 50 EKAA CC[C@@H](C)C(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 169755 MSPNTABSPLJOBU-SNVBAGLBSA-N 349.546 5.834 0 50 EKAA Cc1cc(C)cc(C[C@H](C)CC(=O)Nc2cccc(Cl)c2C)c1 458631 DMGCIXPHLMXHJO-HNNXBMFYSA-N 329.871 5.473 0 50 EKAA C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc2ccccc2c1 2848526 ZTSIARIWXDMWHJ-KRWDZBQOSA-N 339.438 5.413 0 50 EKAA CCc1c(-c2nnc(-c3ccc(Br)cc3)o2)csc1C 17072503 UTLAXVKQHIBSST-UHFFFAOYSA-N 349.253 5.098 0 50 EKAA Clc1ccc([C@H]2CC(c3cccs3)=NN2c2ccccc2)cc1 39959752 NYQNRPXWNWIFSC-GOSISDBHSA-N 338.863 5.757 0 50 EKAA CN1[C@H]2CC[C@H]1CC(O[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 100579659 OCAXFDULERPAJM-IRFCIJBXSA-N 341.882 5.071 0 50 EKAA in-vitro CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]23)c1 253387572 BJQOSONJQCUKEY-FQLQXFBQSA-N 337.463 5.157 0 50 EKAA Cc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1C 117242 MWKQGXOYAKMUIR-UHFFFAOYSA-N 329.399 5.180 0 50 EKAA CC[C@H](C)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 505753 GCVNUTQPMWRXBI-HNNXBMFYSA-N 325.452 5.143 0 50 EKAA CCC(CC)C(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C 2291001 VYBFFTOERBODNM-DEOSSOPVSA-N 349.518 5.944 0 50 EKAA CC(C)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 5911932 FRRSFTBJAGFALS-UHFFFAOYSA-N 327.512 5.918 0 50 EKAA C[C@H]1CCCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl 17067182 OWXICJFKLWKQCY-VIFPVBQESA-N 328.264 5.223 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1Cl 36621186 NIQJGGKLQMBDIO-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA CCCC[C@]1(O)[C@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245231367 CILLEQOHMDEEAL-UDMCKFQASA-N 337.507 5.266 0 50 EKAA Cc1cccc(COc2ccc(NC(=O)c3ccccc3C)cc2)c1 675030716 HWEXGNAFHQEAQL-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA CC[C@@H](C)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 31491 RGFYWKFTWCFKRY-CYBMUJFWSA-N 333.884 5.584 0 50 EKAA Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2Cl)cc1 141815 RGCQEHMRAGJAJP-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA Cc1cccc(C)c1NC(=O)c1cccc(OCc2ccccc2)c1 452104 PAVMQTIIJFLFLX-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA CCCCOc1ccccc1NC(=O)c1scc2c1CCCC2 2191703 HJHKLXRDXBVCDH-UHFFFAOYSA-N 329.465 5.058 0 50 EKAA O=C(NCCSC1CCCCC1)c1ccc(-c2ccccc2)cc1 2842984 JTXIHSHZQZVPJS-UHFFFAOYSA-N 339.504 5.149 0 50 EKAA Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 2845513 RZJCXNYVDNKREI-NRFANRHFSA-N 349.861 5.476 0 50 EKAA Clc1ccc(N2C[C@H](c3ccccc3)C(c3cccs3)=N2)cc1 4020954 VHFRRGFLULMGBA-QGZVFWFLSA-N 338.863 5.410 0 50 EKAA CCCCOc1ccc(/N=c2\cc(C)[nH]c3ccc(Cl)cc23)cc1 5848934 OGBYWTUNHPMPSN-UHFFFAOYSA-N 340.854 5.541 0 50 EKAA CCOc1ccc2nc(SCc3ccc(OC)c(F)c3)sc2c1 291441 SAJQELXREUYRNX-UHFFFAOYSA-N 349.452 5.135 0 50 EKAA O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cccc(Cl)c2)o1 447533 YHCJFBZCAXJDCS-UHFFFAOYSA-N 332.186 5.506 0 50 EKAA Cc1ccc(C(C)C)c(OCCCOc2cccc3cccnc23)c1 4702118 MDWUUGHPXGSCMV-UHFFFAOYSA-N 335.447 5.515 0 50 EKAA Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 12039558 FLLMUYQTLMOVFC-FYYLOGMGSA-N 340.426 5.237 0 50 EKAA Cc1nn2c(-c3ccc(Cl)cc3)ccnc2c1-c1ccc(F)cc1 71384862 UDNXDKGGWLGSTN-UHFFFAOYSA-N 337.785 5.164 0 50 EKAA CC(C)[C@H](/C=C1\CCCC[C@@H]1c1ccccc1)C(=O)OC(C)(C)C 216548941 MBAVADPPLZYFCX-QCKBSDDKSA-N 328.496 5.885 0 50 EKAA FC(F)(F)c1ccc2cnc(-c3c(Cl)cccc3Cl)n2c1 263640073 WICIXQWMCAYUDH-UHFFFAOYSA-N 331.124 5.327 0 50 EKAA CCC[C@H](NCCOC1CCC1)c1ccc(Oc2ccccc2)cc1 2325822229 LBRTYQYDBGDPJM-QFIPXVFZSA-N 339.479 5.479 0 50 EKAA C/C=C/c1ccc(OCCCSc2ccc(Cl)cc2)c(OC)c1 2994831 IQEAZHZKZJCJHV-HWKANZROSA-N 348.895 5.943 0 50 EKAA CC(C)=C1[C@H]2CC[C@H]1C1=CC(=C(c3ccccc3)c3ccccc3)C=C12 101052884 RSZGWZVKHDCUJO-VXKWHMMOSA-N 336.478 6.731 0 50 EKAA Brc1ccccc1CC1c2ccccc2-c2ccccc21 138362576 NMRVZUOQBGOFDK-UHFFFAOYSA-N 335.244 5.804 0 50 EKAA in-vitro CCc1cccc(C)c1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 470833 ZDBXROCRHWPQEU-ZDUSSCGKSA-N 333.884 5.330 0 50 EKAA O=Cc1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1 1384364 XIPDVARSVVHQCT-UHFFFAOYSA-N 330.431 5.400 0 50 EKAA CCCN(CCC)P(N(CCC)CCC)N(CCC)CCC 4352558 KPDXRSBWIPGWLS-UHFFFAOYSA-N 331.529 5.579 0 50 EKAA O=C(c1ccc(Cl)cc1)c1cnc(Nc2ccccc2Cl)s1 1399950 IRQOIZZTORKYAG-UHFFFAOYSA-N 349.242 5.425 0 50 EKAA CSc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 2055682 GZYZPHPDKCTFFH-UHFFFAOYSA-N 342.467 6.133 0 50 EKAA COc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1ccccc1 3898185 PUYJFJIIBMNMGD-OAQYLSRUSA-N 328.415 5.051 0 50 EKAA CC(=O)Oc1ccc2ccccc2c1/C=C/c1ccc2ccccc2n1 4998870 NKTNDDQJSUOFEL-BUHFOSPRSA-N 339.394 5.484 0 50 EKAA CC(C)(C)c1ccc(-c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1 5685939 OUKPMTZUJSEDBQ-UHFFFAOYSA-N 326.827 5.400 0 50 EKAA Cc1ccc(-c2c(-c3ccccc3)ncn2CCCc2cccnc2)o1 65376676 JZGMEGRYHXEXNU-UHFFFAOYSA-N 343.430 5.146 0 50 EKAA CCCC[Sn](CCCC)(CCCC)C1CC1 169822328 RUCOUXAHBYBPHL-UHFFFAOYSA-N 331.132 6.000 0 50 EKAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 252320863 YQNTWNOXMQOVET-ZOYJPBRRSA-N 329.871 5.607 0 50 EKAA CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 376252 JODHWOWJUWOKIF-UHFFFAOYSA-N 333.387 5.130 0 50 EKAA Br/C(=C(/Br)c1ccccc1)c1ccccc1 1765197 XNJYRGMCZCPTJE-BUHFOSPRSA-N 338.042 5.302 0 50 EKAA c1ccc(COc2ccc(CNc3ccc4c(c3)CCC4)cc2)cc1 2894036 SSJCVXSFARQXPW-UHFFFAOYSA-N 329.443 5.366 0 50 EKAA CCOc1nc2c(c(C(F)(F)F)n1)C[C@@H](C)C/C2=C\c1ccccc1 4184960 YAGQAFACHQMKMQ-SEVUAYLXSA-N 348.368 5.017 0 50 EKAA Cc1ccc(-c2noc(-c3cc(Br)ccc3Cl)n2)cc1 5059976 LRZCTUVEUQGLFT-UHFFFAOYSA-N 349.615 5.128 0 50 EKAA CCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3Cl)=NN21 5523638 KCGPWVNJORGOHD-PKOBYXMFSA-N 326.827 5.010 0 50 EKAA Cc1ccc([C@@H](c2ccccn2)[C@](C)(O)c2cccc(Cl)c2)cc1 71767209 GXWLUVGEADLUOI-LEWJYISDSA-N 337.850 5.083 0 50 EKAA CCCCc1ccc(-c2ccc(I)cc2)cc1 82046886 KTEKHPDWAMYUBP-UHFFFAOYSA-N 336.216 5.301 0 50 EKAA Cc1noc(C)c1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 265398882 VKJSDYIXIRHCJU-INIZCTEOSA-N 347.846 5.094 0 50 EKAA C[C@H](Nc1ccc2ncsc2c1)c1ncc(-c2ccc(F)cc2)o1 1875336359 XVXRTRIFZSOSAH-NSHDSACASA-N 339.395 5.264 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 1188 ZFSXZJXLKAJIGS-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA in-man O=C(C[C@@H](c1ccc(Cl)cc1)[C@H]1CCCCC1=O)c1ccccc1 237868 GUEDHQCUZRWRLD-MOPGFXCFSA-N 340.850 5.456 0 50 EKAA Cc1cc(C)cc(NC(=O)c2ccccc2OCc2ccccc2F)c1 311373 ZFFVUZDRWLIAII-UHFFFAOYSA-N 349.405 5.274 0 50 EKAA CC1CCC(NC(=O)c2ccccc2SCc2ccccc2)CC1 471459 CSXURQFFYDZTBZ-UHFFFAOYSA-N 339.504 5.287 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Sc1ccc(Cl)cc1 1728330 GJFBRWHBAOSNMJ-UHFFFAOYSA-N 332.639 5.971 0 50 EKAA O=C(/C=C/c1cccc(F)c1)Nc1ccc(Oc2ccccc2)cc1 4542920 OQKGCAPMMOKHFB-NTEUORMPSA-N 333.362 5.270 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 36620896 WMZGTZXBVHBJSQ-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA C1=CN(C2=C(N3CCOCC3)CCCCCCCCCC2)CCCC1 254500166 UZWXGZJGTKABKP-UHFFFAOYSA-N 346.559 5.444 0 50 EKAA C[C@@H](NCCc1ccc(Cl)s1)[C@@H](C)c1cc2ccccc2s1 1875343896 XVKHZKCCFRIXIS-CHWSQXEVSA-N 349.952 5.941 0 50 EKAA C[C@H](c1ccccc1)n1c(=O)n(C[C@@H]2CCC(C)(C)C2)c2ccccc21 1875357395 FKJJBJKYIUOWGX-QZTJIDSGSA-N 348.490 5.239 0 50 EKAA O=C([C@@H](F)CC1CCCCC1)N1c2ccccc2C=Cc2ccccc21 2325817680 KZMPKMUQIPBPIN-FQEVSTJZSA-N 349.449 6.144 0 50 EKAA O=C(Nc1cccc2ccccc12)N1CC=C(c2ccccc2)CC1 616758 LSIACABSACQTKJ-UHFFFAOYSA-N 328.415 5.161 0 50 EKAA C1=C(c2ccc3ccccc3n2)[C@H](c2ccccc2)c2ccccc2N1 1071901 DZPPRMVJKJMNJX-XMMPIXPASA-N 334.422 5.833 0 50 EKAA CCCC[C@@H](CC)C[C@@H](CC)COCCN(CCCC)CCCC 5298575 ZRONTZLCXUMGMO-FGZHOGPDSA-N 341.624 6.538 0 50 EKAA c1cc2c3c(cccc3c1)[C@@H]1C[C@H]3c4cccc5cccc(c45)[C@@H]3C[C@H]21 71784951 UFWHXJPHNAASJP-NEWJYFPISA-N 332.446 6.849 0 50 EKAA CC1(C)CCC[C@@H]1CNC(=O)c1ccc(OCC2CCCCC2)cc1 1875268253 AMDUMQDXNKBQPS-LJQANCHMSA-N 343.511 5.202 0 50 EKAA C[C@H](CC1CCCCC1)C(=O)N1CCCC[C@@H]1c1cccc(O)c1 1875343440 IRDLOOVSIYWUJV-OXQOHEQNSA-N 329.484 5.052 0 50 EKAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cc1 127697 LUMMVNQEASWIRN-UHFFFAOYSA-N 347.201 5.209 0 50 EKAA Cc1cccc(Cl)c1NC(=O)Nc1cc(Cl)ccc1Cl 398104 RCCWHMNXZNHETB-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA COc1cc2c(cc1NC(=O)CCC1CCCC1)oc1ccccc12 3663548 QYHRKRCEJFBQTD-UHFFFAOYSA-N 337.419 5.504 0 50 EKAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)cc1 18175846 PCDZKIMSRIFHFJ-SFHVURJKSA-N 344.842 5.026 0 50 EKAA COC(=O)C[C@@H](C)CCCCCCCCCCCCc1ccccc1 44076035 JPSAJPNKLSJSSO-NRFANRHFSA-N 346.555 6.719 0 50 EKAA Clc1ccc(-c2csc3ncnc(NCc4ccco4)c23)cc1 83789 AUUVHAGXRMINSY-UHFFFAOYSA-N 341.823 5.217 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)/C=C/c1c(F)cccc1Cl 476299 AKJBXYNFVZTJGJ-ZHACJKMWSA-N 331.818 5.563 0 50 EKAA Cc1ccc2nc(Nc3ccccc3Cl)nc(-c3ccccc3)c2c1 2690379 SOHZRNJGKQNXAL-UHFFFAOYSA-N 345.833 6.002 0 50 EKAA CCc1cccc2c(C(C)=O)cn(CCCOc3ccccc3C)c12 4759592 DAFBTFAOHKOWSJ-UHFFFAOYSA-N 335.447 5.184 0 50 EKAA O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1 7992846 ODYAQBDIXCVKAE-UHFFFAOYSA-N 349.405 5.160 0 50 EKAA in-vitro CCCCN1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 33639112 LDCAVJYDEQRFHB-RTWAWAEBSA-N 343.898 5.320 0 50 EKAA CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl 1857800116 AMVNQQHPHGNFBK-UHFFFAOYSA-N 348.837 5.173 0 50 EKAA OCC1(c2ccc(NCc3cccc(CC4CCC4)c3)cc2)CCCC1 2325842233 SAXPDXDKHHDOKY-UHFFFAOYSA-N 349.518 5.445 0 50 EKAA CSc1ccc(NC(=O)Oc2ccc(Cl)c(Cl)c2)cc1 399303 WAXUCQYKFXHCEQ-UHFFFAOYSA-N 328.220 5.326 0 50 EKAA Cc1nc(Sc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 1793930 DWQHWUYBYFYPCB-UHFFFAOYSA-N 346.908 5.683 0 50 EKAA COc1cc2c(cc1NC(=O)c1ccc(C)c(C)c1)oc1ccccc12 4664550 PTSMMVXTJDXEPE-UHFFFAOYSA-N 345.398 5.464 0 50 EKAA Clc1ccc(C2=N[C@H](c3ccccc3)N3[C@@H](c4ccccc4)[C@H]23)cc1 16999111 JTMWJVWEVLMMNX-QYGYTYJESA-N 344.845 5.267 0 50 EKAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1cccc(C2CCC2)c1 1875305497 UCUZAXRRHNEERC-AQYVVDRMSA-N 349.474 5.074 0 50 EKAA O=C(Nc1ccc(Cl)cc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 54980 JQSMHWYVQYEFLS-FQEVSTJZSA-N 347.845 5.285 0 50 EKAA O=C(O)c1cccc2cccc(-c3cccc4cccc(C(=O)O)c34)c12 133444 XGDAODQNSVFBGM-UHFFFAOYSA-N 342.350 5.056 0 50 EKAA in-vitro CC(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 303167 PPRPTSUHFPMWMA-UHFFFAOYSA-N 338.234 5.134 0 50 EKAA Cc1ccccc1NC(=O)c1c(N)sc2c1CC[C@H](C(C)(C)C)C2 305522 HJWIYGYEAATMPU-ZDUSSCGKSA-N 342.508 5.042 0 50 EKAA Cc1c(C)c2ccc(OCc3cccc4ccccc34)cc2oc1=O 306264 RVOIPIZQAFWAPJ-UHFFFAOYSA-N 330.383 5.142 0 50 EKAA O=c1cc(-c2ccccc2)c2ccc(OCc3cccc(F)c3)cc2o1 315810 XUUFZIFSKUHXNW-UHFFFAOYSA-N 346.357 5.178 0 50 EKAA Cc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 361955 HMHDLTSVWJTPPC-UHFFFAOYSA-N 349.817 5.132 0 50 EKAA COc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)c(C)c1 609893 SVVIYJKWMIUEJQ-UHFFFAOYSA-N 341.263 5.119 0 50 EKAA Cc1ccc(NC(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1 999843 AHFUOIPGUBAFMY-UHFFFAOYSA-N 329.450 5.132 0 50 EKAA OC(CSc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 1393336 FZLZCTNLUAZNFA-UHFFFAOYSA-N 340.875 5.368 0 50 EKAA Cc1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1C 2992809 NOLQEDQYCIBVHQ-UHFFFAOYSA-N 343.470 6.271 0 50 EKAA O=C(Nc1ccccc1Oc1ccccc1)c1c(F)cccc1F 13329694 KEPWQDRIXIPLMM-UHFFFAOYSA-N 325.314 5.009 0 50 EKAA CC[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27638954 OSXOPUBJJDUAOJ-MWEXLPNRSA-N 344.495 5.760 0 50 EKAA endogenous,in-man Cc1cccc(NC(=O)N2CCc3ccc(-c4ccccc4)cc3C2)c1 1875317687 IIJGBTLIDSRXGF-UHFFFAOYSA-N 342.442 5.252 0 50 EKAA Cc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1 274988 OXDKGYVRIJMVGI-MRXNPFEDSA-N 338.259 5.080 0 50 EKAA COc1cc(C)ccc1OCCCCOc1ccc(Cl)c(C)c1 2985631 VMKZTGNJXZEGPJ-UHFFFAOYSA-N 334.843 5.203 0 50 EKAA O=C1Nc2ccccc2Oc2cc(Oc3cccc(Cl)c3)ccc21 4745789 ZSYKRAYAHWZONK-UHFFFAOYSA-N 337.762 5.490 0 50 EKAA aggregator CCC[C@@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 6274322 HZISAOWMFZTPIE-AZUAARDMSA-N 340.854 5.400 0 50 EKAA CCO[C@H](C)c1nc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)cs1 170633641 BFVQJOPRDLKUOZ-VQIMIIECSA-N 344.524 5.195 0 50 EKAA CCN(CC)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2325893870 DZSLJSOMPOGFNY-UHFFFAOYSA-N 326.871 5.373 0 50 EKAA C[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 91222 VILKVBQVVXZVAU-HNNXBMFYSA-N 346.455 5.760 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 357739 MABUUCMKZYYVFS-UHFFFAOYSA-N 338.794 5.776 0 50 EKAA COc1ccc(SC(=O)Nc2cccc(Cl)c2Cl)cc1 399686 ZLMGRPPIRNLGLU-UHFFFAOYSA-N 328.220 5.326 0 50 EKAA O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3s2)c1 444615 XVOPZVPJMBQNOB-ZHACJKMWSA-N 346.411 5.208 0 50 EKAA COc1cc(C=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 454348 XSKKWGJFWPYJMB-UHFFFAOYSA-N 345.609 5.047 0 50 EKAA Cc1nn2c(-c3ccsc3)ccnc2c1-c1cccc(Cl)c1 71376517 BENZGIUPNDUICX-UHFFFAOYSA-N 325.824 5.087 0 50 EKAA Cc1cccc(NC(=O)[C@@H]2C[C@@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2)c1 245253701 KODXCSWTOHUZBU-NNZMDNLPSA-N 329.528 6.058 0 50 EKAA Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1 68974 WGONJIMAHVWCRZ-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(F)F)c12 2733870 FURPERSFTNOLAR-UHFFFAOYSA-N 341.386 5.395 0 50 EKAA C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3C(C)(C)C3(Cl)Cl)c21 4107561 RCLDZICXMAUTNU-QMTHXVAHSA-N 340.294 5.240 0 50 EKAA CN(C)CCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12 4947578 BMEXFKHUJAIVFD-UHFFFAOYSA-N 341.458 5.029 0 50 EKAA O=C(NCCCCC1CCCC1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325866710 XDFUBVSWJKDEOL-UAPYVXQJSA-N 348.918 5.246 0 50 EKAA Cc1cc2oc(C(=O)Nc3ccc(OC(F)F)cc3)c(C)c2cc1C 617750 MTPKLWBLGRCBGV-UHFFFAOYSA-N 345.345 5.212 0 50 EKAA COc1ccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1 1859261 UZCIOXFULNCRQK-UHFFFAOYSA-N 341.414 5.357 0 50 EKAA CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 2784928 KFTCETSMAMPXTQ-MRXNPFEDSA-N 339.479 5.262 0 50 EKAA Cc1ccccc1COc1ccccc1-c1nc2ccccc2s1 4808527 WCGJKBFQSGUKKA-UHFFFAOYSA-N 331.440 5.851 0 50 EKAA S=c1[nH]c(-c2ccc(-c3ccccc3)cc2)cn1-c1ccccc1 5313479 IIZAHERYTMAPBN-UHFFFAOYSA-N 328.440 5.869 0 50 EKAA Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2cc(C)ccc2C)c1 64984637 WOVVWWAZJMMYIE-NRFANRHFSA-N 336.479 5.761 0 50 EKAA CSc1ccc2c(C)cc(NCCCC[C@@H]3CCCO3)nc2c1 1529186471 GCCAVFUVCWSNPN-OAHLLOKOSA-N 330.497 5.026 0 50 EKAA Cc1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 514841 AHQPKTIPLDLZED-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA Cc1ccc(C(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccccc2)cc1 571990 YWLADLYAIILOQJ-QFIPXVFZSA-N 344.410 5.084 0 50 EKAA CCCCC(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 2973084 XWFSFEGWOHNVDY-UHFFFAOYSA-N 328.799 5.277 0 50 EKAA Cc1cc(C)c(C)c(OCCCCOc2cc(C)cc(C)c2C)c1 3106040 AEGIDPWYFLGUCJ-UHFFFAOYSA-N 326.480 5.775 0 50 EKAA CC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5340056 OPIBMXDWZAKVQI-UHFFFAOYSA-N 336.458 5.995 0 50 EKAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2C)s1 15867019 PMSWYKGYTYOIFW-KRWDZBQOSA-N 328.481 5.514 0 50 EKAA CC[C@@H](NCc1cnc(-c2ccccc2C)s1)c1cc(C)ccn1 65507755 GQUVRNRKKCNGQK-GOSISDBHSA-N 337.492 5.063 0 50 EKAA COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 97757280 RIYVMLDXRRIETQ-UHFFFAOYSA-N 349.135 5.466 0 50 EKAA O=c1c(Oc2ccccc2)coc2cc(OCc3ccccc3)ccc12 45148 JYQGTNHFELJFDU-UHFFFAOYSA-N 344.366 5.164 0 50 EKAA O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1 88339 DLYNPURKVHSMQY-UHFFFAOYSA-N 348.789 5.401 0 50 EKAA Cc1nc(CSc2ncnc3sc4c(c23)CCCCC4)cs1 619198 ZYXYNJKGVSTXDV-UHFFFAOYSA-N 347.534 5.017 0 50 EKAA Sc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 3107446 PABZFYBJRQNNMP-UHFFFAOYSA-N 338.475 6.976 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1Cl 64985018 LRQNGXKMLQTNPX-INIZCTEOSA-N 347.846 5.129 0 50 EKAA CC[C@@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccccc2)n(C)c2ccccc12 334163481 ULFJZQFBFIWLSX-OXQOHEQNSA-N 346.474 5.307 0 50 EKAA Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cccs2)cc1 83950 JAXFPHGAEBULJN-UHFFFAOYSA-N 334.488 5.390 0 50 EKAA CC(C)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 459145 HKPSZJLDLQDJQE-UHFFFAOYSA-N 339.822 5.368 0 50 EKAA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2C)c2ccccc2)cc1 482456 PCGVRPOTZGPHPH-QFIPXVFZSA-N 344.410 5.084 0 50 EKAA Cc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)c(Cl)c1 2878241 CTZTWHKDTJPNKD-UHFFFAOYSA-N 333.903 5.756 0 50 EKAA CCCCc1ccc(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)cc1 13329031 OMEBSYQKJARBGT-IBGZPJMESA-N 344.886 5.955 0 50 EKAA CCCCCC[C@H](C)COC(=O)c1cccc2c1ccn2C(C)C 1875357298 AKYKNOVMOVSIJA-KRWDZBQOSA-N 329.484 5.986 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 613891 VZSVGWJJPFCXJQ-AWEZNQCLSA-N 345.870 5.352 0 50 EKAA CCCc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1 2526057 QCBWPZTUSNRQBK-UHFFFAOYSA-N 339.822 5.514 0 50 EKAA CCCN(Cc1ccccc1)C(=O)Nc1ccc2nc(C)sc2c1 2845873 KDLSRGYUEHAHLS-UHFFFAOYSA-N 339.464 5.049 0 50 EKAA O=C(Nc1c(F)c(F)c(F)c(F)c1-c1ccccc1)c1ccccc1 5008762 UGGYXRJYDMQFNQ-UHFFFAOYSA-N 345.295 5.162 0 50 EKAA Cc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1C 15866990 ANYGLDNZYLKVEN-KRWDZBQOSA-N 328.481 5.514 0 50 EKAA Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 1792728 KKPVRKWMIRDMSC-UHFFFAOYSA-N 329.424 5.850 0 50 EKAA O=C1CCCC[C@@H]1[C@@H](Nc1ccc2ncccc2c1)c1ccc(F)cc1 2469380 SBGHKGVVQISYCE-UGKGYDQZSA-N 348.421 5.286 0 50 EKAA Cc1ccc(-c2nc3c(C)c(Cl)ccc3c(C(=O)O)c2C)cc1 2526097 LIBUPUMSZIBUPT-UHFFFAOYSA-N 325.795 5.179 0 50 EKAA CC(C)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 2774533 KGUSNOQZSFSLPE-UHFFFAOYSA-N 331.415 5.855 0 50 EKAA C[C@@H](Sc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2965791 STSATNXLRJYRIC-SNVBAGLBSA-N 326.248 5.113 0 50 EKAA COc1cc(C)ccc1OCCCOc1cccc(Cl)c1Cl 2985422 PWHCTSMVIWZSSF-UHFFFAOYSA-N 341.234 5.158 0 50 EKAA CCc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 197193478 WYKHZCQTFQGUQH-KHDMTIDOSA-N 347.458 5.244 0 50 EKAA CCCc1ccc(-n2c(-c3cccs3)ccc2-c2cccs2)cc1 953018006 JFTYJFYWQQLLFG-UHFFFAOYSA-N 349.524 6.887 0 50 EKAA in-vitro Cc1c(NC(=O)CC(C)C)cccc1-c1nc2cc(Cl)ccc2o1 317451 UMVNWAMWJRSFDL-UHFFFAOYSA-N 342.826 5.441 0 50 EKAA O=C1C[C@@H](c2c(F)cccc2Cl)c2c(ccc3ccccc23)N1 475328 JLSBGLCGMJLBHS-CYBMUJFWSA-N 325.770 5.106 0 50 EKAA Cc1cc(C)cc(-n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)c1 610129 SOPNFUQINHXDMH-UHFFFAOYSA-N 337.492 5.137 0 50 EKAA Cc1cccc(OCCCCCCOc2cccc(C)c2C)c1C 2880446 GUIXFJFUSKLLRB-UHFFFAOYSA-N 326.480 5.938 0 50 EKAA C[C@@H]1CCc2c(nc(-c3ccc(F)cc3)nc2-c2ccc(F)cc2)C1 3091425 BWDXNAQNELIPLZ-CYBMUJFWSA-N 336.385 5.214 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 64985065 AJGMLTFVEQRTSG-MRXNPFEDSA-N 347.846 5.129 0 50 EKAA CCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(F)cc1 71376196 UZIIWHQIUYBZKU-UHFFFAOYSA-N 331.394 5.073 0 50 EKAA c1ccc2cc(CN3CCN4CCC[C@@H]4[C@H]3C3CCCCC3)ccc2c1 101646075 IKAFQONNWBCPOP-DNQXCXABSA-N 348.534 5.069 0 50 EKAA Cc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cs1 467549 PFFCSPXYMDDBBT-UHFFFAOYSA-N 342.851 5.333 0 50 EKAA Clc1ccccc1-c1noc(-c2ccc(-c3ccccc3)cc2)n1 2058485 LWFXZPVADXMVBD-UHFFFAOYSA-N 332.790 5.724 0 50 EKAA Cc1ccccc1OCCn1c(/C=C/c2ccco2)nc2ccccc21 4846070 NNPNYHRCIBFGEQ-OUKQBFOZSA-N 344.414 5.187 0 50 EKAA CC[C@H](NC(=O)Nc1ccc(C)c(F)c1)C12CC3CC(CC(C3)C1)C2 13320288 KLTLEARHVXFVBC-IXYLRAAXSA-N 344.474 5.251 0 50 EKAA COc1cccc2c(C)cc(NCc3cccc(C(F)(F)F)c3)nc12 16667877 OWYJLULZWZMQKG-UHFFFAOYSA-N 346.352 5.183 0 50 EKAA CC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCC(=O)O 38224013 DCFKVKFLEPMEGT-VABGYXHOSA-N 344.495 5.760 0 50 EKAA in-vitro CCCCCn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 40435280 ZAOKDVBETBFRSN-UHFFFAOYSA-N 341.454 6.216 0 50 EKAA in-vitro C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccs2)no1 1420995 ADKSLTRGNWQWMR-QMMMGPOBSA-N 341.219 5.245 0 50 EKAA S=c1[nH]nc(C(c2ccccc2)c2ccccc2)n1-c1ccccc1 5616732 WJNICDHVYNKHGQ-UHFFFAOYSA-N 343.455 5.110 0 50 EKAA CCN(CC)C(=O)c1csc(-c2ccccc2)c1-c1ccccc1 245901 ITZRIMFKYHYXHJ-UHFFFAOYSA-N 335.472 5.564 0 50 EKAA CC(C)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 469820 SBCLSCOTKRBFLI-UHFFFAOYSA-N 333.884 5.584 0 50 EKAA CCC(CC)C(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1 616061 MDDBAIVOBWGRJT-UHFFFAOYSA-N 349.434 5.087 0 50 EKAA CC(C)c1ccccc1OCC(=O)Oc1ccc(-c2ccccc2)cc1 1916505 IWRGQYICQNIZNZ-UHFFFAOYSA-N 346.426 5.461 0 50 EKAA CC(=O)Nc1ccc(-c2csc(Nc3ccc(C)cc3C)n2)cc1 2861634 BOPQOTUZOUHDGZ-UHFFFAOYSA-N 337.448 5.129 0 50 EKAA O=Cc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1 136851026 PZGDADLUMXWQRV-UHFFFAOYSA-N 346.007 5.361 0 50 EKAA Cc1c(OCc2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 45183 WDTUPXFQLJNPKD-UHFFFAOYSA-N 342.394 5.347 0 50 EKAA COc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 98828 IKWHNZAEDAHHFH-UHFFFAOYSA-N 342.398 5.406 0 50 EKAA CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1ccccc1 499908 HPFTYYCDWPULHF-OAHLLOKOSA-N 338.451 5.410 0 50 EKAA Clc1ccc(C2=N[C@H](c3ccccc3)N3[C@H]2[C@H]3c2ccccc2)cc1 254507774 JTMWJVWEVLMMNX-YRRIFNBVSA-N 344.845 5.267 0 50 EKAA COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc12 135218 IRQBPTUNDXAYGN-UHFFFAOYSA-N 345.320 5.120 0 50 EKAA CC(=O)c1c(C)nc2ccc(OC(F)(F)F)cc2c1-c1ccccc1 352363 BERKUABFDUMHGM-UHFFFAOYSA-N 345.320 5.311 0 50 EKAA CCn1c(C)c(C)c2cc(C(=O)Nc3cccc(Cl)c3)ccc21 355846 YEBJORXVFXPHMI-UHFFFAOYSA-N 326.827 5.184 0 50 EKAA aggregator c1cc2c3c(cccc3c1)[C@@H]1C[C@@H]3c4cccc5cccc(c45)[C@@H]3C[C@H]21 2173596 UFWHXJPHNAASJP-NVPYSNMXSA-N 332.446 6.849 0 50 EKAA COc1cc(C)ccc1OCCCCOc1c(C)ccc(C)c1C 2987103 FYSXKMXFDITJFG-UHFFFAOYSA-N 328.452 5.167 0 50 EKAA Cc1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)nc(N)n1 71978167 YRZQHZILORKNPM-UHFFFAOYSA-N 337.426 5.368 0 50 EKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=C(F)C[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 254756912 NQPNKHPRIRGDJL-YBCKDWFCSA-N 334.475 5.568 0 50 EKAA C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 91331 SSSGJHLVROVTDO-MFKMUULPSA-N 338.234 5.281 0 50 EKAA O=C(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 126148 KJRVVVBNFKCBFP-UHFFFAOYSA-N 335.834 5.183 0 50 EKAA Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 303152 CJBQJNOYZZHVNY-UHFFFAOYSA-N 349.044 5.861 0 50 EKAA COc1cccc(OCCCCOc2cccc(Cl)c2Cl)c1 2904466 KVRJAVOOMBBJDA-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA CCCOc1c(Cl)cc(-c2nc3ccccc3s2)cc1OC 4808281 ZIIGTXKTRBXONG-UHFFFAOYSA-N 333.840 5.414 0 50 EKAA Cc1c(C(=O)Nc2ccc3c(c2)oc2ccccc23)oc2ccccc12 5101461 YMDGRICTXJZTCN-UHFFFAOYSA-N 341.366 5.893 0 50 EKAA Cc1cccc(-c2noc(C(c3ccccc3)c3ccccc3)n2)c1 5102273 GTPUNTYTCSHCMI-UHFFFAOYSA-N 326.399 5.225 0 50 EKAA CC(C)(C)c1cc(-c2ccc(C(N)=O)cc2)cc(C(C)(C)C)[s+]1 5284233 TVDJSNLTLUOONJ-UHFFFAOYSA-O 328.501 5.390 0 50 EKAA c1ccc(-c2cc(-c3ccccc3)[s+]c(-c3cccs3)n2)cc1 5490736 QXWXSFOWJQEADT-UHFFFAOYSA-N 332.473 6.487 0 50 EKAA COc1ccccc1-c1ccnc(N[C@@H]2CCC[C@@H]2CCC(C)C)n1 2325840313 XDYLLJJATPLYRV-SJLPKXTDSA-N 339.483 5.169 0 50 EKAA Cc1cc(O)c(F)cc1NC(=O)c1csc(C2CCCCC2)c1 2325869502 QQAQYMYKXPJYSL-UHFFFAOYSA-N 333.428 5.201 0 50 EKAA CC(C)(C)c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1 117648 GBMBYVYGDFCOAL-UHFFFAOYSA-N 347.212 5.057 0 50 EKAA Cc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1C 618718 SKIANUQTPDEWKV-UHFFFAOYSA-N 325.264 5.419 0 50 EKAA CCn1c2ccccc2c2cc(CNCCc3ccc(F)cc3)ccc21 2738303 LXGDCUZYFQEJGW-UHFFFAOYSA-N 346.449 5.286 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1-c1ccccc1 2845213 KFTMMHJDKRQJKG-UHFFFAOYSA-N 342.225 5.913 0 50 EKAA COc1cc(C)ccc1OCCCCOc1cc(C)ccc1Cl 4702122 UPHFYSYPDPRAGN-UHFFFAOYSA-N 334.843 5.203 0 50 EKAA Fc1cccc(COc2ccccc2-c2nc3ccccc3s2)c1 4807935 KWIIMJFCWPYEGM-UHFFFAOYSA-N 335.403 5.681 0 50 EKAA Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc(-c2ccccc2)cc1 6556406 FQHCMQMJROECIQ-UHFFFAOYSA-N 344.366 5.266 0 50 EKAA O=C(O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 216890267 KGEVPFJPZAXPPX-PKNBQFBNSA-N 338.790 5.170 0 50 EKAA Cc1ccc(NC(=O)[C@@H]2C[C@@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2)cc1 245296035 JRCGHFQHEDWYQX-NNZMDNLPSA-N 329.528 6.058 0 50 EKAA CC[C@@H](C)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409032 UCXNRTLJUOKOCB-LLVKDONJSA-N 337.250 6.151 0 50 EKAA Cc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)c1 444368 JZWKCFDMORYUCF-CSKARUKUSA-N 344.370 5.048 0 50 EKAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 473618 YDDPXVOPNJYTKG-VIFPVBQESA-N 344.625 5.053 0 50 EKAA CCCC[C@@H](CC)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2516868 CEEDFYRUPAWDOU-CHWSQXEVSA-N 347.282 5.520 0 50 EKAA in-vitro CCCCCCc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1 2810876 GABLTDGOSVPYIE-UHFFFAOYSA-N 349.482 5.146 0 50 EKAA Cc1cc(OCCCOc2cccc3cccnc23)ccc1Cl 2986862 ZYLRFSYEYBPJLA-UHFFFAOYSA-N 327.811 5.045 0 50 EKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 4854064 AWUVGJODILTFKA-JTHBVZDNSA-N 346.474 5.445 0 50 EKAA CC[C@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 71746262 DFTLLFXLJMPATM-INIZCTEOSA-N 327.427 5.997 0 50 EKAA in-vitro O=C(c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C1CC1 578858 QQWALRRAXFZOGW-UHFFFAOYSA-N 344.241 5.589 0 50 EKAA Cc1ccc(SCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 1053263 HRMNURKNGKOFKR-UHFFFAOYSA-N 348.471 5.469 0 50 EKAA CCCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 2837708 LBXMRMGOZDZZBR-UHFFFAOYSA-N 333.884 5.162 0 50 EKAA O=C(c1ccccc1)c1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1 6791432 XMHSTOCEECUCDC-UHFFFAOYSA-N 349.393 5.009 0 50 EKAA Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c(Cl)c1 13745054 GKLXFWWUKSCQGL-VIFPVBQESA-N 329.252 5.246 0 50 EKAA C1CCC(C2C[C@@H](C3CCCCC3)N[C@H](C3CCCCC3)C2)CC1 71770682 BOWYTYOCTVPDHY-GOTSBHOMSA-N 331.588 6.464 0 50 EKAA CC(C)NC[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C 253501733 HRROJQJBNRGRQT-QTPSSFORSA-N 347.587 5.148 0 50 EKAA COC(=O)c1occc1/C=C/c1nc2cc(-c3ccccc3)ccc2o1 1875256409 VIPHKDJABKSCBR-CSKARUKUSA-N 345.354 5.045 0 50 EKAA O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2N1 109997 QGLWRNJZDVCKRS-KRWDZBQOSA-N 341.332 5.333 0 50 EKAA O=C(Nc1ccccc1Cl)c1c2c(nc3ccccc13)CCCC2 307747 RYBBEXBGFVEOFK-UHFFFAOYSA-N 336.822 5.019 0 50 EKAA Cc1cc(C)cc(NC(=O)N2c3ccccc3Sc3ccccc32)c1 318304 HEXOWCKQAFYUKC-UHFFFAOYSA-N 346.455 6.138 0 50 EKAA COc1ccc2cc([C@@H](C)c3nc4ccccc4n3C(C)C)ccc2c1 561759 DGTZMHNHMVULPH-MRXNPFEDSA-N 344.458 5.931 0 50 EKAA CCc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 1152763 PMCRSVSGOPWFQO-UHFFFAOYSA-N 347.483 5.794 0 50 EKAA COc1ccc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1 13320077 FMXOMIMHKGACAJ-UHFFFAOYSA-N 332.831 5.290 0 50 EKAA S=C(NCc1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1 13325905 GDNOZKQDGVDQGK-UHFFFAOYSA-N 345.682 5.133 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC 25722131 PTFHIRHGARALFY-JEBPEJKESA-N 344.539 6.861 0 50 EKAA in-vitro CCCCCCc1ccc(-c2nc(C3(N)CCCC3)sc2C)cc1 1875357276 ZGLXFZBDZCOSHW-UHFFFAOYSA-N 342.552 5.969 0 50 EKAA CCc1ccc2ccccc2c1COC(=O)c1cc2sccc2[nH]1 2325874329 IPLULXMUWCPSQE-UHFFFAOYSA-N 335.428 5.302 0 50 EKAA Cc1csc2n1c(C)c(-c1ccccc1)[n+]2-c1ccc(Cl)cc1 389462 SQZQEMSLJNMKFM-UHFFFAOYSA-N 339.871 5.215 0 50 EKAA O=C(COc1ccc2ccccc2c1)Nc1cc(Cl)ccc1Cl 449323 SNANJJUWPVCQSA-UHFFFAOYSA-N 346.213 5.164 0 50 EKAA CCCc1cc(=O)oc2c(C)c(OCc3ccccc3Cl)ccc12 454899 UMFOOHTZYQNEDQ-UHFFFAOYSA-N 342.822 5.286 0 50 EKAA CSc1ccc2nc(N[C@@H](C)CCCC(C)(C)O)cc(C)c2c1 758755 BKRRTZFNAZVPRT-AWEZNQCLSA-N 332.513 5.007 0 50 EKAA c1ccc2c(c1)c1ccccc1n2-n1c2ccccc2c2ccccc21 1874687 WYGGOFSDWWYNJD-UHFFFAOYSA-N 332.406 6.214 0 50 EKAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 2531730 LWYGVVBPSFBQDX-UHFFFAOYSA-N 345.773 5.090 0 50 EKAA CCCCN(Cc1ccccc1)Cc1cccc(Oc2ccccc2)c1 4987636 MKUATVZWQDHCIA-UHFFFAOYSA-N 345.486 6.281 0 50 EKAA CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257346163 STKWRJUKSJWSDX-ORCBZOGNSA-N 346.555 5.987 0 50 EKAA CCC[C@@H](N[C@H](C)c1ccccc1)c1ccc(Oc2ccccc2)cc1 2325822180 HFJNLNSSJQACJC-NTKDMRAZSA-N 345.486 6.671 0 50 EKAA Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1 444662 JBCMRXKNWMJKBC-PKNBQFBNSA-N 344.370 5.048 0 50 EKAA CCc1ccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)cc1 2216808 GTKGOKROZHUHTJ-UHFFFAOYSA-N 328.419 5.011 0 50 EKAA O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc2c1CCCC2 4699005 FASGWBVPCABZRT-UHFFFAOYSA-N 341.454 5.414 0 50 EKAA Cc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc1 4956922 UBQZQMSOJJHAPS-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA CCOC(=O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C)o1 5017726 FBUVBWQELKTADN-UHFFFAOYSA-N 336.387 5.011 0 50 EKAA Cc1cccc(-c2nc(N(C)Cc3ccccc3)c3ccccc3n2)c1 1775576 UKCKRCSTSFFUFW-UHFFFAOYSA-N 339.442 5.242 0 50 EKAA CC(C)(C)c1ccc(OCCSc2nc3ccccc3[nH]2)cc1 2984920 WLBGEAAHKRWDNM-UHFFFAOYSA-N 326.465 5.032 0 50 EKAA CC(C)CCC[C@@H](C)NC(=O)C1c2ccccc2Oc2ccccc21 2988216 BVIIVHJUQNUCQA-MRXNPFEDSA-N 337.463 5.255 0 50 EKAA C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 19851448 HZJRRCMQPKSHRC-FRVJLOGJSA-N 348.273 5.220 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1F 36620563 DIBWTKQWTVADNT-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA c1ccc(-c2ccc(CN[C@@H]3CCCSc4ccccc43)o2)cc1 2325878178 HBSCTMUCBQHNBC-LJQANCHMSA-N 335.472 5.663 0 50 EKAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1csc2ccccc12 371927 LQAPDEWEHGIOSJ-GFCCVEGCSA-N 325.408 5.022 0 50 EKAA Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 444954 PXEKUNIXFQADQW-ZHACJKMWSA-N 348.471 5.003 0 50 EKAA CCN(CC)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 450129 VSCDVKZZOYSRCM-UHFFFAOYSA-N 337.250 5.092 0 50 EKAA Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 477285 FPEKTJCNGNXAKO-UHFFFAOYSA-N 325.795 5.469 0 50 EKAA CC[C@@H](C)c1ccccc1OCCn1c2ccccc2c2ccccc21 2992052 PGDUKUHRTBJMDH-GOSISDBHSA-N 343.470 6.387 0 50 EKAA CCc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 4542038 QNQKOKRWMCJFDL-UHFFFAOYSA-N 325.795 5.415 0 50 EKAA CC[C@@H](C)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859514 VPSRJWNBSBKXAR-QGZVFWFLSA-N 341.454 6.072 0 50 EKAA in-vitro CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NCCO 150374834 LGEQQWMQCRIYKG-LIJGZOPESA-N 347.543 5.241 0 50 EKAA in-vitro O=C(c1ccccc1Cl)N(Cc1ccccc1)Cc1ccccc1 126111 XHXZSXJNPDBFEP-UHFFFAOYSA-N 335.834 5.183 0 50 EKAA Cc1cccc(Cl)c1NC(=O)Nc1cccc(Cl)c1Cl 398102 LSQAMMGXFGPJQJ-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA Cc1ccc(C)c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 441728 UQAXPIUWSSOZOI-NRFANRHFSA-N 347.483 5.776 0 50 EKAA COc1cccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)c1 482312 UJIMHSDQIFLIDG-UHFFFAOYSA-N 333.387 5.048 0 50 EKAA c1ccc(C(=C2c3ccccc3-c3ccccc32)c2ccccc2)cc1 1676166 CGUOPWAERAISDV-UHFFFAOYSA-N 330.430 6.674 0 50 EKAA biogenic Cc1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1C 1803391 HJBLFXBTUGSOJT-UHFFFAOYSA-N 344.389 5.845 0 50 EKAA Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1 2557949 CEHQLKSLMFIHBF-UHFFFAOYSA-N 331.806 5.694 0 50 EKAA in-vitro CCc1ccc2c(Cl)c(C(=O)Nc3nc(C)cs3)sc2c1 16603433 JBSKERLDQHTERB-UHFFFAOYSA-N 336.869 5.134 0 50 EKAA Cc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)cc1 36352117 VBRKHYVVZHWUSP-GGAORHGYSA-N 340.426 5.237 0 50 EKAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(C)c1C 71918 UHNCDOWYMACXHP-UHFFFAOYSA-N 348.446 5.389 0 50 EKAA C[C@H]1CC2=C(C[C@H]1COC(=O)Nc1ccccc1)C(C)(C)CCC2 210874 KAQLIWBOUVGKDQ-RDJZCZTQSA-N 327.468 5.788 0 50 EKAA biogenic COc1ccc(Oc2nc(-c3cccc(C)c3)nc3ccccc23)cc1 453086 ZVFFWSUXRKRNMY-UHFFFAOYSA-N 342.398 5.406 0 50 EKAA Cc1cc(C)c(NC(=O)/C=C/c2ccc(Br)cc2)c(C)c1 473812 NJENCVSBPLKFQZ-RMKNXTFCSA-N 344.252 5.026 0 50 EKAA c1ccc(-c2ccc(CN3CCCC[C@H]3c3cccnc3)cc2)cc1 22023277 MOWJGJZAVBWWCR-QHCPKHFHSA-N 328.459 5.476 0 50 EKAA CCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 55433694 MZWDNWGOALGHNY-FUPPJEDESA-N 335.491 5.570 0 50 EKAA O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 1216638 NLTSTDRDPDPXOZ-UHFFFAOYSA-N 344.439 5.145 0 50 EKAA COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 1748766 STFRNQJMPQIRPD-UHFFFAOYSA-N 345.829 6.231 0 50 EKAA CC(C)c1cc(Nc2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1 23114909 VQXVNWXNYYOFBX-UHFFFAOYSA-N 346.409 5.402 0 50 EKAA CC1(C)C(Cn2ccnc2-c2ccc([C@@H]3CCCCO3)o2)C1(C)C 1857675234 OVZLJKHYUNYGPG-AWEZNQCLSA-N 328.456 5.067 0 50 EKAA CCc1cc(=O)oc2c(C)c3occ(-c4cccc(OC)c4)c3cc12 95350 OTXATDNADGAWAJ-UHFFFAOYSA-N 334.371 5.086 0 50 EKAA biogenic Cc1ccc(Cl)cc1N[P@](C)(=O)Oc1ccc(Cl)cc1 275315 MWVJJSRZSJHYEQ-HXUWFJFHSA-N 330.151 5.616 0 50 EKAA O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc2ccccc12 355607 BSOFRRGVKLBUBY-UHFFFAOYSA-N 345.229 5.468 0 50 EKAA CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12 1999256 IUWKNLFTJBHTSD-AANPDWTMSA-N 328.496 5.347 0 50 EKAA biogenic,world Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 2596077 MMCIGHXORVZYKJ-UHFFFAOYSA-N 331.843 5.098 0 50 EKAA CCOc1ccccc1OCCCOc1ccc([C@H](C)CC)cc1 2983665 OUGYRJCOUODEGS-QGZVFWFLSA-N 328.452 5.447 0 50 EKAA CCOc1ccc(OCCCCSc2ccc(Cl)cc2)cc1 2983839 VXTLUIDDFNLIHG-UHFFFAOYSA-N 336.884 5.690 0 50 EKAA CCOc1ccccc1OCCCOc1cccc(Cl)c1Cl 2991193 ZLONGGVVHSTWNN-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1Cl 36620629 BAQJLMAMTMZAEY-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA CCCCCC[C@@H]1CC(=O)c2ccccc2N1C(=O)OC(C)(C)C 725325706 SWDDPDJTKZTEEB-OAHLLOKOSA-N 331.456 5.354 0 50 EKAA Cc1nc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)cs1 169503 SPLKLRPAIYMZMW-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA CCc1cccc(CC)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 619958 CQZFLXMZBJAEKX-UHFFFAOYSA-N 345.870 5.261 0 50 EKAA CCOc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1 2162206 XLJUBHLUQKVFTI-UHFFFAOYSA-N 326.395 5.219 0 50 EKAA CCCCOc1ccccc1[C@H]1CC(=O)Nc2ccc3ccccc3c21 2877175 DWLFIPYTSGHERK-LJQANCHMSA-N 345.442 5.493 0 50 EKAA CCc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 2999686 JLSRQVLAGRTTGF-UHFFFAOYSA-N 339.822 5.723 0 50 EKAA CC(=O)c1c(C(C)=O)c(C)n(C(c2ccccc2)c2ccccc2)c1C 4821473 QNQSCWZUIJFNKL-UHFFFAOYSA-N 345.442 5.148 0 50 EKAA CC1(C)C[C@@H](c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)O)cc21 112990881 MCYNICKTSTXAFH-INIZCTEOSA-N 333.790 5.012 0 50 EKAA Brc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1 220545977 YYFFCVUNTHMFNE-UHFFFAOYSA-N 341.204 6.034 0 50 EKAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1SC(F)(F)F 295283 VIRKJZATVKYXLX-UHFFFAOYSA-N 346.761 5.596 0 50 EKAA O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccco1 387105 PUHVOLNAUUHQEW-UHFFFAOYSA-N 346.411 5.322 0 50 EKAA Cc1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 441521 ABARKDQWFLYYPX-HXUWFJFHSA-N 333.456 5.467 0 50 EKAA CCCc1sc(NC(=O)c2ccccc2)nc1-c1ccc(F)cc1 451136 MQGFBYSKSLRAFN-UHFFFAOYSA-N 340.423 5.154 0 50 EKAA C/C=C/c1c(F)c(F)c(Oc2ccc(C)cc2OC)c(F)c1F 471468 YTVIRDOFKDRJJZ-SNAWJCMRSA-N 326.289 5.385 0 50 EKAA CC(C)(C)c1ccc(OCCn2cnc3ccccc32)c(Cl)c1 527825 HRIJMWUHTMSOJQ-UHFFFAOYSA-N 328.843 5.066 0 50 EKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CCCCC1 2327228 QTVATXIFPTZONK-UHFFFAOYSA-N 344.458 5.273 0 50 EKAA Cc1ccc2cccc(OCCCCOc3c(C)cccc3C)c2n1 2822824 ZKSZPLIOYKJOPJ-UHFFFAOYSA-N 335.447 5.398 0 50 EKAA Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4257775 FLLMUYQTLMOVFC-JTHBVZDNSA-N 340.426 5.237 0 50 EKAA Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)c3ccco3)cc2)c1 4593081 HJGRERWLLGJDHQ-UHFFFAOYSA-N 335.403 5.756 0 50 EKAA CC(C)CCCCCOP(Oc1ccccc1)Oc1ccccc1 34296047 YEQHNTCMAVPEKP-UHFFFAOYSA-N 346.407 6.604 0 50 EKAA O=C(Nc1nc2ccccc2s1)c1sc2ccccc2c1Cl 133663 YOYPBQIYPQJMRP-UHFFFAOYSA-N 344.848 5.417 0 50 EKAA Cc1cc(-c2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 205082 FYJLGLXCRCDJHS-UHFFFAOYSA-N 333.822 5.334 0 50 EKAA O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 5267178 BCXPNUSETAZHEQ-UHFFFAOYSA-N 340.382 5.109 0 50 EKAA Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 13129743 HLKACVLWVUPWAY-UHFFFAOYSA-N 349.437 6.200 0 50 EKAA C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 13330007 QFMRRTDCHYQERC-SECBINFHSA-N 343.641 5.530 0 50 EKAA COc1ccc(-c2c(-c3ccc(OC)cc3)n(C)c3ccccc23)cc1 38962246 KMIVTEGYXPKKPK-UHFFFAOYSA-N 343.426 5.530 0 50 EKAA OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccccc2)c2ccccc21 100369154 JCQXDZORMHGERU-JOCHJYFZSA-N 341.435 5.937 0 50 EKAA COc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c1 170912 DEWTVFSUPCIDKR-UHFFFAOYSA-N 341.794 5.169 0 50 EKAA CN(c1ccccc1)c1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1 2914896 KOCNKHKWWWBFQD-OAQYLSRUSA-N 345.471 5.151 0 50 EKAA COc1ccc(-c2ccccc2)cc1NCCC1=C(C)CCCC1(C)C 4980317 JDZMPMHWACFTQD-UHFFFAOYSA-N 349.518 6.691 0 50 EKAA Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1C 36620695 VQMKAIKDIHZICU-GOSISDBHSA-N 328.843 5.326 0 50 EKAA Cc1ccc(-c2nc(Nc3ccccc3O)nc3ccccc23)cc1 170612595 XFYYAYZJEBGNQM-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Cl)cnc21 202336051 PRIGTJISWGKBPL-UHFFFAOYSA-N 326.919 5.852 0 50 EKAA C[C@]12CC[C@@]3(CS3)C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 253499785 NHSADEZTTCEMTD-JRRMKBMNSA-N 334.569 5.266 0 50 EKAA biogenic CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1 1886965 HTNVFUBCWIYPJN-HSZRJFAPSA-N 331.459 6.540 0 50 EKAA endogenous,in-man CCc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 2810651 YWYYGQHQYQVWQX-QFIPXVFZSA-N 341.454 5.194 0 50 EKAA O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1Cl 3464643 SSKOGAKJBLKNOM-UHFFFAOYSA-N 343.209 5.880 0 50 EKAA CCCCCC1CCC(c2nnc(S)n2-c2ccccc2)CC1 4052846 RZCSFIQZTKEWCK-UHFFFAOYSA-N 329.513 5.410 0 50 EKAA CC[C@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)c1ccccc1 4810586 PIHMBQLOAGWUJZ-SFHVURJKSA-N 336.460 5.251 0 50 EKAA c1cncc(-c2nc(Oc3ccc4ccccc4c3)c3ccccc3n2)c1 102691 PTKKEZOSKKZGGM-UHFFFAOYSA-N 349.393 5.637 0 50 EKAA S=c1nc(-c2ccccc2)n(Cc2ccccc2)c2c1CCCC2 134721 VGGMYZQCWLEYNX-UHFFFAOYSA-N 332.472 5.207 0 50 EKAA CC(C)(C)c1cc(Br)c(C(C)(C)C)cc1Br 2024078 QRONMIVHPIBNGK-UHFFFAOYSA-N 348.122 5.807 0 50 EKAA Cc1cccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1 2395211 RHAMMWQEQROECZ-UHFFFAOYSA-N 328.419 5.065 0 50 EKAA CCc1cccc(CC)c1NC(=O)c1ccc(-c2ccccc2)cc1 2951504 JFTXOKYQHGJKPK-UHFFFAOYSA-N 329.443 5.731 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Oc1ccc(Cl)c2cccnc12 396552 WETZSCSABWNGOR-UHFFFAOYSA-N 333.174 5.153 0 50 EKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1C[C@@H]1c1ccccc1 476216 OUDZZEPJMZRYDF-GHMZBOCLSA-N 340.637 5.389 0 50 EKAA CC(C)=CCC[C@H](C)CCN1CCN(c2cccc(Cl)c2)CC1 2494713 HMJREHKHXDHXIL-SFHVURJKSA-N 334.935 5.235 0 50 EKAA COc1ccccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1 3083172 YICDWOCYSRQDLC-UHFFFAOYSA-N 337.422 6.091 0 50 EKAA CCOc1ccccc1NC(=O)c1sc2ccccc2c1Cl 318238 NDIXQHGAQBDYEK-UHFFFAOYSA-N 331.824 5.206 0 50 EKAA Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Br 1062258 GKAXLCAGRHOSSU-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA CN(C)c1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C 2581131 PHLPNEHPCYZBNZ-UHFFFAOYSA-N 341.479 6.124 0 50 EKAA Fc1ccc(-c2cc(C(F)F)c3c(-c4ccccc4)noc3n2)cc1 20605560 ULUJGBOSWMNARN-UHFFFAOYSA-N 340.304 5.634 0 50 EKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(F)c(F)c3)CC2)CC1 604220768 FQZFDALKYRQQTE-VYUAXZJKSA-N 348.521 7.310 0 50 EKAA in-vitro CCC[C@@H](NCC[C@H](O)CC)c1ccc(Oc2ccccc2)cc1 2325822462 YQOLQDDCYVLWOP-WIYYLYMNSA-N 327.468 5.071 0 50 EKAA COc1ccc(C)cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 145198 GEDFNQURZOGFLZ-CAPFRKAQSA-N 343.426 5.183 0 50 EKAA Cc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(Cl)cc1Cl 401701 PTMPNCMVJZCQDM-UHFFFAOYSA-N 349.044 5.861 0 50 EKAA Cc1cc(C)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(=O)O)c2c1 1009118 BMJKKFGMGJSZMK-UHFFFAOYSA-N 346.213 5.524 0 50 EKAA CCC[N+](CCC)=c1cc(-c2ccccc2)sc(-c2ccccc2)c1 5591214 VGOFZCZXSIZCDB-UHFFFAOYSA-N 348.535 5.674 0 50 EKAA CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 312768 HNWJLBOXZYWGBE-FQEVSTJZSA-N 346.455 5.180 0 50 EKAA CCc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 441647 DIZJWRDDQLNSFD-NRFANRHFSA-N 347.483 5.721 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1 449853 ZCAUTKIKWDQSIF-ZDUSSCGKSA-N 329.465 5.183 0 50 EKAA Cc1ccc2nc(NCc3ccccc3)nc(-c3ccccc3)c2c1 552026 WJBZXDOIYWYBPT-UHFFFAOYSA-N 325.415 5.217 0 50 EKAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 858871 HFOBDAMSBNCSFW-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA CC[C@H](C)c1ccccc1OCCn1c2ccccc2c2ccccc21 2992053 PGDUKUHRTBJMDH-SFHVURJKSA-N 343.470 6.387 0 50 EKAA Cc1ccc(C2=NN(c3ccc(C=O)cc3)[C@@H](c3ccccc3)C2)cc1 4088208 UOQNRDFUPLYMMC-HSZRJFAPSA-N 340.426 5.163 0 50 EKAA CC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 5758645 JIGCTXHIECXYRJ-ILWBRPEASA-N 338.576 6.935 0 50 EKAA endogenous,in-man CCCCN(CCCC)C(=S)Nc1cc(Cl)cc(Cl)c1 17068528 VEIDBZQIMBDRLM-UHFFFAOYSA-N 333.328 5.592 0 50 EKAA C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 101651906 HZJRRCMQPKSHRC-KZBLUPIWSA-N 348.273 5.220 0 50 EKAA Cc1[nH]c(-c2ccc(-c3ccc(O)cc3F)o2)nc1-c1ccccc1 1875365402 CDHQNOAGYULGNM-UHFFFAOYSA-N 334.350 5.157 0 50 EKAA Cc1c(Cl)cccc1NC(=O)C(c1ccccc1)c1ccccc1 241230 AFSIUSQSNRKECR-UHFFFAOYSA-N 335.834 5.419 0 50 EKAA Cc1c(Cl)cccc1NC(=O)CSc1ccc(Cl)cc1 343149 XDODBMXUNTZULT-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA CCCC(C[C@H]1CC2CCN1CC2)(c1ccccc1)c1ccccc1 71770741 SGXVRWUBWMJFOV-HSZRJFAPSA-N 333.519 5.647 0 50 EKAA C[C@@H]1C[C@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1 81312 IUCCFZPZAWERPQ-BEFAXECRSA-N 348.471 5.340 0 50 EKAA Cc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1C 310078 UQWUGBWFWCEOMT-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 451300 JFXBUKKEJGLCCO-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC 3875586 KCXZNSGUUQJJTR-UHFFFAOYSA-N 334.456 5.161 0 50 EKAA biogenic,in-vitro C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 19851456 HZJRRCMQPKSHRC-FVEFGIFQSA-N 348.273 5.220 0 50 EKAA CCc1cc(C(=O)N[C@@H](CC)c2ccc([C@@H](C)CC)cc2)cs1 20607065 VAXFPBQRSMBKSV-LIRRHRJNSA-N 329.509 5.705 0 50 EKAA C/C(=C\C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)C1CC1 222116930 TXPOXJXYOWZETE-DRUFCSCSSA-N 343.829 5.041 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCC(=O)O 1775964681 MBMBGCFOFBJSGT-BQGMABQGSA-N 328.496 6.549 0 50 EKAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc2ccccc12 474777 FSMQSTGOFFLCCZ-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA Cc1cccc(C)c1OCC(=O)Nc1ccc(Nc2ccccc2)cc1 587174 OYPZCIHYHIKRJL-UHFFFAOYSA-N 346.430 5.065 0 50 EKAA Cc1ccc2oc3c(c2c1)-c1oc(C)cc1[C@](C)(c1ccccc1)CC3 2145002 JCDZFMLDAJSHDK-DEOSSOPVSA-N 342.438 6.562 0 50 EKAA biogenic C[C@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@@H]3[C@@H]21 16134029 MULDAFDMOJEJEP-HVJVJISESA-N 336.475 5.382 0 50 EKAA biogenic CCCCCc1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1 22002062 VWDNHTVWLXZZEK-UHFFFAOYSA-N 338.491 6.371 0 50 EKAA in-vitro C[Si](C)(C)CCSCc1cc(Br)ccc1Cl 725244843 BOQRKSHWYCYTBB-UHFFFAOYSA-N 337.786 5.674 0 50 EKAA CN(Cc1nc2ccccc2s1)c1ncc(-c2ccccc2)s1 1875288890 IZAMJFXXKMDSOL-UHFFFAOYSA-N 337.473 5.056 0 50 EKAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Cl)c1 193674 XSVSLWGWGXMXCS-UHFFFAOYSA-N 349.242 5.369 0 50 EKAA Cc1ccc(-c2c(CC[C@](C)(O)c3ccccc3)oc3ccccc23)o1 377534 KDYWFGXVIUEVDN-QHCPKHFHSA-N 346.426 5.842 0 50 EKAA biogenic C[C@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1 529013 LJXKTONKXSUFPQ-IRXDYDNUSA-N 344.458 5.020 0 50 EKAA CCC[C@H](C)NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 1050407 AUQXBBTVTBSCBR-INIZCTEOSA-N 327.493 5.206 0 50 EKAA Cc1ccc(NC(=O)CSc2ccc(Cl)cc2Cl)cc1 2670046 KYCSAUUPMMUYQL-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA CC(C)C[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 5164993 MUSFHKHRDRKTKH-ICSRJNTNSA-N 340.854 5.256 0 50 EKAA CC(C)Oc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 5911116 YKTBWWOABKBHLQ-UHFFFAOYSA-N 341.794 5.041 0 50 EKAA CCC[C@H](N[C@@H]1CSC[C@@H]1C)c1ccc(Oc2ccccc2)cc1 2325822102 DAPKYTZETSLJCQ-ORYQWCPZSA-N 341.520 5.661 0 50 EKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1scc2c1CCCC2 90903 FSQYITCFWVLCBI-UHFFFAOYSA-N 349.455 5.672 0 50 EKAA CCOc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1 303640 CICAOVOSYCHEBU-UHFFFAOYSA-N 341.414 5.000 0 50 EKAA Cc1cccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c1C 461028 AQCMPHZLEAIYLP-UHFFFAOYSA-N 346.430 5.065 0 50 EKAA COc1ccccc1Oc1ccc(NC(=O)c2ccccc2C)cc1 464953 LZAMSWXEMVNNCB-UHFFFAOYSA-N 333.387 5.048 0 50 EKAA Brc1ccc2c(c1)Oc1ccc(Br)cc1O2 2007577 FPZRQZSGNKQNMF-UHFFFAOYSA-N 341.986 5.110 0 50 EKAA CCC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 4522629 YARBFYRWDBILJF-UHFFFAOYSA-N 345.398 5.616 0 50 EKAA CC(C)CN(CC(C)C)C(=S)Nc1cc(Cl)cc(Cl)c1 13326495 HNKRMTXGOMZQPF-UHFFFAOYSA-N 333.328 5.304 0 50 EKAA Cc1cc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2cc1C 616856 DEFUXMRYAWRPIG-UHFFFAOYSA-N 347.336 5.629 0 50 EKAA O=C(CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1 2594989 XNSUSQOVMAXWQF-UHFFFAOYSA-N 345.423 5.470 0 50 EKAA Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccccc2)c1 2819555 HDCWITXIPVJBIG-UHFFFAOYSA-N 328.459 5.329 0 50 EKAA COc1ccc([C@H]2CC(c3cccs3)=NN2c2ccccc2)cc1 4071838 FETQRPMUEGBANJ-LJQANCHMSA-N 334.444 5.112 0 50 EKAA c1ccc(C2=Nc3ccccc3C(n3cccc3)(n3cccc3)C2)cc1 5736254 ZEGUWXASUICMFY-UHFFFAOYSA-N 337.426 5.064 0 50 EKAA O=C(Nc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 13549450 FUKVIPWUDGTFMX-UHFFFAOYSA-N 329.812 5.108 0 50 EKAA O=C(/C=C/c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 14835438 WVSMTCYOMULRCO-CMDGGOBGSA-N 325.717 5.011 0 50 EKAA O=C(S[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 196201210 NZAXSZBSVIVKJB-FQEVSTJZSA-N 332.424 5.184 0 50 EKAA C[C@H](OC(=O)c1cccc(Cl)c1)c1cc(Br)cs1 2325874694 XLEJDCNNNSKADV-QMMMGPOBSA-N 345.645 5.082 0 50 EKAA COc1cc2ccccc2cc1C(=O)Nc1ccc(C)c(Cl)c1 319099 FIBAWXMSCBEWEW-UHFFFAOYSA-N 325.795 5.063 0 50 EKAA O=C(Nc1ccc(Br)cc1)c1cccc(Cl)c1Cl 452013 YDKQMMXWIMNANI-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA CCOc1ccc2c(c1)C(=O)CC[C@H]2c1ccc(Cl)c(Cl)c1 859774 PUEAGHXEYGPJTP-ZDUSSCGKSA-N 335.230 5.501 0 50 EKAA CCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13616412 BWRCCWGTNWSOQM-MJGOQNOKSA-N 326.827 5.010 0 50 EKAA O=C(CCSc1ccccc1)Nc1ccc(Cl)c(Cl)c1 244289 RHQCVHPHBWAOIP-UHFFFAOYSA-N 326.248 5.114 0 50 EKAA CCOc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 355999 AZVWEZQAAVHCFT-UHFFFAOYSA-N 349.814 5.345 0 50 EKAA C/C=C/c1c(F)c(F)c(Oc2ccc(NC(C)=O)cc2)c(F)c1F 471962 NZGSZCBIHWKRJC-ONEGZZNKSA-N 339.288 5.027 0 50 EKAA Cc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19321698 ZCPNQALQAWTVSS-UHFFFAOYSA-N 342.486 5.012 0 50 EKAA CCC(CC)[C@@H]1Nc2c(C(=O)O)cc(Cl)cc2[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 248154346 CQASREBRZYVQSE-HMQUYODESA-N 347.886 5.398 0 50 EKAA CCOC(=O)c1ccc2nc(C)c(C/C=C(/C)Cl)c(Cl)c2c1 345876 YCPPVOWFLAYTJA-YHYXMXQVSA-N 338.234 5.058 0 50 EKAA Cc1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1 442920 VCWWHPCEPPCBKB-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA CCCCCc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1 2522826 LEJYVZMFIRFBCQ-UHFFFAOYSA-N 340.463 5.817 0 50 EKAA in-vitro CSc1ccc(/C=C2\C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1 3814784 LFWHFZJPXXOYNR-RQZCQDPDSA-N 340.419 5.350 0 50 EKAA world O=C(CSc1cccc2cccnc12)Nc1cccc2ccccc12 71179 IBURSJDDQFPOMO-UHFFFAOYSA-N 344.439 5.119 0 50 EKAA O=C(Nc1ccc(F)cc1)c1sc2cccc(Cl)c2c1Cl 355208 MIWKVVHINOUHOI-UHFFFAOYSA-N 340.206 5.600 0 50 EKAA COc1cc(OC)cc(C(=O)NC2CCCCCCCCCCC2)c1 4043920 CWKBCTSLEOEJBT-UHFFFAOYSA-N 347.499 5.107 0 50 EKAA CCOC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccc(C)cc12 5672988 STMKZICHMZSYRH-UHFFFAOYSA-N 349.474 5.188 0 50 EKAA Cc1cc(C)c(N2C=[N+](c3c(C(C)C)cccc3C(C)C)CC2)c(C)c1 35942824 CARCZVXQZOXVEI-UHFFFAOYSA-N 349.542 6.051 0 50 EKAA Fc1ccc2oc(CNc3cccc(OC(F)(F)F)c3)cc2c1 1875309523 AQEHXYIGJRXRLA-UHFFFAOYSA-N 325.261 5.083 0 50 EKAA c1ccc(COc2cc3cc[nH]c3cc2OCc2ccccc2)cc1 57277 JEUGWNYIRZKHDS-UHFFFAOYSA-N 329.399 5.326 0 50 EKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccs1 172546 GMJBVPHCCQPBLB-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA Cc1cc(Nc2ccc(Br)cc2)c2ccc(C)c(C)c2n1 183384 SLYACUQQABGWLN-UHFFFAOYSA-N 341.252 5.666 0 50 EKAA Cc1cc(C)cc(O[P@](C)(=O)Nc2cccc(C(F)(F)F)c2)c1 275320 DMJHGQQLPRBRLM-QHCPKHFHSA-N 343.285 5.636 0 50 EKAA CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)cc1 317076 WVYCUQJBGGHNLH-VGOFMYFVSA-N 334.463 5.062 0 50 EKAA CCc1ccc2nc(-c3ccc(C(C)(C)C)cc3)cc(C(=O)O)c2c1 2525943 CYGNEJJFMGIKTL-UHFFFAOYSA-N 333.431 5.460 0 50 EKAA Clc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl 3123642 TZHWGHMDCFAJPT-UHFFFAOYSA-N 329.235 5.716 0 50 EKAA COc1ccc(-c2ccccc2)cc1NCC[C@@H](C)CCC=C(C)C 3681001 AMCHGJHVQGKKRH-IBGZPJMESA-N 337.507 6.547 0 50 EKAA Cc1ccc(-c2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 4743193 RMTAKJLQDWJNIS-UHFFFAOYSA-N 343.839 5.416 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1Br 17071159 BUHQBWNTKJWBGV-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA CCn1ncc2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21 20605882 OXFLPKJFTIBJJV-UHFFFAOYSA-N 341.336 5.290 0 50 EKAA CC[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 227154740 LTFRSZNVHNEGSK-NSHDSACASA-N 340.225 5.056 0 50 EKAA O=C(NC1CCCCCC1)N1c2ccccc2Sc2ccccc21 91257 RWDJVMGSMCBAPN-UHFFFAOYSA-N 338.476 5.722 0 50 EKAA O=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 408603 SFLALGSBILCFLE-UHFFFAOYSA-N 343.641 5.011 0 50 EKAA CCc1ccc2oc(C(=O)Nc3ccc(OC(F)F)cc3)c(C)c2c1 615671 UKTIOURCKSWSRG-UHFFFAOYSA-N 345.345 5.157 0 50 EKAA CSc1cccc(NC(=O)OC2CCCCCCCCCCC2)c1 3954507 SZWOHQOCXPXIKB-UHFFFAOYSA-N 349.540 6.630 0 50 EKAA in-vitro COc1cc(C)ccc1OCCCCOc1ccc2ccccc2c1 4702088 QLGUFQAJRDZCHH-UHFFFAOYSA-N 336.431 5.395 0 50 EKAA CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 9594263 PAQKXWRELLWAAZ-UHFFFAOYSA-N 347.846 5.050 0 50 EKAA c1ccc([C@@H]([C@@H](c2ccccc2)N2CCCCC2)N2CCCCC2)cc1 39426297 MTYFDEYZRYWPAI-PSWAGMNNSA-N 348.534 5.441 0 50 EKAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc2ccccc12 44320 RGRMTRZXDADKBI-CJNGLKHVSA-N 334.246 5.370 0 50 EKAA Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1F 79500 GYQQCSQGFBKAGL-UHFFFAOYSA-N 344.773 5.003 0 50 EKAA O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1 371808 IZWWJRVFQMCOGC-UHFFFAOYSA-N 336.822 5.579 0 50 EKAA C1=C(c2ccc3ccccc3n2)[C@@H](c2ccccc2)c2ccccc2N1 1071898 DZPPRMVJKJMNJX-DEOSSOPVSA-N 334.422 5.833 0 50 EKAA CCCCc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 1808242 TXNNGXUHUUBAGJ-UHFFFAOYSA-N 339.479 5.344 0 50 EKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 2131808 NEPKMQDGCTXOPG-UHFFFAOYSA-N 344.458 5.980 0 50 EKAA CC(C)OC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1N 2387692 KTGPXBGYYGBBJW-UHFFFAOYSA-N 343.492 5.610 0 50 EKAA Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccccc2)cc1 3130509 COHIEOYGUIOOTD-UHFFFAOYSA-N 328.459 5.329 0 50 EKAA S=C(NCCC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1 4452356 RXVAIFGOJOPMFU-UHFFFAOYSA-N 348.943 5.233 0 50 EKAA Cc1ccccc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 4541820 LJEMNJWVWOWLMV-UHFFFAOYSA-N 339.822 5.480 0 50 EKAA Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2C=O)c1 4806799 BTSFIHANBLKOQM-UHFFFAOYSA-N 332.827 5.042 0 50 EKAA Cc1c(Cl)ccc(NC(=O)c2ccccc2C(F)(F)F)c1Cl 4869137 SPMUIJJXDXKMSJ-UHFFFAOYSA-N 348.151 5.573 0 50 EKAA Cc1cc(Nc2ccc(Cl)cc2)n2ncc(-c3ccccc3)c2n1 5562346 SVJUFORQRURFTK-UHFFFAOYSA-N 334.810 5.102 0 50 EKAA CC(C)(C)OC(=O)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12 1565505433 AFXSRNQAVJYCOM-HXUWFJFHSA-N 346.430 5.479 0 50 EKAA CCc1ccc2oc(-c3ccc(C)c(NC(=O)CC(C)C)c3)nc2c1 316727 QDSHTZZZIYIGRW-UHFFFAOYSA-N 336.435 5.350 0 50 EKAA CC(C)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 409651 BFLDLZDUNIXEAZ-UHFFFAOYSA-N 333.229 5.217 0 50 EKAA C/C=C/c1ccc(OCCCOc2cccc3cccnc23)c(OC)c1 2985854 ZPBXUBRKTFJYMQ-XVNBXDOJSA-N 349.430 5.124 0 50 EKAA COc1cc(C=O)ccc1OCc1c(C)cc(C(C)(C)C)cc1C 3260396 GJNINYJLSYBUBO-UHFFFAOYSA-N 326.436 5.001 0 50 EKAA c1ccc2cc(CN3CCN4CCC[C@H]4[C@@H]3C3CCCCC3)ccc2c1 22860953 IKAFQONNWBCPOP-ZEQRLZLVSA-N 348.534 5.069 0 50 EKAA Brc1ccc(C=C(c2ccccc2)c2ccccc2)cc1 66055131 HUCFDUOIMSRYAA-UHFFFAOYSA-N 335.244 6.038 0 50 EKAA in-vitro Brc1ccc(N2c3ccccc3Oc3ccccc32)cc1 145814059 KHHIALZHPCMMMT-UHFFFAOYSA-N 338.204 6.025 0 50 EKAA Cc1cc(Br)ccc1NC(=O)c1cccc2ccccc12 60024 CBDVSSYWLXYMJT-UHFFFAOYSA-N 340.220 5.163 0 50 EKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1Cl 300607 XYRIKJPKFDQBPI-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA Cc1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 447226 RQANUWLMDYLPNW-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA CN(C)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc12 455433 ZLMODEYYGBUDGW-UHFFFAOYSA-N 346.474 5.456 0 50 EKAA Cc1ccc(-n2cc(C=O)c(-c3cc(F)c(Cl)cc3Cl)n2)cc1 732193 KVQSJYWQFRMBBB-UHFFFAOYSA-N 349.192 5.106 0 50 EKAA CC(C)c1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 20550244 CAPJFZDSZDUJRA-GFCCVEGCSA-N 334.822 5.485 0 50 EKAA Cc1nnc(-c2ccccc2-c2ccc([C@@H](C)N3CCCCC3)cc2)o1 65424555 WTDXJBOKYCULOH-MRXNPFEDSA-N 347.462 5.259 0 50 EKAA CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]21C[C@H]1c1ccc(-c2ccccc2)cc1 245255822 LJGRSEJSOKZMJP-HBUYNFGHSA-N 330.471 5.853 0 50 EKAA CCCN(C(=O)c1ccc(-c2cccc(C(C)=O)c2)cc1)C1CCCC1 426712156 OGNVIDURNYBAHW-UHFFFAOYSA-N 349.474 5.351 0 50 EKAA CCOc1ccc2c(c1)Sc1ccccc1N2CCN(CC)CC 114623 AUPBJXMPOWBAKA-UHFFFAOYSA-N 342.508 5.030 0 50 EKAA O=C(Cc1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 172718 LLWWGYKSYQSWDH-UHFFFAOYSA-N 344.439 5.145 0 50 EKAA CCc1cccc(C)c1N(Cc1ccco1)C(=O)CC1CCCCC1 272683 HHXJHAGRLPOGQZ-UHFFFAOYSA-N 339.479 5.654 0 50 EKAA COc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 316776 FWVDBDKGHNEXLP-UHFFFAOYSA-N 348.427 5.530 0 50 EKAA CC[C@H](C)c1ccccc1NC(=S)Nc1ccc(C(C)=O)cc1 611565 VDFSDOGWKZUXOT-ZDUSSCGKSA-N 326.465 5.212 0 50 EKAA Cc1ccc(CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 1778561 GNPPRLVNYMECPH-ZDUSSCGKSA-N 340.517 5.417 0 50 EKAA Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c(C)c1 2924538 NDLNOIRIAZPQAL-UHFFFAOYSA-N 328.868 6.132 0 50 EKAA COc1cc2c(cc1NC(=O)c1cc(C)ccc1C)oc1ccccc12 4722287 FFTHSVAGRGANNP-UHFFFAOYSA-N 345.398 5.464 0 50 EKAA O=C(O)CCCCCCCCCCCCCCCCCCC(=O)O 5178634 JJOJFIHJIRWASH-UHFFFAOYSA-N 342.520 6.177 0 50 EKAA biogenic,in-vitro Cc1cccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)c1 170618442 ROUSKZUNEBVNOI-UHFFFAOYSA-N 329.830 6.531 0 50 EKAA CC(F)(F)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257345908 MVEPLWKMZCHUJS-MYWIEBHBSA-N 338.482 5.870 0 50 EKAA O=C1C[C@H](c2ccc(Cl)cc2Cl)c2ccc3ccccc3c2N1 195052 WMLSPXIMMJVOJB-MRXNPFEDSA-N 342.225 5.621 0 50 EKAA CCCc1cc(=O)oc2cc(OCc3cccc(F)c3)c(Cl)cc12 317557 MLLKRQTVGSNJFS-UHFFFAOYSA-N 346.785 5.117 0 50 EKAA O=C(CCSc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 2531710 WXEQUHAVNIROHE-UHFFFAOYSA-N 329.223 5.498 0 50 EKAA Cc1scc(C(=O)NCc2ccccc2Cl)c1-c1ccccc1 2738220 LCPHBUUAJSUVKJ-UHFFFAOYSA-N 341.863 5.307 0 50 EKAA CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1(C)C 4686581 JWFQFWIVNAVQED-XLIONFOSSA-N 333.431 5.763 0 50 EKAA CCn1ncc2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc21 20615849 WWHLICUNGYABPB-UHFFFAOYSA-N 341.336 5.290 0 50 EKAA Cc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2ccccn2)cc1Cl 91860658 YHMJMKYCEALAOL-QGZVFWFLSA-N 349.261 5.064 0 50 EKAA CCCSc1ccccc1NC(=O)N1CCC[C@@H]1c1nccs1 95510491 DQGOXPNGQUKDIU-CQSZACIVSA-N 347.509 5.014 0 50 EKAA O=C1C[C@H](c2cccc3ccccc23)Sc2nc3ccccc3n21 167102 QIBSBWWAIKHCBA-GOSISDBHSA-N 330.412 5.067 0 50 EKAA O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCCCC1 343170 FIFQKOCFYNTQMY-UHFFFAOYSA-N 345.895 5.258 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2c(O)cccc12 388952 JWJGTRYPQPUQOC-UHFFFAOYSA-N 347.201 5.496 0 50 EKAA Clc1ccc(CSc2nnc(-c3ccccc3Cl)o2)cc1 4842253 IDRBVAHGKBJDFJ-UHFFFAOYSA-N 337.231 5.336 0 50 EKAA COC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2c(C)cccc12 6318546 KIZMNBIFOKYFAS-UHFFFAOYSA-N 333.431 5.294 0 50 EKAA O=C(O)CCCCCCCCCCCCCCCCCC(=O)O 39248691 IFAWYXIHOVRGHQ-UHFFFAOYSA-N 328.493 5.787 0 50 EKAA in-vitro CCCCCCO[C@@H](C)c1cccc(-c2csc(N)n2)c1OC 147181796 VTLKOIONKYXPQL-ZDUSSCGKSA-N 334.485 5.059 0 50 EKAA CC(C)NC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 253531143 HRROJQJBNRGRQT-SQXBVBPSSA-N 347.587 5.148 0 50 EKAA biogenic CC(C)Oc1cccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)c1 2526044 RSGYGZCDHDUTCT-UHFFFAOYSA-N 341.794 5.041 0 50 EKAA CC1(C)COC(c2ccccc2)(c2ccc(Cl)cc2Cl)OC1 3075524 VPIILBDVRYJERZ-UHFFFAOYSA-N 337.246 5.268 0 50 EKAA Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 3807804 VNFPBHJOKIVQEB-UHFFFAOYSA-N 344.845 5.377 0 50 EKAA aggregator,biogenic,fda COc1ccccc1[C@@H](CCN[C@@H](C)c1ccccc1)c1ccco1 4064118 BNUYZJKEVMDDRI-FXAWDEMLSA-N 335.447 5.161 0 50 EKAA biogenic COc1cccc2c(C)cc(NCc3ccc(Cl)c(Cl)c3)nc12 4997013 ZUXAMERZRRSJPC-UHFFFAOYSA-N 347.245 5.471 0 50 EKAA Cc1ccc(OCCCOc2cccc3cccnc23)c(Cl)c1 5750522 HONVEEOZBRDRQJ-UHFFFAOYSA-N 327.811 5.045 0 50 EKAA Cc1cc(NC2CCCCC2)n2ncc(-c3ccccc3Cl)c2n1 23114945 ZFGGKJADZFMZHK-UHFFFAOYSA-N 340.858 5.103 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 64984703 NIACHBWONKMCMZ-INIZCTEOSA-N 347.846 5.129 0 50 EKAA CC(C)NC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 253531142 HRROJQJBNRGRQT-PBJBAIGCSA-N 347.587 5.148 0 50 EKAA biogenic Cc1cccc(CN(C(=O)c2cccn2C2CC2)C2CCCCC2)c1 952963795 KIGVYMLHKZUKGZ-UHFFFAOYSA-N 336.479 5.107 0 50 EKAA CC[C@@H](c1ccncc1)n1ccnc1-c1cccc(CC(F)(F)F)c1 1857692624 MXZFJFVLWXHVOU-KRWDZBQOSA-N 345.368 5.049 0 50 EKAA O=C(NCc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 376371 MZSYYYYNCAEFHO-UHFFFAOYSA-N 330.214 5.077 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)c1ccccc1Br 397973 ANPIQKCKVWGLBA-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Cc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 2865152 QWLDGTZIFLPGMQ-UHFFFAOYSA-N 337.426 5.863 0 50 EKAA Cc1ccc(F)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 13321296 XXJWCUJUSGECJQ-UHFFFAOYSA-N 329.227 5.250 0 50 EKAA Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3Cl)c2n1 23114930 ZPLWNLHAYHTMFA-UHFFFAOYSA-N 340.858 5.021 0 50 EKAA FC(F)(F)c1ccn2c(-c3c(Cl)cccc3Cl)ncc2c1 261494992 BIECQDYHTZGREF-UHFFFAOYSA-N 331.124 5.327 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 441564 NCBVMMJRTYRDGR-INIZCTEOSA-N 333.431 5.371 0 50 EKAA CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc3ccccc3cc1O2 2169660 WWECBXADXSKFSR-HSZRJFAPSA-N 327.427 5.369 0 50 EKAA CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)c3ccccc3)ccc12 2995451 VWVOHZWGNNWVQL-INIZCTEOSA-N 336.431 5.584 0 50 EKAA CCC(C)(C)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746329 RAHXKESFWHOCTB-UHFFFAOYSA-N 341.454 6.171 0 50 EKAA in-vitro C[C@@H](CCS(=O)(=O)c1ccccc1)C1=C[C@]2(C)C[C@H]2CC(C)(C)C1 71785979 MJVQFBUMKBXLOX-YRISNDGFSA-N 346.536 5.259 0 50 EKAA Cc1ccc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 396617 FAWLTDQJGLLZAO-UHFFFAOYSA-N 344.458 5.538 0 50 EKAA CC[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 456890 ABIGQGYIALWEGE-JOCHJYFZSA-N 345.442 5.398 0 50 EKAA CCCCOc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 2190106 BTCGIGJOHUXONZ-UHFFFAOYSA-N 325.452 5.415 0 50 EKAA COC(=O)c1ccc(-c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)cc1 5284234 WWRHANBWBBJQRB-UHFFFAOYSA-N 343.512 6.078 0 50 EKAA O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1Cl 397985 RLSRXHYYHXROPQ-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1 442037 LHBXPLILPDJALA-UHFFFAOYSA-N 336.435 5.319 0 50 EKAA COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1O 458669 WWAKBVYFFMIPPM-UHFFFAOYSA-N 342.398 5.125 0 50 EKAA biogenic Cc1ccc(COCc2ccc(COCc3ccc(C)cc3)cc2)cc1 2516809 IJMQICMKIDWWAK-UHFFFAOYSA-N 346.470 5.737 0 50 EKAA in-vitro C[C@@H]1[C@H]2C[C@@H]([C@@H]([C@@H](Nc3ccccc3)c3ccccc3)C2=O)C1(C)C 169685608 AFKLAVFLSMAXRE-MKCNHSFFSA-N 333.475 5.337 0 50 EKAA Clc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccccc2)n1 1542033331 JXMRCKWFADPEQU-UHFFFAOYSA-N 342.829 6.131 0 50 EKAA Cc1ccc(NC(=O)c2c(N)sc(-c3ccccc3)c2C)c(C)c1 233403 FEIGUCPPVSMKGF-UHFFFAOYSA-N 336.460 5.175 0 50 EKAA CC(C)C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 447740 VYHZLAWJLRYFIB-UHFFFAOYSA-N 336.435 5.387 0 50 EKAA C[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 449712 ZWMUFKMUFRJDIE-SECBINFHSA-N 344.625 5.053 0 50 EKAA C[C@]1(c2ccc(C3CCCCC3)cc2)NN=C(c2ccccc2)S1 2917300 LSPJJEZRQDNFPM-NRFANRHFSA-N 336.504 5.605 0 50 EKAA COc1cc(C)ccc1OCCCOc1cc(Cl)ccc1Cl 2985450 PIORKROLTBOQPF-UHFFFAOYSA-N 341.234 5.158 0 50 EKAA FC(F)(F)c1cc(OCc2ccccc2)ccc1Br 40456676 OIXYWYPMKGUGIM-UHFFFAOYSA-N 331.131 5.047 0 50 EKAA in-vitro BrC(=C1c2ccccc2-c2ccccc21)c1ccccc1 59522922 GMFPCFIMQWGRRD-UHFFFAOYSA-N 333.228 5.979 0 50 EKAA in-vitro CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](O)[C@@]4(C)CC[C@H]32)C1 248147868 FQADBEOLIYAFDV-AXGJTTQDSA-N 346.555 5.494 0 50 EKAA Cc1ccc(-c2noc(-c3cccn3Cc3cc(C)ccc3C)n2)cc1 263616746 KHWGJQOVIXBUDB-UHFFFAOYSA-N 343.430 5.179 0 50 EKAA FC(F)(F)c1ccccc1-c1ccc(-c2nc3c(s2)CCCC3)o1 1875290231 HPBHKFJSKMFEBU-UHFFFAOYSA-N 349.377 5.968 0 50 EKAA CCOc1ccc2nc(SCc3ccc(Cl)cc3)nc(C)c2c1 441530 ZEDJEUMISIBNBZ-UHFFFAOYSA-N 344.867 5.283 0 50 EKAA CCCCN(Cc1ccccc1)c1cc(C)c2ccc(Cl)cc2n1 23550151 LSGKDXVAQFYZHR-UHFFFAOYSA-N 338.882 6.003 0 50 EKAA CC/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27638928 BCTXZWCPBLWCRV-QCAYAECISA-N 344.495 5.760 0 50 EKAA endogenous,in-man CCCC[C@@H](CC)COC(=O)/C=C\C(=O)OC[C@H](CC)CCCC 33841139 ROPXFXOUUANXRR-RUDFYFPKSA-N 340.504 5.062 0 50 EKAA in-vitro C[C@H](F)CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705025 ROEZBBZNFJXHOC-AWEZNQCLSA-N 329.459 5.644 0 50 EKAA in-vitro CC(C)(C)Nc1ccccc1NC(=O)c1cc(Cl)sc1Cl 252485691 HBSJCOKAIIZIQZ-UHFFFAOYSA-N 343.279 5.518 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 262207 OWULGLISOULPQN-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 288792 WYXNHCGPPWVBNY-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA O=C(OCc1ccccc1)c1ccccc1SCc1ccccc1 309522 UPXJMHHLFKZHJM-UHFFFAOYSA-N 334.440 5.336 0 50 EKAA CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 453942 JJKDVLOVLYNSGF-NRFANRHFSA-N 346.405 5.159 0 50 EKAA CC[C@@H](C)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 2519779 RDTZJCQGPQLPTB-QGZVFWFLSA-N 331.459 6.038 0 50 EKAA CCOc1ccccc1OCCCOc1cc(Cl)ccc1Cl 2987062 DZSVSEXYIGFDAG-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA Cc1cccc(C)c1-c1cccc(-c2c(C)cccc2C)c1[C@H](C)O 3123668 ICMUAUYAFISBHA-IBGZPJMESA-N 330.471 6.308 0 50 EKAA CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(F)cc3)C2=C(O)C1 100629418 SJHCFPJVXJBCDQ-HXUWFJFHSA-N 336.410 5.697 0 50 EKAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 252320860 YQNTWNOXMQOVET-GMFDKDDBSA-N 329.871 5.607 0 50 EKAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 126614 BCAHQPUWMYTMFP-UHFFFAOYSA-N 346.666 5.378 0 50 EKAA Cc1c(Cl)cccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 149949 AEROXVCKWQUAPA-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA O=C(CCCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 363299 PZZVQWQRZMOWKE-UHFFFAOYSA-N 341.760 5.320 0 50 EKAA CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 470832 ZDBXROCRHWPQEU-CYBMUJFWSA-N 333.884 5.330 0 50 EKAA Cc1cc2c(o1)-c1c(oc3ccccc13)CC[C@@]2(C)c1ccccc1 3846781 HXRFFUZGBFJHBL-QHCPKHFHSA-N 328.411 6.253 0 50 EKAA biogenic CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)OC 28631278 RWLSHOXCJVZJMD-YJSMBUJGSA-N 334.500 5.276 0 50 EKAA in-vitro COc1ccc(OC)c(C[C@@]2(C)[C@@H]3CCC=C(C)[C@]3(C)CC[C@H]2C)c1 169431572 YNTBOVIYSGWPEU-OCYFJXFZSA-N 342.523 6.045 0 50 EKAA Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCC[C@H]1c1ccco1 253433221 UDUUNOLCGYFKKU-IBGZPJMESA-N 347.418 5.019 0 50 EKAA CCN(CC)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 60742 HOPABMLFSDQAMX-UHFFFAOYSA-N 337.250 5.092 0 50 EKAA Clc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1 85341 JYRVEIIBDQITON-UHFFFAOYSA-N 326.852 5.026 0 50 EKAA aggregator CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 304153 GTVFORGFECCPPU-UHFFFAOYSA-N 339.479 5.016 0 50 EKAA O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2ccccc2)cc1 408578 OOFNJMRRDJBFJO-UHFFFAOYSA-N 337.806 5.025 0 50 EKAA O=C(Nc1nc2c(Cl)cccc2s1)c1cccc2ccccc12 558574 DISOMOOULMJPMZ-UHFFFAOYSA-N 338.819 5.355 0 50 EKAA C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 1148322 SMGWGKJLYWDPDX-GOSISDBHSA-N 329.443 5.105 0 50 EKAA CC(C)(c1ccccc1)c1ccc(OC(=O)c2ccc(F)cc2)cc1 1794252 KJVVDOZKOYLMML-UHFFFAOYSA-N 334.390 5.371 0 50 EKAA O=c1oc(/C=C/c2ccccc2)nc2scc(-c3cccs3)c12 4147667 SKSKNNWBVNFHMJ-CMDGGOBGSA-N 337.425 5.148 0 50 EKAA CC[C@@H](C)c1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 6117260 VFWDFWOLNYYDQE-GFCCVEGCSA-N 339.822 5.767 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2cccs2)[C@H]3CCC1 22078030 CXFWBZIYSUWSTE-FQEVSTJZSA-N 336.504 5.295 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1C 35476478 ZDFPRYHUMIRDKG-SFHVURJKSA-N 328.843 5.326 0 50 EKAA O=C(C[C@H]1OCCc2ccccc21)Nc1ccccc1-c1cccs1 115013068 MRKBXXICOCQUCY-LJQANCHMSA-N 349.455 5.058 0 50 EKAA CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(Br)cc1 1772575830 LSAQBBSMSWPVOL-UHFFFAOYSA-N 348.240 5.522 0 50 EKAA Cc1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 194651 VZGPKQFGGZSSKR-UHFFFAOYSA-N 336.243 5.769 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 453530 QECCVQAZTBENBF-NSHDSACASA-N 340.275 5.421 0 50 EKAA FC(F)(F)c1cc(Br)c2cccc(C(F)(F)F)c2n1 2545358 DXALAFAFIXJDOS-UHFFFAOYSA-N 344.052 5.035 0 50 EKAA in-vitro Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 64985101 FMJKZPNFMYDYLG-MRXNPFEDSA-N 347.846 5.129 0 50 EKAA CCOC(=O)c1ccc(NC2c3ccccc3Oc3ccccc32)cc1 71770704 MYWDEIPJSXLLNJ-UHFFFAOYSA-N 345.398 5.171 0 50 EKAA Cc1ccc(-c2cc(C(F)F)nc(NCc3ccc(F)cc3)n2)cc1 215026 QFFNTWDOBIJHBC-UHFFFAOYSA-N 343.352 5.141 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)C1(c2ccccc2)CCCC1 454843 HCXDKVHKSAVWAB-UHFFFAOYSA-N 334.246 5.444 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 2817122 VQPBPMJXVJEKHM-KPKJPENVSA-N 327.855 5.598 0 50 EKAA COc1ccc(/C=C/c2ccc3cccc(OC)c3n2)cc1Cl 5013610 MYVFVUOBIPUKJQ-RMKNXTFCSA-N 325.795 5.076 0 50 EKAA CCCc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 6046167 OUCHHVAJKYZQHL-UHFFFAOYSA-N 325.795 5.206 0 50 EKAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccs1 17122876 HCWUWVJSXPTECG-UHFFFAOYSA-N 346.411 5.322 0 50 EKAA CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\CC[C@@H](C)O 1848442100 OMRDSKNXJYXBEL-PAUAJAHKSA-N 332.572 6.673 0 50 EKAA COc1ccc(C=O)cc1COc1cc(C)c(Cl)cc1C(C)C 372214 BSWWEPRBROHIFH-UHFFFAOYSA-N 332.827 5.172 0 50 EKAA Cc1ccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)cc1 2271990 AELJXYHTFOXAPX-UHFFFAOYSA-N 338.501 5.904 0 50 EKAA CCCCc1c([C@@H](O)c2ccccc2)cccc1[C@H](O)c1ccccc1 4950765 UMWPEIHRUAOGOI-PSWAGMNNSA-N 346.470 5.193 0 50 EKAA CCCOc1ccccc1-c1cc(C(=O)O)c2cc(C)cc(C)c2n1 6044289 ZCRFDHXNJXGMRJ-UHFFFAOYSA-N 335.403 5.006 0 50 EKAA O=C1CCCC[C@@H]1[C@H](Nc1ccc2ccccc2c1)c1cccnc1 23550161 FHMYXZJSUCPNII-RBBKRZOGSA-N 330.431 5.147 0 50 EKAA O=C(Sc1ccc(Cl)cc1)c1c2ccccc2nc2ccccc12 223114043 IYWXQLOMSAYJJX-UHFFFAOYSA-N 349.842 5.974 0 50 EKAA Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)c1 470517 KCXVFHWKFYWYQR-AWEZNQCLSA-N 333.884 5.385 0 50 EKAA C[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 1140040 JCBSGQBZPHRCNT-GOSISDBHSA-N 329.443 5.086 0 50 EKAA O=C(c1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 1382875 XJKMUAOIBCQARE-ZIAGYGMSSA-N 325.622 5.633 0 50 EKAA CCSc1ccc(C(C)(CC)c2ccc(SCC)s2)s1 2895826 GRXLSCPPZGPIMS-UHFFFAOYSA-N 342.620 6.750 0 50 EKAA Clc1ccc(-c2noc(C(c3ccccc3)c3ccccc3)n2)cc1 4905745 PAVCCMFXJZVSEF-UHFFFAOYSA-N 346.817 5.570 0 50 EKAA Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 4919419 OPGXFALPKICZSR-LBPRGKRZSA-N 338.234 5.016 0 50 EKAA Cc1ccc2cccc(OC(=O)Nc3c(Cl)cccc3Cl)c2n1 395126 YMPZUKFWZKAQDM-UHFFFAOYSA-N 347.201 5.461 0 50 EKAA CC(C)=CCOc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 454590 OVBIHKAAYSVFLL-UHFFFAOYSA-N 348.442 5.346 0 50 EKAA biogenic Cc1cccc(C)c1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 587175 ORZYDFJJZDKZFZ-UHFFFAOYSA-N 347.414 5.113 0 50 EKAA CCOC(=O)c1ccc(NC(=O)Nc2ccccc2[C@H](C)CC)cc1 609235 SASXBYKIOSDELE-CQSZACIVSA-N 340.423 5.021 0 50 EKAA FC(F)(F)c1ccc(Nc2nc(-c3cccs3)cs2)cc1 1423328 WUNKLGRKPPUPRB-UHFFFAOYSA-N 326.368 5.634 0 50 EKAA Cc1ccc(C)c([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1 197188835 XEODHVPTWTZTLA-LMDJQZBDSA-N 347.458 5.298 0 50 EKAA CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CC(C)C 1501051610 WAFUWYTXAUDVHA-XXBNENTESA-N 338.491 5.760 0 50 EKAA O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 401801 XADZDSYNSHHAGW-UHFFFAOYSA-N 349.044 5.230 0 50 EKAA CC(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 2495239 NTFLVEIPICXFNX-UHFFFAOYSA-N 338.454 6.534 0 50 EKAA COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 3810797 MHPMXTGKTXJIDI-IBGZPJMESA-N 349.474 5.036 0 50 EKAA in-vivo Fc1cccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 17072469 AQJZHSQSGRDIOP-UHFFFAOYSA-N 348.752 5.307 0 50 EKAA Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl 28563889 WXJLXRNWMLWVFB-UHFFFAOYSA-N 347.805 5.165 0 50 EKAA in-vivo Cc1sc2ncnc(Nc3ccc(F)cc3)c2c1-c1ccccc1 148053 VGEFNOJFKZNHRC-UHFFFAOYSA-N 335.407 5.549 0 50 EKAA O=C(c1sc2cc(Cl)cc(Cl)c2c1Cl)N1CCCCC1 312623 XYYMMSPTAKZUAV-UHFFFAOYSA-N 348.682 5.488 0 50 EKAA Cc1c(Cl)ccc(OCCCCN(C)Cc2ccccc2)c1C 2823484 BEVRSXLNGHMMMI-UHFFFAOYSA-N 331.887 5.248 0 50 EKAA O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc(C(F)(F)F)c1 3124328 MAEABYYIFWFTEG-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320453 JBBWYIAVZACJNU-BXKDBHETSA-N 334.769 5.059 0 50 EKAA CC[C@@H](C)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 2745702 CCSAEKNDXRBCEQ-MRVPVSSYSA-N 343.295 5.148 0 50 EKAA CCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 4644267 QNXTUCNTQOXAMA-UHFFFAOYSA-N 345.398 5.627 0 50 EKAA Cc1cc(C)cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 13329939 INTTZLVPXSKLAT-GFCCVEGCSA-N 337.250 5.493 0 50 EKAA CCCc1ccc([C@H](C)NC(=S)Nc2ccc(OCC)cc2)cc1 13751362 PBZKAHSJJGTQMJ-HNNXBMFYSA-N 342.508 5.085 0 50 EKAA COc1ccc(F)cc1-c1csc(=Nc2ccc(C)cc2Cl)[nH]1 2325879356 RLNPQQGRBJRFPP-UHFFFAOYSA-N 348.830 5.085 0 50 EKAA Cc1cc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)c(Cl)cc1Cl 135511 PHHYORWHLDBOOP-CYBMUJFWSA-N 348.273 5.747 0 50 EKAA O=C(Nc1cccc2ccccc12)N(c1ccccc1)C1CCCCC1 398820 JVWRLGXVWZNYFF-UHFFFAOYSA-N 344.458 6.211 0 50 EKAA S=c1n(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1 402589 DSLNUXMYVDPPEO-UHFFFAOYSA-N 329.428 5.059 0 50 EKAA O=C(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)C(F)(F)F 2875083 PZOCHZIJOKLPGC-UHFFFAOYSA-N 339.316 5.529 0 50 EKAA Clc1ccc(N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 4010607 OSBCZYMEYDSLKX-HNNXBMFYSA-N 344.892 5.819 0 50 EKAA Clc1ccc(N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cc1 136302434 JJOPBBXPKCSFNG-KRWDZBQOSA-N 331.246 5.964 0 50 EKAA O=C(Nc1ccc(Cl)cc1)[C@H]1CC1(c1ccccc1)c1ccccc1 54981 JQSMHWYVQYEFLS-HXUWFJFHSA-N 347.845 5.285 0 50 EKAA Fc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1F 280198 GYQAMQGSEGVNRR-UHFFFAOYSA-N 325.358 5.156 0 50 EKAA CC1=CC[C@@H](c2cnc(-c3ccccc3)c(C)c2)N[C@H]1c1ccccc1 3877679 BFOABBHAZZULHP-LADGPHEKSA-N 340.470 5.779 0 50 EKAA CCCOc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2)cc1 4320638 LCEDJXCIWZFOMA-QFIPXVFZSA-N 339.759 5.443 0 50 EKAA CCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)OCCCC 71769648 RLAUYBGFFNIGJH-INIZCTEOSA-N 334.456 5.159 0 50 EKAA CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)C(=O)C(C)(C)C 144983779 ODFOPGYFSLHCQS-RTBURBONSA-N 325.581 6.294 0 50 EKAA Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 54664 QWPPGUDQKGAOFE-GFCCVEGCSA-N 338.234 5.016 0 50 EKAA COc1ccc(Cl)cc1NC(=O)Nc1cccc2ccccc12 276261 NKXOLBLICDLSNE-UHFFFAOYSA-N 326.783 5.146 0 50 EKAA CC[C@H](C)c1ccc(NC(=S)Nc2ccc(OC)cc2OC)cc1 610825 GTQFZGALFOGIOI-ZDUSSCGKSA-N 344.480 5.026 0 50 EKAA CC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1 2556771 GIXXQTYGFOHYPT-UHFFFAOYSA-N 346.470 5.750 0 50 EKAA in-vitro C[C@H]1CCc2c(nc(-c3ccc(F)cc3)nc2-c2ccc(F)cc2)C1 3091424 BWDXNAQNELIPLZ-ZDUSSCGKSA-N 336.385 5.214 0 50 EKAA Cc1ccc([C@@H](c2ccccn2)[C@@](C)(O)c2cccc(Cl)c2)cc1 71767211 GXWLUVGEADLUOI-SFTDATJTSA-N 337.850 5.083 0 50 EKAA CCOC(=O)Nc1sc(-c2ccccc2)nc1-c1ccc(C)cc1 170623694 OWHSDSSTZUBALF-UHFFFAOYSA-N 338.432 5.354 0 50 EKAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 454242 XCMUSIPDLIZQDK-UHFFFAOYSA-N 339.822 5.289 0 50 EKAA Cc1ccc(Nc2c(-c3cccnc3)nc3ccc(Cl)cn23)cc1 2468942 DPUWESYDAWLPBI-UHFFFAOYSA-N 334.810 5.102 0 50 EKAA Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1 3975392 KBFUQFVFYYBHBT-UHFFFAOYSA-N 344.845 5.377 0 50 EKAA biogenic,in-vivo Clc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 4171392 YSMIDKSJQKXUFV-NTCAYCPXSA-N 344.845 5.908 0 50 EKAA Cc1ccc(-c2nc(Nc3ccc(O)cc3)c3ccccc3n2)cc1 17027364 VIYGZDDBHHYBES-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA Clc1ccccc1[C@@H]1N=C(c2ccccc2)[C@H]2[C@@H](c3ccccc3)N12 25586489 RZMSEVAAEBXXHE-YKSPXJAFSA-N 344.845 5.267 0 50 EKAA CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1 71746265 PCNJGBMWAZRVEA-UHFFFAOYSA-N 333.431 5.294 0 50 EKAA in-vitro C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 474282 CAIDARKGWUMOCY-SECBINFHSA-N 344.625 5.053 0 50 EKAA CC(C)Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 475890 WYSYMHHJHYFVMK-UHFFFAOYSA-N 339.222 5.425 0 50 EKAA Cc1cccc2c(C(=O)Oc3ccccc3)cc(-c3ccccc3)nc12 2079356 VPVMWHJXGOCBIB-UHFFFAOYSA-N 339.394 5.429 0 50 EKAA CCC(CC)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 83312563 WGDPTKDHJBWBHI-UHFFFAOYSA-N 341.454 6.387 0 50 EKAA in-vitro C[C@H](NC(=S)Nc1ccc(SC(F)(F)F)cc1)C(C)(C)C 48208 OEVOZUAJLIJWHI-VIFPVBQESA-N 336.448 5.020 0 50 EKAA C=Cc1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 1165104 HBUUGWMCVYPNCX-UHFFFAOYSA-N 346.304 5.034 0 50 EKAA COc1ccc(-c2ccccc2)cc1NC1C2CC3CC(C2)CC1C3 2465893 VCEAEDQSYNEKJU-UHFFFAOYSA-N 333.475 5.599 0 50 EKAA CCc1ccc(-c2cc(N(C(C)C)C(C)C)c3ccccc3n2)cc1 4542551 VSADLHIHKIDJIS-UHFFFAOYSA-N 332.491 6.087 0 50 EKAA Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc2c1C(=O)O 6254281 IUIHMJJMYAJXCP-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)OC 28631275 RWLSHOXCJVZJMD-KPMWKZHNSA-N 334.500 5.276 0 50 EKAA in-vitro C[C@]1(c2ccccc2)c2ccccc2-c2c(Br)cccc21 218819441 PZZHUKPHKDLYAD-FQEVSTJZSA-N 335.244 5.784 0 50 EKAA COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 308891 GJUHVGTVEQSOCC-IZZDOVSWSA-N 329.827 5.124 0 50 EKAA O=C(CSCc1c(Cl)cccc1Cl)Nc1cccc(F)c1 382655 QEBNTNRDMRCFLO-UHFFFAOYSA-N 344.238 5.004 0 50 EKAA CCc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1 438484 NGAZKWBGWHXZNV-UHFFFAOYSA-N 330.456 6.269 0 50 EKAA COc1cccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 2989396 UMYQNRHCVPJWCD-UHFFFAOYSA-N 349.455 5.240 0 50 EKAA Cc1cccc(-c2cccc(-c3cccc(C)c3)c2Br)c1 3121942 JFGFYZCDCMTWBJ-UHFFFAOYSA-N 337.260 6.400 0 50 EKAA COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccccc1C(C)C 4036991 BRYZFWXUXBQFPG-UHFFFAOYSA-N 338.234 5.378 0 50 EKAA O=C1Nc2cc(Cl)ccc2Oc2cc(Oc3ccccc3)ccc21 4745729 PGAAGKZEOCRNKU-UHFFFAOYSA-N 337.762 5.490 0 50 EKAA aggregator Nc1ccc(C(c2ccccc2)c2ccc(N)c(Cl)c2)cc1Cl 5092517 MPBGWBRAIWGDRB-UHFFFAOYSA-N 343.257 5.338 0 50 EKAA Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3c3ccccn3)cc2)o1 72472804 OYTAAWMTIUICJA-HXUWFJFHSA-N 346.430 5.017 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCCCC(=O)OC 215928819 ABGHYAFHPINIHF-DDHXBNBWSA-N 346.555 7.085 0 50 EKAA Cc1ccc(NCc2cnc3ccccc3c2)cc1NC(=O)C(C)(C)C 269421090 DNLURKAXLDORPR-UHFFFAOYSA-N 347.462 5.140 0 50 EKAA O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc2ccccc12 182244 GRFVKIMYCZSPCX-UHFFFAOYSA-N 331.202 5.791 0 50 EKAA O=C(Nc1cccc(Cl)c1)NC(c1ccccc1)c1ccccc1 275353 MJLKZRTVYHMILO-UHFFFAOYSA-N 336.822 5.251 0 50 EKAA Cc1nc(-c2ccc(NC(=O)CCCc3ccccc3)cc2)cs1 4247953 UUKWJPLPDSBMFA-UHFFFAOYSA-N 336.460 5.080 0 50 EKAA C[C@H]1CCCN(CCCCOc2cccc(Oc3ccccc3)c2)C1 4915082 ZTKFGNYPKVEASF-IBGZPJMESA-N 339.479 5.370 0 50 EKAA CC(C)c1nc2cc(C(=O)N(Cc3ccccc3)CC3CC3)ccc2o1 12075690 PUSFAYSTMHFLDT-UHFFFAOYSA-N 348.446 5.004 0 50 EKAA CC(C)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859454 BBNUROBSKAJPGN-UHFFFAOYSA-N 341.454 6.072 0 50 EKAA in-vitro C[C@H](NCc1csc(C23CC4CC(CC(C4)C2)C3)n1)c1ccco1 65387948 MDDZNHUCCIVPLM-IVKJLDKCSA-N 342.508 5.055 0 50 EKAA CCOC(=O)c1ccc(Nc2cc(C)c3c(C)cc(C)cc3n2)cc1 307770 JJXLYTSHKCQCBI-UHFFFAOYSA-N 334.419 5.080 0 50 EKAA COc1ccccc1NC(=O)Nc1cc(Cl)c(Cl)cc1Cl 398100 HLFSKQNRZBLEBI-UHFFFAOYSA-N 345.613 5.299 0 50 EKAA Cc1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1 443276 SLMXHGWBJGXGKR-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA O=C(O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12 454490 ZBKJWKHDYQZPFG-UHFFFAOYSA-N 325.367 5.267 0 50 EKAA Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccccc1 2557596 OTPXMLJRCFSDSD-UHFFFAOYSA-N 336.458 5.665 0 50 EKAA c1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1 3898261 WNWXXQTUESDFIN-UHFFFAOYSA-N 325.456 7.030 0 50 EKAA Cc1oc(-c2ccsc2)nc1CN1CCC(c2ccccc2)CC1 23543024 OJBNGXBDQXKKOH-UHFFFAOYSA-N 338.476 5.091 0 50 EKAA Cc1cc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c(C)c(C)c1C 2325823679 AIKIMZLLDNITSL-UHFFFAOYSA-N 343.883 5.258 0 50 EKAA Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 7460 YCOYDOIWSSHVCK-UHFFFAOYSA-N 346.821 5.013 0 50 EKAA investigational c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 85047 XFVZHFLPHLUWLZ-VGSWGCGISA-N 343.451 5.663 0 50 EKAA O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1Cl 272393 RZNRWVNXRAKTFL-UHFFFAOYSA-N 337.806 5.171 0 50 EKAA COc1ccc(-c2cc(N3CCCC[C@@H]3C)c3ccccc3n2)cc1 4542563 BMVTZMBNLUGCKC-INIZCTEOSA-N 332.447 5.289 0 50 EKAA CCCCCCC(=O)CCCCCCCCC(=O)CCCCCC 4798581 YKXMGWWHVDPUHX-UHFFFAOYSA-N 338.576 7.186 0 50 EKAA Cc1cc(Nc2ccc(Br)cc2)c2cc(Cl)ccc2n1 5721937 LZZAIYOYITYEFM-UHFFFAOYSA-N 347.643 5.703 0 50 EKAA O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1 8744126 JPDDFHHRTBLTJP-UHFFFAOYSA-N 346.411 5.170 0 50 EKAA Cc1cc(NCCc2ccccc2Cl)nc2cc(Cl)ccc12 19720692 QZHVLGSKEOPWPD-UHFFFAOYSA-N 331.246 5.505 0 50 EKAA Clc1ccc(C(NC2CCCCC2)c2ccc(Cl)cc2)cc1 96026554 DLCJEKRKLHKYIX-UHFFFAOYSA-N 334.290 6.005 0 50 EKAA O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3ccccc3s2)cc1 444479 AYDRFBJNWOSGEV-VAWYXSNFSA-N 346.411 5.208 0 50 EKAA C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1 1799822 YIYLPJXGRHENQR-MRXNPFEDSA-N 342.394 5.600 0 50 EKAA biogenic Cc1cccc(-c2noc(Cc3ccc(-c4ccccc4)cc3)n2)c1 2346029 DGDDJJQTTUCDAK-UHFFFAOYSA-N 326.399 5.303 0 50 EKAA O=C(CCNc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1 2541830 ZPVWQUKSKGDUCZ-UHFFFAOYSA-N 348.151 5.096 0 50 EKAA CC1CCN(c2nc(/C=C/c3ccccc3)nc3ccccc23)CC1 4700912 XOJOPXCXOHRRHK-VAWYXSNFSA-N 329.447 5.037 0 50 EKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc2ccccc12 4851296 NILDCFLWCZIRIW-UHFFFAOYSA-N 337.378 5.992 0 50 EKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(C)(C)C 5443225 LZAPDGCTXWEPHU-UHFFFAOYSA-N 334.419 5.200 0 50 EKAA Fc1ccc(COc2ccc(Br)cc2)c(C(F)(F)F)c1 86033252 BAXSKPBBKBNXRD-UHFFFAOYSA-N 349.121 5.186 0 50 EKAA CO[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 207177904 KKPPCFHEPVJDLG-LJQANCHMSA-N 332.443 5.030 0 50 EKAA C1=C[C@H]2[C@H]1[C@]1(Cc3ccccc3)N=N[C@]2(Cc2ccccc2)[C@@H]2C=C[C@H]21 248099399 OVPRGOYKNGAKIF-MQPKBSOCSA-N 338.454 5.033 0 50 EKAA Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 317189 XSZPDBWZNHUUIS-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA O=C(Nc1ccc(O)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 477328 PRRGOBIQPUBLDK-UHFFFAOYSA-N 348.185 5.211 0 50 EKAA Cc1ccc(C(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccccc2)cc1 571989 YWLADLYAIILOQJ-JOCHJYFZSA-N 344.410 5.084 0 50 EKAA CCOc1cc2oc(C)c(-c3ccccc3Cl)c(=O)c2cc1CC 2107239 XIRGYOPDUNABJQ-UHFFFAOYSA-N 342.822 5.383 0 50 EKAA biogenic Cc1c(Cl)ccc(OCCCCn2cnc3ccccc32)c1C 5049073 PIZXFIQFQYYATA-UHFFFAOYSA-N 328.843 5.166 0 50 EKAA C[C@@]12CCC3(C=C1CCCC21SCCS1)SCCS3 343702 PAUATRPREIQMBW-CYBMUJFWSA-N 330.609 5.249 0 50 EKAA Cc1ccccc1OCCCOc1ccc(Cl)c2cccnc12 2862462 MFXQSTURUFEHDI-UHFFFAOYSA-N 327.811 5.045 0 50 EKAA COc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 2999292 KEVGOIDCRAQICZ-UHFFFAOYSA-N 338.457 5.542 0 50 EKAA O=C(Nc1ccc(Cl)cc1)c1c2c(nc3ccccc13)CCCC2 3205069 AGVBWHZLRRKQQX-UHFFFAOYSA-N 336.822 5.019 0 50 EKAA Cc1ccc(N(C(=O)c2ccncc2)c2ccc3ccccc3c2)cc1 241680 MZWCFUZQPWGAQJ-UHFFFAOYSA-N 338.410 5.522 0 50 EKAA CCC(=O)N1c2cc(C)ccc2-c2c(ssc2=S)C1(C)C 317758 AVELAOSDXHVMCO-UHFFFAOYSA-N 335.519 5.506 0 50 EKAA Cc1cc(NC(=O)c2cc3ccccc3o2)cc(C)c1Br 451550 DYVSPUGOSRNHCN-UHFFFAOYSA-N 344.208 5.064 0 50 EKAA O=C(Cc1ccccc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 452283 HQIRHUCAAMWRLE-UHFFFAOYSA-N 337.806 5.314 0 50 EKAA Cc1ccc2c(C)nc(SCc3cccc4ccccc34)nc2c1 2856619 WDJHSFBKTDZOIX-UHFFFAOYSA-N 330.456 5.692 0 50 EKAA N=C1N=NC(c2ccccc2)=CS/C1=C\c1ccc(Cl)cc1 4338611 DEPVSAHYUIIKBD-DJDDPJKISA-N 325.824 5.856 0 50 EKAA Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)C(C)C)c3ccc(C)cc32)cc1 292633 HLXQKZHSDMFLFU-YLJYHZDGSA-N 336.479 5.238 0 50 EKAA CCOc1cccc(OCCCOc2cccc(Cl)c2Cl)c1 2991194 LVQNOVXZYCXRNM-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA CCCCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1C 2994919 OYMOAGXSOVORCV-UHFFFAOYSA-N 336.435 5.549 0 50 EKAA CCc1cccc(C)c1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 4542077 UILLTSOXGWBAMB-OUKQBFOZSA-N 347.483 5.938 0 50 EKAA COc1ccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3S2)cc1 5350381 ZVDODLRPJFDLAT-QFIPXVFZSA-N 345.467 6.053 0 50 EKAA Clc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccccc2)cc1 39959751 NYQNRPXWNWIFSC-SFHVURJKSA-N 338.863 5.757 0 50 EKAA Cc1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12 1875334824 GPGQLTLDCBOBNT-UHFFFAOYSA-N 332.628 5.626 0 50 EKAA Cc1cc(Br)ccc1NC(=O)c1ccc(C(C)C)cc1 308253 LAQOXVPMHVLLPB-UHFFFAOYSA-N 332.241 5.133 0 50 EKAA O=C(Nc1ccc2ncccc2c1)c1ccccc1Oc1ccccc1 1441899 OGGBXNFTCNDBJF-UHFFFAOYSA-N 340.382 5.279 0 50 EKAA CCOc1ccc2nc(NC(=O)c3ccc(C(C)C)cc3)sc2c1 2750079 YQLIEBVOCZAWPZ-UHFFFAOYSA-N 340.448 5.071 0 50 EKAA COC1=CC2=CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 5080297 NKWZNFOLDIHRJW-BGJURXJTSA-N 328.496 5.295 0 50 EKAA COc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 13774756 ZMRXPVZVZWETCK-AWEZNQCLSA-N 342.508 5.040 0 50 EKAA CCc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1 20192197 OJPXBGMHLOWFKM-NSHDSACASA-N 337.250 5.439 0 50 EKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H](C[C@@H]12)C(=O)[C@]12CC[C@@H](C)[C@@H]1CC[C@@]32C 71786352 QOHMQRPYGSPDAW-WIRLZCAJSA-N 342.567 6.116 0 50 EKAA Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 555038 JTABQJFJBJJVPM-GFCCVEGCSA-N 339.382 5.133 0 50 EKAA CCC[C@]1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 248197216 QYKFGQQFZQYMFW-XZAVUURCSA-N 337.507 5.218 0 50 EKAA C1CCC([C@@H]2C[C@@H](C3CCCCC3)C[C@H](C3CCCCC3)N2)CC1 257355600 BOWYTYOCTVPDHY-NUNAXRQHSA-N 331.588 6.464 0 50 EKAA O=C(Nc1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1 557747 STQJAORIZCXNGX-UHFFFAOYSA-N 339.341 5.207 0 50 EKAA CC(=O)c1cccc(NC(=O)Nc2ccccc2Cc2ccccc2)c1 609993 MQYBZIZNVTYWEH-UHFFFAOYSA-N 344.414 5.124 0 50 EKAA O=C(CCNc1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1 2520610 HFTMSHHHHOMLKS-UHFFFAOYSA-N 341.882 6.073 0 50 EKAA Cc1nn(C)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 2740469 RUDFZISXBQMIKC-UHFFFAOYSA-N 342.176 5.188 0 50 EKAA COc1ccc(/C=C(/C(=O)NC2CCCCCC2)c2ccccc2)cc1 2817573 CHOPNNJVIQRDCF-OQKWZONESA-N 349.474 5.075 0 50 EKAA Cc1cccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)c1 15867060 IHSCAJZDKRZEOS-KRWDZBQOSA-N 328.481 5.514 0 50 EKAA Brc1cccc(-c2nc3ccccc3n2-c2ccccc2)c1 49588495 YFUWVSPCUFTGQN-UHFFFAOYSA-N 349.231 5.455 0 50 EKAA in-vitro COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1O 100223540 GVVMEVSFLBMIMJ-UHFFFAOYSA-N 342.398 5.125 0 50 EKAA O=C(N[C@@H]1CCCC2(CCCC2)C1)c1ccc(C2CCCCC2)s1 1875343640 PEMNIEUMHDZTHC-QGZVFWFLSA-N 345.552 6.029 0 50 EKAA CCc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1 348267 AYUWGPSXPNCTNS-UHFFFAOYSA-N 342.398 5.310 0 50 EKAA C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Cl 483838 CHKBAVRSRJNFED-VIFPVBQESA-N 344.625 5.053 0 50 EKAA CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCC 615554 BXUYPEFWJOAEBZ-UHFFFAOYSA-N 340.250 5.403 0 50 EKAA CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 1123949 PGDICNBXDPTANQ-INIZCTEOSA-N 339.479 5.514 0 50 EKAA COC(=O)c1c(N)sc(C)c1-c1ccc(C2CCCCC2)cc1 2575796 JEELCXOZKKIIHR-UHFFFAOYSA-N 329.465 5.140 0 50 EKAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 2882242 AILVURWXCOPDFD-LBPRGKRZSA-N 335.806 5.010 0 50 EKAA O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc2ccccc2o1 4842265 MYJPDNLKOCDZSG-UHFFFAOYSA-N 339.700 5.357 0 50 EKAA CC/C=C\C=C\[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 35900043 CSXQXWHAGLIFIH-JMQOUWMPSA-N 344.495 5.520 0 50 EKAA in-vitro C[C@H](NC(=O)c1csc(C2CCCCC2)c1)[C@@H](C)c1ccccc1 2325840870 VGTFVQUITVOVSX-CVEARBPZSA-N 341.520 5.718 0 50 EKAA Cc1[nH]c2ccccc2c1-c1csc(-c2c[nH]c3ccccc23)n1 152218 ASURGCRDOSOXBV-UHFFFAOYSA-N 329.428 5.748 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)Nc1cccc2ccccc12 398124 XPBWYJPETBFBLF-UHFFFAOYSA-N 331.202 5.791 0 50 EKAA Cc1cccnc1Nc1nc(-c2ccc(Cl)cc2Cl)cs1 612440 QRRJLLMGBBGVPF-UHFFFAOYSA-N 336.247 5.564 0 50 EKAA Cc1cc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 1430294 JGGVQEUBXQNEMC-KRWDZBQOSA-N 330.218 5.138 0 50 EKAA C/C=C/c1ccc(OCCCCOc2cccc(C)c2C)c(OC)c1 4702134 XPEWGWYUPCQZII-WEVVVXLNSA-N 340.463 5.583 0 50 EKAA CCOc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 4840683 ZMTQKGYVJIDJGM-UHFFFAOYSA-N 332.403 5.456 0 50 EKAA CCCCc1c/c(=N\O)oc2cc3c(cc12)CCC1(CCCCC1)O3 9547761 IDKNOVDPZHNZLG-LSDHQDQOSA-N 341.451 5.093 0 50 EKAA Fc1cccc(-c2ccc(Nc3cccc4cccnc34)nc2)c1F 2356169227 NLVRREGHQWLYOC-UHFFFAOYSA-N 333.341 5.319 0 50 EKAA OCc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 470195 CFTPKJCEPIQDLP-UHFFFAOYSA-N 333.214 5.218 0 50 EKAA CCSc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 610733 WMAMITDLLXHYOQ-UHFFFAOYSA-N 325.355 5.070 0 50 EKAA Cc1cc(C)c2nc(-c3ccc(Cl)cc3Cl)cc(C(=O)O)c2c1 2760770 GBTZFDYQAFWSAB-UHFFFAOYSA-N 346.213 5.524 0 50 EKAA Clc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1 6237973 MHGCDBNQFDHVEZ-UHFFFAOYSA-N 336.847 6.360 0 50 EKAA biogenic Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(F)c2)s1 15867157 MOZHFZBJLWLFNG-INIZCTEOSA-N 332.444 5.345 0 50 EKAA O=C(O)CCc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 71770879 RKXCRRNVMDUHQG-UHFFFAOYSA-N 343.835 5.148 0 50 EKAA c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(N3CCCC3)ON2c2ccccc2)cc1 169621023 SQSXAQLOKCEYPF-YTFSRNRJSA-N 348.490 5.162 0 50 EKAA COc1cccc(OC)c1-c1cccc2c1P(C(C)(C)C)[C@H](C)O2 210772303 MWVWXQBMRNEOBK-SGZRZGDHSA-N 344.391 5.015 0 50 EKAA CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257346164 STKWRJUKSJWSDX-QKRLIBHQSA-N 346.555 5.987 0 50 EKAA C[C@H]1C[C@@H](CNc2ccccc2Oc2ccc(Cl)cc2)C[C@@H](C)O1 1776004982 VKSZNYOWMFDMBL-ZSHCYNCHSA-N 345.870 5.748 0 50 EKAA CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1Cl 445325 WSORFYXMRXPKSH-UHFFFAOYSA-N 325.795 5.144 0 50 EKAA CC1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1 17068700 IAUJZVNUESZESW-OGVSOVDVSA-N 333.541 5.208 0 50 EKAA CCCC[C@H](CC)COc1ccc(C(=O)c2ccccc2)c(O)c1 31622589 SLXIKWJMGICOAO-INIZCTEOSA-N 326.436 5.218 0 50 EKAA c1ccc2c(c1)-c1ccccc1C21[C@H]2C[C@H]1c1cccc3cccc2c13 101012711 KHIXDTVTMJVMCS-ZEQRLZLVSA-N 330.430 6.391 0 50 EKAA C[C@H]1CCCCN1C(=S)Nc1ccc(Oc2ccccc2)cc1 110364 NXRHVBZRNDQLCU-HNNXBMFYSA-N 326.465 5.050 0 50 EKAA Cc1cc(C)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)c1 121177 BASBQDWPHFSQTR-FNORWQNLSA-N 334.246 5.571 0 50 EKAA Cc1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)c(C)c1 192386 XKNLMFWUSFSTBJ-UHFFFAOYSA-N 333.412 5.200 0 50 EKAA CCc1cccc(CC)c1NC(=O)Nc1cccc(Cl)c1Cl 398125 YZQIRYUGZZFNIA-UHFFFAOYSA-N 337.250 5.762 0 50 EKAA Cc1nn(C)c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12 2740856 XUIXFDMGTLLTMN-UHFFFAOYSA-N 341.336 5.116 0 50 EKAA CCc1cccc(C)c1Nc1c(-c2cccs2)nc2ncccn12 4734142 VXXZQHTXQNOOBI-UHFFFAOYSA-N 334.448 5.072 0 50 EKAA Cc1ccc(-c2c(C)nn3c(Nc4ccccc4)cc(C)nc23)cc1 7572469 VVZNUWXJECAIEH-UHFFFAOYSA-N 328.419 5.065 0 50 EKAA CCc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 13329915 QFAOOOXJFROPDP-NSHDSACASA-N 337.250 5.439 0 50 EKAA O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)Nc1ccccc1 18175741 OYJKKFPHGIIPIE-LHHMWQFHSA-N 345.486 5.553 0 50 EKAA c1ccc(Oc2cccc(CSc3nc4ccccc4o3)c2)cc1 48645 SNKAPUKLIQGXGP-UHFFFAOYSA-N 333.412 5.912 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)CC(c1ccccc1)c1ccccc1 460725 LEQFDEDOFUVQNT-UHFFFAOYSA-N 349.861 5.809 0 50 EKAA CC(C)=C[C@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C 900670 VEMKTZHHVJILDY-PMACEKPBSA-N 338.447 5.152 0 50 EKAA biogenic,in-man c1cc2c(cc1C13CC4CC(CC(C4)C1)C3)c1c3n2CCN[C@@H]3CCC1 3877774 SEZWQWWZHCXHBO-FRIJYXMCSA-N 346.518 5.090 0 50 EKAA c1ccc(CC2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 4991690 DPROETSHFSECCU-UHFFFAOYSA-N 348.515 5.265 0 50 EKAA Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C)o4)cc3)sc2c1 375940 WCQXQSQZHQXEDR-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA Cc1cc(C)cc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1 2426917 WSEVILUOIMHWRN-UHFFFAOYSA-N 342.446 5.374 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)c3cc(C)ccc3C)ccc21 2846570 NVLIXQADEMQFJG-UHFFFAOYSA-N 342.442 5.684 0 50 EKAA CCCC(CCC)C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 3880283 MRXAFSNZMPMADA-UHFFFAOYSA-N 336.479 5.684 0 50 EKAA biogenic C1CCCC2CCC(CCCCCCC3CCC(CC1)CC3)CC2 71782861 LEEREDBGISIIJY-UHFFFAOYSA-N 332.616 8.294 0 50 EKAA CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 140710361 XHAQVTQQTINORH-CALCHBBNSA-N 346.436 7.446 0 50 EKAA CCCCC1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245231365 CILLEQOHMDEEAL-MCEIDBOGSA-N 337.507 5.266 0 50 EKAA CC(=O)O[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257358323 STKWRJUKSJWSDX-ZZNDGULVSA-N 346.555 5.987 0 50 EKAA CC(C)Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 310591 QQEXVHHOWRGCSI-UHFFFAOYSA-N 336.460 5.261 0 50 EKAA CCn1c(SCc2ccccc2Cl)nnc1C1CCCCC1 560798 NNFMLOIDRNBXTK-UHFFFAOYSA-N 335.904 5.291 0 50 EKAA C=Cc1ccc(COc2ccc3c(CCC)cc(=O)oc3c2C)cc1 2814296 QZBCMZBMYJMFDL-UHFFFAOYSA-N 334.415 5.276 0 50 EKAA Cc1ccc(-c2c(C)nn3c(Nc4ccc(F)cc4)cc(C)nc23)cc1 23114981 XIKXMAQNMYGUFI-UHFFFAOYSA-N 346.409 5.204 0 50 EKAA Cc1ccc(-c2cc(C(=O)OCC(C)C)c3cc(C)ccc3n2)cc1 76356 COPXZSPPXXWKHT-UHFFFAOYSA-N 333.431 5.331 0 50 EKAA O=C(NC1CCCCC1)c1ccccc1SCc1ccccc1 454091 LBWBQAQLOVJKPW-UHFFFAOYSA-N 325.477 5.041 0 50 EKAA Cc1cc(Cl)ccc1Nc1ncnc2ccc(Br)cc12 4056139 PEGUAVYZNTZLTH-UHFFFAOYSA-N 348.631 5.098 0 50 EKAA COc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12 13633718 KKQJHHJKFWMYKZ-UHFFFAOYSA-N 327.387 5.049 0 50 EKAA Cc1cccc([C@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)c1 64984595 MDBGOZAACVJOAZ-OAQYLSRUSA-N 336.479 5.761 0 50 EKAA CC(C)CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705117 JOVRITWYDROVAQ-UHFFFAOYSA-N 339.523 6.333 0 50 EKAA in-vitro Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 121360 LIBAFFARSUZVNW-UHFFFAOYSA-N 345.442 5.296 0 50 EKAA c1ccc(NNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 299975 UPFSAJNUUJHGBC-UHFFFAOYSA-N 338.414 5.250 0 50 EKAA O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1Cl 372195 XYFFLXIKFGHADV-UHFFFAOYSA-N 349.044 5.481 0 50 EKAA CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 1147073 BTWVGSPXXGOSQV-QHCPKHFHSA-N 343.470 5.332 0 50 EKAA Cc1ccccc1SC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1738430 OAMUQEIKDAPOFN-UHFFFAOYSA-N 345.773 5.991 0 50 EKAA Clc1ccc(OCCCNCc2ccccc2)c2ccccc12 2825057 FDOPSQKOWCDLFO-UHFFFAOYSA-N 325.839 5.052 0 50 EKAA CC(C)(C)c1ccc(OCCCOc2ccc(C(C)(C)C)cc2)cc1 2885530 OKKFOUZFBQVZDH-UHFFFAOYSA-N 340.507 6.130 0 50 EKAA CCc1ccccc1NC(=O)c1ccc(CSc2ccccc2)o1 4538946 PXFYEWXFYJTMRS-UHFFFAOYSA-N 337.444 5.387 0 50 EKAA CSc1ccc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)c1 4543194 XTRVDNZLDKNEDJ-UHFFFAOYSA-N 345.773 5.333 0 50 EKAA O=C(Oc1ccc(Cl)c2cccnc12)C12CC3CC(CC(C3)C1)C2 4954840 GKRZRMZQRVLTJX-UHFFFAOYSA-N 341.838 5.010 0 50 EKAA O=C1CCC[C@H]1C[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 22204973 DXWZFUPCEUMLAK-FUHWJXTLSA-N 326.823 5.066 0 50 EKAA c1ccc(OC2CCN(C3(c4ccccc4)CCCCC3)CC2)cc1 96027202 UZVUTTAJDOXNKU-UHFFFAOYSA-N 335.491 5.389 0 50 EKAA CCCc1cc(=O)oc2cc(OCc3c(F)cccc3Cl)ccc12 82727 OJPBVGZMQLZWOS-UHFFFAOYSA-N 346.785 5.117 0 50 EKAA c1ccc2c(c1)CC1(CCCC1)n1c-2cc2nc3ccccc3nc21 86259 QTLAIAKMLYNAIN-UHFFFAOYSA-N 325.415 5.077 0 50 EKAA biogenic CCCc1c(C)c2ccc(OCc3ccccc3Cl)cc2oc1=O 4309822 MRJGWKSXIXDFNW-UHFFFAOYSA-N 342.822 5.286 0 50 EKAA O=C(Nc1ccccc1Cl)C1c2ccccc2Oc2ccccc21 110384 RARWZEWOMOSPHQ-UHFFFAOYSA-N 335.790 5.216 0 50 EKAA O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 182103 LKBBAJFXXZYVQV-UHFFFAOYSA-N 333.577 5.430 0 50 EKAA O=C(Nc1cccc2ccccc12)Oc1ccc(Cl)cc1Cl 398391 RCUPXSSDJGEIIN-UHFFFAOYSA-N 332.186 5.758 0 50 EKAA CC(C)c1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 4542035 AOOOZCILSDOMJZ-UHFFFAOYSA-N 339.822 5.976 0 50 EKAA Cc1ccccc1CNC(=O)c1ccc(CSc2ccccc2)cc1 4702059 FIBFSVVICOJVRO-UHFFFAOYSA-N 347.483 5.217 0 50 EKAA CC(=O)Oc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 7401728 AYADQLQISTWZKP-UHFFFAOYSA-N 339.435 5.111 0 50 EKAA Cc1cc(F)ccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 13736894 OPBYQUCWXSDPKQ-UHFFFAOYSA-N 329.227 5.250 0 50 EKAA Cn1ncc2c(NCc3ccc(-c4ccccc4Cl)o3)cccc21 1875316428 QRLVXSYCDBUUMA-UHFFFAOYSA-N 337.810 5.099 0 50 EKAA CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)CCC(C)(C)C2 1875357733 UVMUMDGBWQFMTA-GDBMZVCRSA-N 333.541 5.352 0 50 EKAA CCc1ccccc1Nc1nc(-c2c(C)nc3sccn23)cs1 36374 FMTFRSLZAOWDTN-UHFFFAOYSA-N 340.477 5.134 0 50 EKAA Cc1cc(O)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1C 172772 PUJDBQITJLNYIV-UHFFFAOYSA-N 341.794 5.175 0 50 EKAA Cc1cc(C)cc(CSCC(=O)Nc2c(C)cc(C)cc2C)c1 470690 ZFZKIVGFRMBQMA-UHFFFAOYSA-N 327.493 5.101 0 50 EKAA COc1ccccc1OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1850404 HJGPCZTZLBSURT-UHFFFAOYSA-N 340.463 5.509 0 50 EKAA CCc1ccc([C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 4615123 BZTTTXHMKNUCTK-VZLUNSFSSA-N 325.496 5.033 0 50 EKAA C[C@@H](CCc1ccc(O)cc1)N[C@H](Cc1ccccc1)c1ccccc1 5721663 TZRUIISVMVCADI-YADARESESA-N 345.486 5.287 0 50 EKAA Cc1ccc(/N=c2/oc3ccccc3nc2Nc2ccc(C)cc2)cc1 17111377 QBBQXGWTAWEVJG-ZNTNEXAZSA-N 341.414 5.421 0 50 EKAA c1csc(-c2ccc3[nH]c4ccc(-c5cccs5)cc4c3c2)c1 215974641 VFFMMTGRCBFHJJ-UHFFFAOYSA-N 331.465 6.778 0 50 EKAA COc1cccc(-c2nnc(-c3sc4ccccc4c3Cl)o2)c1 64790 RKNVFVPJGGFNAP-UHFFFAOYSA-N 342.807 5.280 0 50 EKAA CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 947426 MEUDNRMGPGFTHM-BJMVGYQFSA-N 336.218 5.044 0 50 EKAA C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 1148320 SMGWGKJLYWDPDX-SFHVURJKSA-N 329.443 5.105 0 50 EKAA Cc1n[nH]c(C)c1CCCCCCOc1ccc(C(C)(C)C)cc1 2497265 RCWWLZVOHPURHD-UHFFFAOYSA-N 328.500 5.506 0 50 EKAA CC[C@H](C)c1ccccc1OCCOc1ccc(C=O)cc1Cl 2866739 FRHLUCICNQRJAI-AWEZNQCLSA-N 332.827 5.124 0 50 EKAA Cc1nc(Nc2ccc(F)c(Cl)c2)c2c3c(sc2n1)CCC3 3913492 QLGYDRUUAKDTNB-UHFFFAOYSA-N 333.819 5.025 0 50 EKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(F)c1 4869101 WIWXEGUSYPNEIC-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA CC(C)(C)c1ccc(OCc2oc(C(C)(C)C)cc2C(=O)O)cc1 12381736 JNOOVKALUBLDKY-UHFFFAOYSA-N 330.424 5.152 0 50 EKAA CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)NCCO 150374837 LGEQQWMQCRIYKG-BHVWNTRMSA-N 347.543 5.241 0 50 EKAA Cc1nc([C@H]2CCCN2C(=O)Nc2c(C)cccc2C(C)C)cs1 188347934 RUOALZZVYJIZNZ-QGZVFWFLSA-N 343.496 5.252 0 50 EKAA Cc1ccc(C)c([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 245257218 XEODHVPTWTZTLA-AVZGGOQTSA-N 347.458 5.298 0 50 EKAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=C(F)C[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]32)C1 254756911 NQPNKHPRIRGDJL-GRRDBQFMSA-N 334.475 5.568 0 50 EKAA COc1cccc2cc(-c3nnc(-c4ccc(CC(C)C)cc4)o3)oc12 1875335915 LOCIGORNCRRGFP-UHFFFAOYSA-N 348.402 5.357 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)c1ccccc1CCc1ccccc1 145347 GFOTXNPQNFCSDL-UHFFFAOYSA-N 349.861 5.686 0 50 EKAA O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)cc2)o1 276711 RBNWIASMOBKXSY-UHFFFAOYSA-N 332.186 5.506 0 50 EKAA CC(C)c1ccc(N2C(=O)CSC23CCC(C(C)(C)C)CC3)cc1 2192628 PRBQITALZONCER-UHFFFAOYSA-N 345.552 5.822 0 50 EKAA Cc1nc2sccn2c1-c1csc(Nc2ccc(Cl)cc2)n1 4370166 PGZGJGPMFYSVOG-UHFFFAOYSA-N 346.868 5.225 0 50 EKAA O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)CCc2ccccc21 70023 FVXCIWGEVPQKCT-SQFISAMPSA-N 345.354 5.067 0 50 EKAA O=C(NCCc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 398048 VBHFFIRHFZAQRZ-UHFFFAOYSA-N 343.641 5.011 0 50 EKAA Clc1ccc(Cl)c(Nc2nc(-c3cccs3)cs2)c1 407399 GCMHZKYUYHPJLP-UHFFFAOYSA-N 327.261 5.922 0 50 EKAA C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 443860 BEFIDONMBKBBEC-MRXNPFEDSA-N 349.455 5.598 0 50 EKAA Cc1cc(C)c(NC(=O)c2ccccc2CCc2ccccc2)c(C)c1 1064402 DTTXONUPFVOXME-UHFFFAOYSA-N 343.470 5.649 0 50 EKAA Cc1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 1893461 XITLZIKYRSVGTE-UHFFFAOYSA-N 342.394 5.347 0 50 EKAA biogenic C[C@@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1Cl 13329911 KYRDSDRKBMBXOV-SECBINFHSA-N 327.186 5.015 0 50 EKAA CCS[C@@H](c1ccccc1)c1[nH]c2ccccc2c1CCN(C)C 71769156 MMYIBOYZAPLAAX-NRFANRHFSA-N 338.520 5.115 0 50 EKAA CCOc1ccc([C@H]2Nc3ccccc3C(CC)(CC)O2)cc1OC 33654 MBESGPPOUMTCCH-FQEVSTJZSA-N 341.451 5.250 0 50 EKAA Cc1ccc2oc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1 105929 VEDCGZXTHLOTGQ-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA Nc1c(C(=O)c2ccc(Oc3ccccc3)cc2)oc2ccccc12 205983 DXTXQFMRERBLKP-UHFFFAOYSA-N 329.355 5.038 0 50 EKAA Clc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1 2267532 PHKSBMSQMKULOV-UHFFFAOYSA-N 345.833 5.562 0 50 EKAA Cc1ccc(-c2c[nH]cc2C(=O)c2ccc(Cl)c(Cl)c2)cc1 3105307 VGVPQSORJBFZIK-UHFFFAOYSA-N 330.214 5.528 0 50 EKAA CCc1ccccc1Nc1nc(-c2c(C)nc3ccccn23)cs1 4095153 DCWDAVJFTGHVRG-UHFFFAOYSA-N 334.448 5.072 0 50 EKAA Cc1ccc(-n2c([C@@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]c2=S)cc1 6533866 RHXMARFAJZENTK-HZPDHXFCSA-N 341.867 5.163 0 50 EKAA Cc1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cc1Cl 6809899 HKOJAZGUVFUJQK-UHFFFAOYSA-N 327.811 5.193 0 50 EKAA O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1 461549 NKWFPJQFNKTLNE-UHFFFAOYSA-N 338.794 5.776 0 50 EKAA Cc1cc(C)c2c(CC(=O)Nc3cccc(C(F)(F)F)c3)coc2c1 1051032 YYJKKYCLKGHATE-UHFFFAOYSA-N 347.336 5.250 0 50 EKAA CCOc1ccc(C2=C[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 2354522 FLVDLFRBEXZVBB-NRFANRHFSA-N 346.401 5.790 0 50 EKAA COP(=O)(OC)[C@H](Nc1ccc(C)cc1)c1c[nH]c2ccccc12 2495496 XEGWFBTYAOLYSE-SFHVURJKSA-N 344.351 5.073 0 50 EKAA CCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 2783273 UOSPKBOYEHPOSL-UHFFFAOYSA-N 333.762 5.235 0 50 EKAA O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccccc1F 4542168 HEQFOQMDGSTZQW-ZRDIBKRKSA-N 341.769 5.391 0 50 EKAA CCc1ccc(-c2cc(NC3CCCCC3)c3ccccc3n2)cc1 4542552 WRZHCTQVNIRQHT-UHFFFAOYSA-N 330.475 6.209 0 50 EKAA O=C(/C=C/c1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1 6829883 CHUFGZXVWOPONQ-MDWZMJQESA-N 341.332 5.511 0 50 EKAA O=C(CCCOc1ccccc1)Nc1ccc(Nc2ccccc2)cc1 2838949 MUIFTIZHPQQBBX-UHFFFAOYSA-N 346.430 5.228 0 50 EKAA O=C(CSc1ccc2ccccc2c1)Nc1ccccc1Cl 2879559 PCQYYDDMPZJSLR-UHFFFAOYSA-N 327.836 5.224 0 50 EKAA Cc1ccc(-n2c([C@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]c2=S)cc1 6533869 RHXMARFAJZENTK-CVEARBPZSA-N 341.867 5.163 0 50 EKAA C[C@@H](NC(=S)Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 17072492 FPOCUITVEFFLAL-XUXNNNHQSA-N 348.943 5.231 0 50 EKAA CCCCCn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 71746268 SHWDYCMMUPPWQM-UHFFFAOYSA-N 349.518 6.231 0 50 EKAA in-vitro O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCCCCC1 194633 HZXUZPVUQDNHJL-UHFFFAOYSA-N 328.264 5.224 0 50 EKAA Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1Cl 309744 GHAMCDOZRYRMJQ-FQEVSTJZSA-N 348.833 5.420 0 50 EKAA CSc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 453869 LSJGOONAXWNSMY-UHFFFAOYSA-N 333.456 5.179 0 50 EKAA CCc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 1218378 UPKZSDSGPZSIGK-UHFFFAOYSA-N 329.443 5.410 0 50 EKAA CCc1ccccc1NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1787132 UQPSTMNUBLVIQA-UHFFFAOYSA-N 345.870 5.317 0 50 EKAA CCN(CC)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 2069494 GPSBFJRLPVNXIE-UHFFFAOYSA-N 338.495 5.391 0 50 EKAA c1ccc(CNc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 2072432 PGJWNYIYFCXLCJ-UHFFFAOYSA-N 337.426 5.423 0 50 EKAA Cc1ccnc(Nc2nc(-c3ccc(Br)cc3)cs2)c1 4117009 WSCUOJIFIIMACE-UHFFFAOYSA-N 346.253 5.020 0 50 EKAA Clc1ccc(-n2nc(CC3CC3)nc2C2CCC3(CC2)CC3)cc1 1875348583 VZJDLTYYJTWFMI-UHFFFAOYSA-N 341.886 5.311 0 50 EKAA Cc1cc2ncn(C(=O)N(c3ccccc3)c3ccccc3)c2cc1C 553043 OHTZWMJWBCKVSH-UHFFFAOYSA-N 341.414 5.460 0 50 EKAA CCCn1c([C@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 561719 XPHYWHMVNCSALR-MRXNPFEDSA-N 344.458 5.760 0 50 EKAA CCc1cc(=O)oc2cc(OCc3c(C)ccc4ccccc34)ccc12 859576 RHLVQRDPYCRCDM-UHFFFAOYSA-N 344.410 5.396 0 50 EKAA CCCOc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1 1778160 YWUFZMZMFUTKQV-JXMROGBWSA-N 343.854 5.398 0 50 EKAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2)C1 2558439 OVSLLNQOOQSFIV-ZDUSSCGKSA-N 342.508 5.124 0 50 EKAA CCCCc1cc(=O)oc2cc(OCc3ccccc3)c(Cl)cc12 2905854 MPCVIFXMLONADR-UHFFFAOYSA-N 342.822 5.368 0 50 EKAA Cc1noc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12 4541881 POIIXVAOLCUFPN-UHFFFAOYSA-N 328.293 5.370 0 50 EKAA CCCOc1cccc(NC(=O)c2cc(-c3ccccc3)oc2C)c1 5023069 IIHKAKMNBCJEGC-UHFFFAOYSA-N 335.403 5.296 0 50 EKAA S=c1[nH]c(-c2sc3ccccc3c2Cl)nc2ccccc12 18093650 IXUNXSNVBBISON-UHFFFAOYSA-N 328.849 5.827 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 64985067 AJGMLTFVEQRTSG-INIZCTEOSA-N 347.846 5.129 0 50 EKAA CCOc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C 189957 REYHKDDJQHCANI-UHFFFAOYSA-N 348.320 5.186 0 50 EKAA Fc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1F 279555 XEVRPFXVMLUSKY-UHFFFAOYSA-N 325.358 5.156 0 50 EKAA CCCC[C@@H](CC)CO[C@@]1(c2ccccc2)OC(=O)c2ccccc21 4117616 FPODYPBWBOOAMT-VGSWGCGISA-N 338.447 5.291 0 50 EKAA CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OCC 4546847 FAUQJFRSOKONGU-LJQANCHMSA-N 328.537 5.782 0 50 EKAA O=C(CSc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 4581254 XTARDDSYOVQIMI-UHFFFAOYSA-N 343.517 5.174 0 50 EKAA Cc1ccc(C(C)(C)C[C@H](C)NCc2ccc(Cl)c(Cl)c2)o1 5031862 MZRURWRYELJFDS-LBPRGKRZSA-N 340.294 5.741 0 50 EKAA Cc1nc(-c2ccc(-c3ccc(-c4csc(C)n4)cc3)cc2)cs1 84846959 KDRHDICTKGBJEC-UHFFFAOYSA-N 348.496 6.217 0 50 EKAA CCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 278106 CDJQLKUHAZOYMD-WMLDXEAASA-N 332.856 5.071 0 50 EKAA COc1ccc(CC(=O)Nc2ccccc2Sc2ccccc2)cc1 2875994 RZEGHWGIJDRUTP-UHFFFAOYSA-N 349.455 5.028 0 50 EKAA biogenic COc1cccc(OCCCCn2c3ccccc3c3ccccc32)c1 2989841 SIFZSUZMPONGNG-UHFFFAOYSA-N 345.442 5.662 0 50 EKAA COc1cc(Oc2ccnc(Cl)c2)ccc1OCc1ccccc1 40450116 CDHJWHLGYRZADX-UHFFFAOYSA-N 341.794 5.115 0 50 EKAA Cc1cc(C)c(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c(C)c1C 2325899281 YMFPMUAJWPUFJI-UHFFFAOYSA-N 343.883 5.258 0 50 EKAA COc1ccc(-c2nc3ccccc3n2Cc2ccc(C)cc2)cc1 104759 KOTJYSOBVFDHCA-UHFFFAOYSA-N 328.415 5.069 0 50 EKAA Cc1c(Cl)cccc1NC(=O)N[C@H](C)c1ccc(Cl)s1 13745487 ZVRSUKBBBGBTIS-SECBINFHSA-N 329.252 5.246 0 50 EKAA CC1CCN(c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC1 15782062 YQTWGTGUKBMSFT-UHFFFAOYSA-N 347.500 6.190 0 50 EKAA CC1(C)C(Cn2ccnc2-c2ccc([C@H]3CCCCO3)o2)C1(C)C 1857675235 OVZLJKHYUNYGPG-CQSZACIVSA-N 328.456 5.067 0 50 EKAA CC(=O)Nc1ccccc1NC(=O)c1csc(C2CCCCC2)c1 2325869313 IQBQUTKQLLHXCZ-UHFFFAOYSA-N 342.464 5.007 0 50 EKAA COc1ccc(C)cc1NC(=O)c1ccccc1CCc1ccccc1 145333 JHYBKOOSZXXNJH-UHFFFAOYSA-N 345.442 5.041 0 50 EKAA O=C(CSc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 443731 IAYIMZSFMFSDBP-UHFFFAOYSA-N 335.428 5.210 0 50 EKAA CCOc1ccc(C2=C[C@H](c3ccccc3C)c3ccccc3O2)cc1 2267094 UIWRHHVNLHCHEW-JOCHJYFZSA-N 342.438 5.959 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SC(F)F 4948579 RJKUVMLCFYKKQW-UHFFFAOYSA-N 328.771 5.299 0 50 EKAA CC[C@@H](C)c1ccc([C@H](C)NC(=O)Nc2cccc(SC)c2)cc1 13321218 KHNHKLVGGFASDL-CABCVRRESA-N 342.508 5.805 0 50 EKAA Cc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C)nn23)cc1 23114977 IFSHDDFVFRRBRY-UHFFFAOYSA-N 342.446 5.374 0 50 EKAA Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 451185 JYKXJAQSRWVHPG-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1cc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)ccc1Cl 454697 GBOBRTWJRJQALR-HXUWFJFHSA-N 348.833 5.420 0 50 EKAA O=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1c(F)cccc1Cl 1382550 KZQCYAMEZNQTKW-UHFFFAOYSA-N 334.177 5.359 0 50 EKAA CC(C)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 6358823 UEYKVUJCRXXRHA-GMAHTHKFSA-N 342.442 5.365 0 50 EKAA Cc1nc(Nc2ccc(O)cc2)c2cc(-c3ccccc3)sc2n1 12082759 KNNGYNBPDGYIKK-UHFFFAOYSA-N 333.416 5.116 0 50 EKAA Fc1cc(C(F)(F)F)cn2c(-c3c(Cl)cccc3Cl)ncc12 263639805 JPBJAMIHBYCDOF-UHFFFAOYSA-N 349.114 5.466 0 50 EKAA Cc1cccc(NC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)c1 1875317698 IRNHJFXMRZFPNH-KRWDZBQOSA-N 346.430 5.670 0 50 EKAA O=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 133872 RAUJQFHKDGRYKG-UHFFFAOYSA-N 327.733 5.044 0 50 EKAA Clc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(Cl)n2)cc1 2155954 AQZJHGONWWIWAL-UHFFFAOYSA-N 335.621 5.771 0 50 EKAA Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c2ccccc12 2752789 KOZRXVDKJHIJDB-XDHOZWIPSA-N 347.801 5.146 0 50 EKAA O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCCCC1 2871750 TYRGVCCMNTXZFJ-UHFFFAOYSA-N 329.827 5.651 0 50 EKAA Cc1ccc(C(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1C 4426517 YUYMBDLKNMYROL-UHFFFAOYSA-N 346.213 5.378 0 50 EKAA CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2ccc3ccccc3c21 4911067 SRXUIVJIEXUNGB-SFHVURJKSA-N 331.415 5.101 0 50 EKAA Cc1scc(C(=O)Nc2ccc(Cl)cn2)c1-c1ccccc1 13746889 IZBIZEUPEABVOB-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccc(Cl)cc1 19790446 IFOHRIXRQPOHQZ-OAQYLSRUSA-N 347.849 5.726 0 50 EKAA in-vitro C(/C=C\c1ccc(/C=C/C=C/c2ccccc2)cc1)=C/c1ccccc1 71782796 RDXVBJMYWDYESH-NTQRQGTMSA-N 334.462 7.140 0 50 EKAA CC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1 73585 IUKRMLCSMHLRGQ-UHFFFAOYSA-N 328.824 5.410 0 50 EKAA Cc1ccc2nc(-c3ccc(F)cc3)c(NCc3ccccc3)n2c1 319782 GFBQMQHVBDJXCL-UHFFFAOYSA-N 331.394 5.061 0 50 EKAA O=C(Nc1nc2ccccc2s1)Nc1c(Cl)cccc1Cl 397940 VKBJZQZVEBJIER-UHFFFAOYSA-N 338.219 5.247 0 50 EKAA Cc1ccc(C)c(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)c1 477187 LFVUSOGTVBTUBX-UHFFFAOYSA-N 344.458 5.191 0 50 EKAA CCc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H]2CCCCC2=O)cc1 1194991 QYTXXFYVYBVPCX-SFTDATJTSA-N 334.459 5.365 0 50 EKAA Cc1ccccc1NC(=O)Oc1ccc(-c2ccccc2)cc1Cl 1732610 UKMVOWWURGAJAH-UHFFFAOYSA-N 337.806 5.926 0 50 EKAA c1ccc(COc2cccc(CNc3ccc4c(c3)CCC4)c2)cc1 2894039 HJXCBUQUXVGTAR-UHFFFAOYSA-N 329.443 5.366 0 50 EKAA c1cc(C23CC4CC(CC(C4)C2)C3)ccc1OCCN1CCCCC1 4012663 JUNUZBBSTIZNNO-UHFFFAOYSA-N 339.523 5.019 0 50 EKAA S=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 13786478 LENURWBUNABTIV-UHFFFAOYSA-N 331.655 5.456 0 50 EKAA CCc1cccc(CC)c1NC(=O)Nc1ccc(Cl)cc1Cl 398126 IYIABYRCJZVIOJ-UHFFFAOYSA-N 337.250 5.762 0 50 EKAA O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1 450899 FKPFTKYDLVCOJX-UHFFFAOYSA-N 347.389 5.094 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O 4543724 TWSWSIQAPQLDBP-DOFZRALJSA-N 332.528 6.997 0 50 EKAA endogenous,in-man CCC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN12 4854255 CDJQLKUHAZOYMD-YOEHRIQHSA-N 332.856 5.071 0 50 EKAA Clc1ccccc1Nc1nc(-c2ccccc2)c2ccccc2n1 277166 HTHZLCZLIHIAOS-UHFFFAOYSA-N 331.806 5.694 0 50 EKAA CC(C)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 444081 BMPNXVXDWMTQJV-UHFFFAOYSA-N 333.884 5.335 0 50 EKAA O=C(Nc1ccc2ccccc2c1)C(c1ccccc1)c1ccccc1 1055267 ZHHFEZRXIIPLME-UHFFFAOYSA-N 337.422 5.610 0 50 EKAA CCCOc1ccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)cc1 6043581 GTKUXPMPVNLDGL-UHFFFAOYSA-N 335.403 5.006 0 50 EKAA CSc1cccc(NC(=O)NCc2ccc(Cl)cc2Cl)c1 13320108 LCTALAHGRSTRAL-UHFFFAOYSA-N 341.263 5.037 0 50 EKAA Cc1ccccc1-c1cc(-c2ccccc2C)cc(-c2ccccc2C)c1 86036951 SRJLTGIQCDVQIA-UHFFFAOYSA-N 348.489 7.613 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 74920 SGPJOZNJENYLAV-UHFFFAOYSA-N 328.371 5.056 0 50 EKAA COc1ccccc1Oc1ncnc2sc(-c3ccccc3)cc12 91723 XEPDHHCOCONUFH-UHFFFAOYSA-N 334.400 5.159 0 50 EKAA Brc1ccc(N[C@@H](c2ccccc2)c2ccncc2)cc1 198717 KLJWWEBUVKJULJ-SFHVURJKSA-N 339.236 5.046 0 50 EKAA Cc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(F)cc2)cc1 243579 UFZVRHRPIFYOHH-OAQYLSRUSA-N 333.406 5.560 0 50 EKAA Nc1c(-c2ccccc2)cnn1-c1c(Cl)cc(Cl)cc1Cl 302897 GCLGLGYLBGHGHH-UHFFFAOYSA-N 338.625 5.082 0 50 EKAA O=C(CSc1nc2cc(Cl)ccc2s1)c1ccc(F)cc1 472045 LPNBXVXFXPVQAB-UHFFFAOYSA-N 337.828 5.064 0 50 EKAA Cc1cc2c(o1)-c1c(oc3ccc(Br)cc13)CC[C@@H]2C 518155 QPFSYOXDSJTVND-VIFPVBQESA-N 331.209 5.813 0 50 EKAA biogenic Clc1ccc(Sc2ncnc3sc4c(c23)CCCC4)cc1 1786829 XQZZJFXIKDYPOQ-UHFFFAOYSA-N 332.881 5.375 0 50 EKAA Cc1cc(Nc2ccccc2)n2ncc(-c3ccc(Cl)cc3)c2n1 2441034 KBVIEHLVTUBFPM-UHFFFAOYSA-N 334.810 5.102 0 50 EKAA CC(C)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 2496875 SROTWNSQRGPEOS-UHFFFAOYSA-N 329.443 5.658 0 50 EKAA Cc1noc2nc(-c3cccc4ccccc34)cc(C(F)(F)F)c12 20615711 MVFWIBJIMLTVJG-UHFFFAOYSA-N 328.293 5.370 0 50 EKAA CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OC 26577636 ZGQAWLCSJFHXDF-QIOBGPQXSA-N 334.500 5.276 0 50 EKAA in-vitro CCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 55433689 MZWDNWGOALGHNY-GIWBLDEGSA-N 335.491 5.570 0 50 EKAA Cc1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(C)c1 164593052 MICWWOQZKMVFMU-UHFFFAOYSA-N 342.269 7.080 0 50 EKAA CC(C)CC1(CNC(=O)C/C=C/c2ccc(C(C)C)cc2)CCCC1 2325817777 WAJPUMROJKFTRG-BQYQJAHWSA-N 341.539 5.936 0 50 EKAA Cc1sc2ncnc(Sc3ccccc3)c2c1-c1ccccc1 91869 AIOQDNPXSJQDJL-UHFFFAOYSA-N 334.469 5.818 0 50 EKAA CCc1cc2c(=O)c(Oc3ccc(Cl)cc3)c(C)oc2cc1OC 308147 FVAGCSHTWUIXNO-UHFFFAOYSA-N 344.794 5.118 0 50 EKAA CC[C@H]1CCCCN1Cc1cccc(Oc2ccc(Cl)cc2)c1 4987329 ULROMQJNQYTWLK-SFHVURJKSA-N 329.871 5.897 0 50 EKAA CCCC[C@H](CC)COC(=O)/C=C/C(=O)OC[C@H](CC)CCCC 12419645 ROPXFXOUUANXRR-DBERZORGSA-N 340.504 5.062 0 50 EKAA in-vitro Fc1ccc(F)c(NC(=S)Nc2cc(Cl)ccc2Cl)c1 13736928 CUDMLJWYZLWVHW-UHFFFAOYSA-N 333.190 5.081 0 50 EKAA Cc1nc2cc(Cl)cc(Cl)c2c(Br)c1Cl 68135753 ZHRILYHOTWHIQF-UHFFFAOYSA-N 325.420 5.266 0 50 EKAA in-vitro CC(=O)O[C@H]1CCC(C)=CCCC(C)=CC[C@@]2(C(C)C)CC[C@@]1(C)O2 914431222 HVBACKJYWZTKCA-BDTNDASRSA-N 348.527 5.739 0 50 EKAA biogenic,in-vitro Cc1cccc2c(-c3ccc4c(C(F)(F)F)cccc4n3)c[nH]c12 1875390153 YFGJJUABJUEHNM-UHFFFAOYSA-N 326.321 5.710 0 50 EKAA c1ccc2cc(-c3csc(Nc4ccc5c(c4)OCO5)n3)ccc2c1 64307 ZAQATUMNABXJKW-UHFFFAOYSA-N 346.411 5.436 0 50 EKAA C[C@@H]1CCCCN1C(=S)Nc1ccc(Oc2ccccc2)cc1 110368 NXRHVBZRNDQLCU-OAHLLOKOSA-N 326.465 5.050 0 50 EKAA O=C(c1ccccc1)c1cccc2c(C(=O)c3ccccc3)cccc12 2168932 OOSBCICQIJKSIO-UHFFFAOYSA-N 336.390 5.302 0 50 EKAA biogenic,in-vitro c1ccc(CNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 2493692 HMNRCJZEFIFYLS-UHFFFAOYSA-N 337.426 5.423 0 50 EKAA C/C=C/c1ccc(OCCCCOc2ccccc2Cl)c(OC)c1 2986934 NUHGLINISRVMCM-FPYGCLRLSA-N 346.854 5.620 0 50 EKAA c1ccc([C@@H]2CCC[C@@H]2N/C2=N/CCCCCCCCCCC2)cc1 3874172 RTRIXVOSRYRSBP-VXKWHMMOSA-N 340.555 6.225 0 50 EKAA in-vitro C(=C/c1nc(N2CCCCCC2)c2ccccc2n1)\c1ccccc1 4666673 HUFJNHJDTBXYIW-CCEZHUSRSA-N 329.447 5.181 0 50 EKAA Cc1ccc(-c2cnn3c(Nc4cc(C)cc(C)c4)cc(C)nc23)cc1 23115003 NCDZLHFXXLSSMW-UHFFFAOYSA-N 342.446 5.374 0 50 EKAA Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@H]1c1cccc(F)c1 77523633 LCPRQCOXTWBXHO-INIZCTEOSA-N 346.471 5.081 0 50 EKAA CCCn1c([C@@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 561718 XPHYWHMVNCSALR-INIZCTEOSA-N 344.458 5.760 0 50 EKAA CC(C)(c1ccc(N)cc1)c1ccc(C(C)(C)c2ccc(N)cc2)cc1 2556770 HESXPOICBNWMPI-UHFFFAOYSA-N 344.502 5.503 0 50 EKAA in-vitro COC(=O)C[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 5273585 LAWJUFPULQZGLF-XUVXKRRUSA-N 326.565 6.625 0 50 EKAA biogenic Cc1sc(NC(=O)Cc2cccs2)nc1-c1cccc(Cl)c1 16603473 SNUFVUYRSQSGHR-UHFFFAOYSA-N 348.880 5.015 0 50 EKAA CC(C)Cn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 64859654 SUFNWJKOGPQPRZ-UHFFFAOYSA-N 327.427 5.682 0 50 EKAA in-vitro CC(C)Cn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N 100685577 XDPRDOSWJRRMRX-UHFFFAOYSA-N 343.430 5.099 0 50 EKAA Cc1nc2cc(N[C@@H](C)c3ccc(OC(F)(F)F)cc3)ccc2o1 170596186 ONPJILBVMSMBPG-JTQLQIEISA-N 336.313 5.208 0 50 EKAA C[C@@H]1[C@H]2C[C@@H]([C@@H]([C@H](Nc3ccccc3)c3ccccc3)C2=O)C1(C)C 245234331 AFKLAVFLSMAXRE-DRYZZIBHSA-N 333.475 5.337 0 50 EKAA CCC[C@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3F)CC2)CC1 248222017 ICLZCWIEIKVPRB-OJHJNGDYSA-N 338.457 6.984 0 50 EKAA in-vitro CC(C)CN(CC(C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 1021593 YFMWFMCLRQMUIU-WOJBJXKFSA-N 329.528 5.228 0 50 EKAA CCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 4853961 ZVJDYYWBDOZILP-PKOBYXMFSA-N 326.827 5.010 0 50 EKAA Cc1oc(-c2ccc(F)cc2)nc1CN(C)[C@H](C)c1cccs1 12299042 FCKJXFCWVPNXDS-GFCCVEGCSA-N 330.428 5.044 0 50 EKAA C[C@]12CC[C@@]3(CS3)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 253499786 NHSADEZTTCEMTD-KQBFAJRKSA-N 334.569 5.266 0 50 EKAA biogenic COc1ccc(-c2nnc(Oc3ccc(C)cc3)c3ccccc23)cc1 449576 RBENGFWGGDYFDA-UHFFFAOYSA-N 342.398 5.406 0 50 EKAA C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc2ccccc12 453044 APWZCEYXDBGMCQ-AWEZNQCLSA-N 334.394 5.352 0 50 EKAA FC(F)(F)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 17067895 JTSPQCNIUCURES-UHFFFAOYSA-N 330.762 5.168 0 50 EKAA CC(C)CCn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 64859628 ZWFPDRGTGCRWBF-UHFFFAOYSA-N 341.454 6.072 0 50 EKAA in-vitro Clc1ccc(Oc2ccc(NC[C@@H]3CC[C@H]4C[C@@H]4C3)cc2)nc1 2325864671 VYYLDJIAQITFGE-ILXRZTDVSA-N 328.843 5.375 0 50 EKAA CCc1ccc(C(=O)C[C@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 1194989 QYTXXFYVYBVPCX-NHCUHLMSSA-N 334.459 5.365 0 50 EKAA O=C(Nc1ccc(NCc2cccs2)cc1)c1cccc(Cl)c1 4866009 QCWMNRXHRDZOQP-UHFFFAOYSA-N 342.851 5.266 0 50 EKAA Fc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1 5124098 GJCNMVXIUMVYDI-UHFFFAOYSA-N 349.228 5.455 0 50 EKAA CC(C)=CCC[C@@H](C)CCN1CCN(C/C=C/c2ccccc2)CC1 19609064 XIVVTWFPFOCLTP-MKGTUJQCSA-N 340.555 5.090 0 50 EKAA Cc1ccc([C@H](c2ccccn2)[C@](C)(O)c2cccc(Cl)c2)cc1 71767210 GXWLUVGEADLUOI-NHCUHLMSSA-N 337.850 5.083 0 50 EKAA CC(C)(C)Oc1cccc(-c2ccc(C(F)(F)F)c(Cl)c2)n1 1875326853 PBBRWVDKSSRZOU-UHFFFAOYSA-N 329.749 5.598 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 31492 RGFYWKFTWCFKRY-ZDUSSCGKSA-N 333.884 5.584 0 50 EKAA Cc1cc(C)c(NC(=O)COc2ccc(C(C)C)cc2)c(Cl)c1 145281 USIJPZGHQIIYAX-UHFFFAOYSA-N 331.843 5.098 0 50 EKAA Cc1ccc([C@@H](CC(=O)Nc2ccccc2C)c2ccccc2)c(O)c1 302451 AHUULHCJFARUPQ-FQEVSTJZSA-N 345.442 5.170 0 50 EKAA Cc1cccc(C)c1NC(=O)Nc1cc(Cl)c(Cl)cc1Cl 398114 HPOVZQPIZGSEGI-UHFFFAOYSA-N 343.641 5.908 0 50 EKAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 1066431 UUYWMXAAWSSKRY-NSHDSACASA-N 340.275 5.421 0 50 EKAA CSc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1 4517437 MTCGWXHSATVQCA-UHFFFAOYSA-N 335.428 5.453 0 50 EKAA Cc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1F 13320153 ZDLKKVQLJVHJCC-UHFFFAOYSA-N 334.394 5.045 0 50 EKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(Cl)cnc21 169794185 JUZAIMKYOWCVOY-UHFFFAOYSA-N 343.374 6.367 0 50 EKAA c1ccc(CCC[C@H]2CCCN(c3cc4ccccc4cn3)C2)cc1 2325842365 WDOSEJBCBPWXAO-FQEVSTJZSA-N 330.475 5.474 0 50 EKAA O=c1oc2cc(OCc3ccc4ccccc4c3)ccc2c2c1CCC2 305332 LNLPLBHJGUWXHW-UHFFFAOYSA-N 342.394 5.014 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)CCSc1ccc(Cl)cc1 381679 XHKYJBAYZVDWLF-UHFFFAOYSA-N 340.275 5.423 0 50 EKAA COc1ccc(C2=Nc3ccccc3N[C@H](c3ccc(F)cc3)C2)cc1 446745 NOUCOUVYMVAQCT-NRFANRHFSA-N 346.405 5.512 0 50 EKAA Clc1ccccc1COc1ccc(-c2cnc3ccccc3n2)cc1 567032 DTNFAGHEDXAIAF-UHFFFAOYSA-N 346.817 5.529 0 50 EKAA CC(C)(C)c1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1027621 IFMQCADAOIQPRX-UHFFFAOYSA-N 338.234 5.902 0 50 EKAA CC(C)C[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 5908304 LCHSWDMQWYVJNC-MAUKXSAKSA-N 346.883 5.317 0 50 EKAA FC(F)(F)[C@@H](O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 22342341 IRCMZJMLDNJTEV-OKILXGFUSA-N 334.259 5.610 0 50 EKAA Cc1cccc(NC(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)c1 1875317699 IRNHJFXMRZFPNH-QGZVFWFLSA-N 346.430 5.670 0 50 EKAA O=C(Nc1ccc(Cl)c(C(F)F)c1)[C@@H]1C[C@@H]1Cc1ccccc1 1875362535 JFCZVXZUUVFQAJ-GXTWGEPZSA-N 335.781 5.095 0 50 EKAA Cc1cccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 250156 BRQMNQVLOXDARW-UHFFFAOYSA-N 344.773 5.003 0 50 EKAA Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(F)cc1 1390132 LOSJQRLEWCEJFS-UHFFFAOYSA-N 343.448 5.233 0 50 EKAA CC(C)c1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 8830930 ZRJQAJZQGSMBBU-UHFFFAOYSA-N 341.794 5.338 0 50 EKAA COc1ccc(-c2ccc(-c3nc(Cc4ccccc4)no3)cc2)cc1 333433 SEXCJZBFYAHSSJ-UHFFFAOYSA-N 342.398 5.003 0 50 EKAA Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1Cl 402137 FBPNUDKIQXMBAX-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA CC[C@@H](C)c1ccccc1NC(=S)Nc1ccc(C(C)=O)cc1 611564 VDFSDOGWKZUXOT-CYBMUJFWSA-N 326.465 5.212 0 50 EKAA CC(C)CN(CC(C)C)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 1021592 YFMWFMCLRQMUIU-UXHICEINSA-N 329.528 5.228 0 50 EKAA C[C@H](NC(=O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2 1071949 XPPSFAFSBCYUAC-INIZCTEOSA-N 329.443 5.210 0 50 EKAA Cc1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c(C)c1 1233534 KNVHWTZJOUPEHQ-OAQYLSRUSA-N 341.454 5.248 0 50 EKAA CCc1ccc(C(=O)CCSc2ccc(Br)cc2)cc1 2531721 OPORUYMEMFEWCD-UHFFFAOYSA-N 349.293 5.377 0 50 EKAA CC(C)(C)c1cc(SCCc2ccncc2)cc(C(C)(C)C)c1 8657743 XTMVNVXQYFEYKN-UHFFFAOYSA-N 327.537 6.011 0 50 EKAA O=C(Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1)c1ccccc1 13281354 CLDMSRWASLFPSX-UHFFFAOYSA-N 349.433 5.841 0 50 EKAA CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN12 13616601 CDJQLKUHAZOYMD-PBHICJAKSA-N 332.856 5.071 0 50 EKAA CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 93657 NJCVQJKPRDNTHF-UHFFFAOYSA-N 338.234 5.134 0 50 EKAA CC(C)COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 262189 NCXSIWGNJPRKRC-UHFFFAOYSA-N 338.234 5.281 0 50 EKAA CCc1cc2c(=S)c(-c3ccccc3Cl)coc2cc1OC 311061 WTXJWLVRQCLAJA-UHFFFAOYSA-N 330.836 6.054 0 50 EKAA biogenic Cc1cc2oc(C(=O)Nc3cccc(Cl)c3Cl)c(C)c2cc1C 617911 VOEDHSPXKIZRFJ-UHFFFAOYSA-N 348.229 5.917 0 50 EKAA CC(C)c1ccc(OCC(=O)Nc2ccccc2C(C)(C)C)cc1 318160 ODFPDNLCBZFTGV-UHFFFAOYSA-N 325.452 5.125 0 50 EKAA O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(-c2ccccc2)cc1 448983 NOVXXWHRCCQHIE-UHFFFAOYSA-N 349.389 5.307 0 50 EKAA c1ccc(CCc2ccccc2-c2nc(-c3ccccc3)no2)cc1 1064385 ZBEQNPWXGLIYRY-UHFFFAOYSA-N 326.399 5.189 0 50 EKAA CCOc1ccc(C2=C[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 2354524 FLVDLFRBEXZVBB-OAQYLSRUSA-N 346.401 5.790 0 50 EKAA O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)Cc1ccco1 4858350 PGWSZVRBPMNHMQ-UHFFFAOYSA-N 340.810 5.167 0 50 EKAA CC(C)(C)c1cc(CS(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1 45027930 HOOVZUDFSFXSRY-UHFFFAOYSA-N 344.520 5.256 0 50 EKAA Cc1nccc(SCc2cc(O)cc(C(F)(F)F)c2)c1Cl 2325874707 XXVMEEVDIRYVJU-UHFFFAOYSA-N 333.762 5.060 0 50 EKAA Cc1sc(NC(=O)c2cccs2)nc1-c1cccc(Cl)c1 151136 WCCSTYIAICJURU-UHFFFAOYSA-N 334.853 5.086 0 50 EKAA CCc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1 2839843 KNLDGCUHBRRHEV-UHFFFAOYSA-N 331.415 5.080 0 50 EKAA CCCOc1ccc(N[P@](C)(=O)Oc2ccc(Cl)cc2)cc1 4320637 LCEDJXCIWZFOMA-JOCHJYFZSA-N 339.759 5.443 0 50 EKAA Cc1ccc(C(C)(C)C[C@H](C)N[C@H](C)c2cccc3ccccc23)o1 5031805 NPORLOPTWBLJAH-FUHWJXTLSA-N 335.491 6.148 0 50 EKAA Clc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 90487130 AJSOWJLBAVMDJX-UHFFFAOYSA-N 342.829 6.131 0 50 EKAA in-vitro CC1CCC(CC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CC1 1875357596 MXGOWIKNIAARLI-UHFFFAOYSA-N 333.520 5.091 0 50 EKAA CC(C)(Cc1ccccc1Cl)Nc1ncnc2cc(Cl)ccc12 2325814959 YIWHWLJOGJMGOO-UHFFFAOYSA-N 346.261 5.370 0 50 EKAA COc1cccc(OCCCCOc2ccc(Cl)cc2Cl)c1 2904631 YZGVCHRNHRSUQZ-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA CC1(C)Cc2cccc(OCc3csc(-c4ccccc4)n3)c2O1 4786725 OZHDRHDAKAAHAJ-UHFFFAOYSA-N 337.444 5.103 0 50 EKAA Cc1ncc2c(c1-c1nnc(-c3ccc(Cl)cc3)o1)CCCCC2 72447041 SQOIYPAFBRJKEK-UHFFFAOYSA-N 339.826 5.029 0 50 EKAA O=C(Nc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 275351 UMJAIBMMAFVVNQ-UHFFFAOYSA-N 336.822 5.251 0 50 EKAA COc1ccc(Cl)cc1NC(=O)Nc1ccc(C(F)(F)F)cc1 612182 ULFALJZRTLQZRS-UHFFFAOYSA-N 344.720 5.011 0 50 EKAA Clc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 3997956 ZSXWSZNBTUSCND-NRFANRHFSA-N 332.834 5.696 0 50 EKAA CCc1ccccc1Nc1nc(-c2ccc(OC)c(OC)c2)cs1 4123322 SJEWATBHIPTHPG-UHFFFAOYSA-N 340.448 5.133 0 50 EKAA CC(C)(C)c1cc([S@@](=O)CCc2cccnc2)cc(C(C)(C)C)c1 22339602 JCSBIVZQRGGWAM-XMMPIXPASA-N 343.536 5.027 0 50 EKAA CC(C)CNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 27586085 JCJCKCUKHXOJDE-UHFFFAOYSA-N 342.446 5.131 0 50 EKAA Fc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2325720326 IVMXHVILVZUHQT-UHFFFAOYSA-N 339.222 6.000 0 50 EKAA O=c1n(Cc2ccc(C3CCCCC3)cc2)c2ccccc2n1C1CC1 2325863341 FMWYRVALXNIJMB-UHFFFAOYSA-N 346.474 5.234 0 50 EKAA Cc1c(C(=O)Nc2ccc(Cl)cc2)csc1-c1ccccc1 309205 WWSZCNJWYWOTFW-UHFFFAOYSA-N 327.836 5.629 0 50 EKAA Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4)c3)oc2cc1C 434792 YNVHHPFPAOTDLW-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA O=C(N[C@H](c1ccccc1)C1CCCC1)c1cccc2ccccc12 1071952 PZMWZYNZSBHKHW-JOCHJYFZSA-N 329.443 5.501 0 50 EKAA Cc1ccc(C(c2ccc(C)o2)c2ccccc2Br)o1 3846755 UPMZMVADMDLJID-UHFFFAOYSA-N 331.209 5.432 0 50 EKAA biogenic CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(=O)O 8689964 YCRHZEHWEYAHCO-HZJYTTRNSA-N 337.504 5.001 0 50 EKAA in-vitro CC(C)c1cc(Nc2ccccc2)n2ncc(-c3ccccc3)c2n1 23114904 XKVBUGMOHMZJEG-UHFFFAOYSA-N 328.419 5.263 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCC(=O)O 34961942 OZXAIGIRPOOJTI-VPNHEHDPSA-N 344.495 5.520 0 50 EKAA in-vitro O=C1C[C@H](c2ccccc2C(F)(F)F)c2ccc3ccccc3c2N1 195255 BJSQZALPXFVENL-MRXNPFEDSA-N 341.332 5.333 0 50 EKAA CCc1cccc(OCCCCOc2cccc3ccc(C)nc23)c1 2823460 NPWVEZVSBKUXEG-UHFFFAOYSA-N 335.447 5.344 0 50 EKAA Clc1ccc(-c2csc(NCc3ccco3)n2)cc1Cl 2861717 BQDDAZNOOCSJFD-UHFFFAOYSA-N 325.220 5.322 0 50 EKAA CCc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1 15866974 RYTWMYUHRDMPFC-KRWDZBQOSA-N 328.481 5.460 0 50 EKAA CCC(CC)[C@@H]1Nc2c(C(=O)O)cc(Cl)cc2[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 197191911 CQASREBRZYVQSE-CIIZFGMBSA-N 347.886 5.398 0 50 EKAA Cc1cc(C)c(C)c(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c1C 2325898955 GNJQWWIWDJMYDA-UHFFFAOYSA-N 343.883 5.258 0 50 EKAA O=C1C[C@H](c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c2N1 83027 XVFLUZIYTMVHHZ-QGZVFWFLSA-N 341.332 5.333 0 50 EKAA CCC(CC)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 433814 LIUAMQFNEYGWHD-UHFFFAOYSA-N 343.279 5.492 0 50 EKAA Cc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1C 2521026 PYSOJQNMVFRGBY-WYMLVPIESA-N 343.426 5.748 0 50 EKAA O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccco1)c1ccccc1 4701785 WVTXILZPSZZETA-CJLVFECKSA-N 339.394 5.612 0 50 EKAA CCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 99619 QKOQYIGRGHAECT-UHFFFAOYSA-N 335.234 5.332 0 50 EKAA CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 469847 VQLVDPUFSSWMGE-CYBMUJFWSA-N 347.911 5.584 0 50 EKAA ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl 1680374 DMZRCHJVWAKCAX-UHFFFAOYSA-N 343.679 5.211 0 50 EKAA in-vitro Cc1ccc(C(C)C)c(OCCOc2cccc3ccc(C)nc23)c1 3001966 PYDIRKCZZNVQGK-UHFFFAOYSA-N 335.447 5.433 0 50 EKAA COc1ccc(C)cc1NC(=O)c1ccccc1Oc1ccccc1 303892 CKPOOBOFOYJAEB-UHFFFAOYSA-N 333.387 5.048 0 50 EKAA Cc1ccc(F)c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 373946 RGIIDSULNCDYSO-XDJHFCHBSA-N 331.390 5.313 0 50 EKAA COc1cc(C)ccc1OCCCOc1cc(C)c(Cl)c(C)c1 2985882 VMBGLTWUEGYREN-UHFFFAOYSA-N 334.843 5.122 0 50 EKAA Clc1ccccc1Cn1c(/C=C/c2ccccc2)nc2ccccc21 4002583 KNIZKJNWTXZXJU-CCEZHUSRSA-N 344.845 5.908 0 50 EKAA Cc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1C 20394586 BQHJOJSZJGIKMD-LBPRGKRZSA-N 337.250 5.493 0 50 EKAA c1ccc(C[C@H]2[C@@H]3[C@@H]4CC[C@H]5[C@@H]4[C@@H]4[C@@H]3[C@H]3[C@@H]2[C@@H]2CC[C@H]6[C@H]5[C@H]4[C@H]3[C@H]62)cc1 257359118 YNVBYFVPGWTHNA-NGITVUPZSA-N 342.526 5.141 0 50 EKAA Cc1cc(NCCCc2ccc(C(C)C)cc2)c2ccc(O)cc2n1 2325853148 FPAUTXXMEPTFBZ-UHFFFAOYSA-N 334.463 5.417 0 50 EKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 281590 ZRYHFJRGOCQDKS-ZDUSSCGKSA-N 341.863 5.613 0 50 EKAA Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(Cl)c1 308696 PTTNDSLTQJCLLK-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA CSc1ccc(NC(=O)N(Cc2ccccc2)c2ccccc2)cc1 399753 RUBCADPSJRTSMK-UHFFFAOYSA-N 348.471 5.647 0 50 EKAA Fc1cccc(Cl)c1Cn1c(-c2cncs2)nc2ccccc21 610127 MPIWFRAOCNXFIY-UHFFFAOYSA-N 343.814 5.001 0 50 EKAA CC(C)[C@@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 71746309 WMDLKBSZYZXZFI-QGZVFWFLSA-N 341.454 6.243 0 50 EKAA in-vitro Brc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1 71863586 PPYIZNYOMNYZCG-UHFFFAOYSA-N 349.231 5.455 0 50 EKAA in-vitro CN(c1nc(-c2ccccc2F)nc2ccccc12)C1CCCCC1 2205150 OHPGCMWDFOTRNL-UHFFFAOYSA-N 335.426 5.205 0 50 EKAA COc1cc(C)ccc1OCCCCOc1ccc(Cl)cc1C 2984798 OPBLYRRVAJXDLR-UHFFFAOYSA-N 334.843 5.203 0 50 EKAA CC[n+]1c(/C=C/C=C/C=C/N(C)C)sc2ccc3ccccc3c21 685944541 LLFJWXITTYEATJ-UHFFFAOYSA-N 335.496 5.007 0 50 EKAA CCC[C@H](NCc1cncs1)c1ccc(Oc2ccccc2)cc1 2325734856 HQRLUBYVTLDZIE-FQEVSTJZSA-N 338.476 5.566 0 50 EKAA O=C(CCC1CCCCC1)Nc1ccc(OCc2ccccc2)cc1 312243 ZAHFFOFOQQJRDH-UHFFFAOYSA-N 337.463 5.565 0 50 EKAA Cc1ccc(C)c(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 508820 WIULPWWDLOADLH-UHFFFAOYSA-N 346.430 5.065 0 50 EKAA Cc1ccc2c(NC(=O)c3ccc(Cl)cc3Cl)cccc2n1 6730089 QHJFGASTGOKXSK-UHFFFAOYSA-N 331.202 5.102 0 50 EKAA O=C(Nc1ncccc1-c1ccccc1)c1ccccc1C(F)(F)F 179467279 BJFDVFLHYKYHGC-UHFFFAOYSA-N 342.320 5.020 0 50 EKAA O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cccs1 1875254868 XSWKTOHUFCBYGJ-UHFFFAOYSA-N 339.260 5.038 0 50 EKAA Cc1c(Cl)c(Br)c(C)c(Cl)c1Br 390980 UOIQDWZPSSWHOS-UHFFFAOYSA-N 332.850 5.135 0 50 EKAA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1Cl 452074 YKJYIHOKCPZKPY-UHFFFAOYSA-N 349.261 5.236 0 50 EKAA COc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccccc2)cc1 476660 YFYQEDXUPGIQJG-OAQYLSRUSA-N 331.415 5.121 0 50 EKAA c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1 2835943 LJORNVMNGIQRQX-UHFFFAOYSA-N 345.445 6.965 0 50 EKAA Clc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 3997958 ZSXWSZNBTUSCND-OAQYLSRUSA-N 332.834 5.696 0 50 EKAA S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1-c1cccc(Cl)c1 4983351 WXWKJCGKQAJCNF-UHFFFAOYSA-N 345.899 5.051 0 50 EKAA Cc1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1C 17072106 KBJRPFFTLMSDQQ-UHFFFAOYSA-N 346.430 5.526 0 50 EKAA Clc1cc(Br)cc(Cl)c1OCc1ccccc1 38537423 IFBZRCLFOBNPKB-UHFFFAOYSA-N 332.024 5.335 0 50 EKAA in-vitro c1cc(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1 71782709 NLUPODAZKLAMMC-UHFFFAOYSA-N 330.430 7.327 0 50 EKAA COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1O 2879175 FDJSTWWSLKIVSN-UHFFFAOYSA-N 342.398 5.125 0 50 EKAA Brc1ccc2c(c1)oc1cc(Br)ccc12 3161367 GBCYJXFJGQKMPY-UHFFFAOYSA-N 325.987 5.111 0 50 EKAA Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(C)c1 4542681 QANXAFKGEKCNFX-UHFFFAOYSA-N 325.795 5.469 0 50 EKAA OC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 4582410 YIQKLMVZSXYWOD-UHFFFAOYSA-N 336.434 5.638 0 50 EKAA CC(C)C[C@H](NCC1(c2cccc(Cl)c2)CC1)c1ccccn1 1875336757 GMDOZGQKYDPGBD-IBGZPJMESA-N 328.887 5.144 0 50 EKAA Cc1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1C 1051274 AMQKCJCIRWFKQM-JOCHJYFZSA-N 341.454 5.248 0 50 EKAA c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)c1 4854228 LZHWXQRBTSDFEJ-PXNSSMCTSA-N 338.476 5.198 0 50 EKAA Fc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3F)C2)cc1 5018238 BVOJLJSXCSNBMN-NRFANRHFSA-N 334.369 5.321 0 50 EKAA C[C@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@H]3[C@@H]21 229894904 MULDAFDMOJEJEP-WKHGPKRUSA-N 336.475 5.382 0 50 EKAA biogenic Cc1ccc(N2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1 334163631 ZIMAKXCLEZVJPA-JOCHJYFZSA-N 338.410 5.226 0 50 EKAA CSc1cccc2c1CN(Cc1csc(Cl)c1Cl)CC2 2325823490 VAYZWOJOBFJREV-UHFFFAOYSA-N 344.332 5.335 0 50 EKAA CC(=O)c1cc(C(=O)c2ccccc2)sc1Nc1ccc(C)cc1 432469 VICIILCGHNTVTC-UHFFFAOYSA-N 335.428 5.234 0 50 EKAA C/C=C/c1ccc(OCCCCOc2cc(C)ccc2C)c(OC)c1 2985560 LPJWXWAOFKHLFN-VMPITWQZSA-N 340.463 5.583 0 50 EKAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 36619741 YXWIVQFTBUVBPG-SFHVURJKSA-N 344.842 5.108 0 50 EKAA Cc1cc(OCc2c(Cl)cccc2Cl)c2c(C)cc(=O)oc2c1 608459 QGNQYTGOFLTBIF-UHFFFAOYSA-N 349.213 5.296 0 50 EKAA biogenic Clc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1 136540629 FZOIFXXPBLTVIG-UHFFFAOYSA-N 340.853 7.341 0 50 EKAA in-vitro O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl 60027 LALCNUJGTNKKRY-UHFFFAOYSA-N 342.225 5.913 0 50 EKAA O=C(c1ccccc1)[C@@H](c1ccccc1)n1nccc1-c1ccccc1 390858 MARNTTZITCGWBM-JOCHJYFZSA-N 338.410 5.022 0 50 EKAA COc1cc(Cl)ccc1NC(=O)Oc1cccc2ccccc12 401675 WQNSDDWCFOHIRM-UHFFFAOYSA-N 327.767 5.113 0 50 EKAA CCCC(CCC)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 619094 RYKDRTPJWHFFGR-UHFFFAOYSA-N 344.480 5.155 0 50 EKAA Cc1ccc2nc(-c3ccc(Cl)cc3Cl)c(C)c(C(=O)O)c2c1 2785456 QYNHJURVSFUTQJ-UHFFFAOYSA-N 346.213 5.524 0 50 EKAA CCCOC(=O)c1ccc(Nc2cc(C)nc3c(C)cc(C)cc23)cc1 5808125 ALAGTVIKWYNGKU-UHFFFAOYSA-N 348.446 5.470 0 50 EKAA Cc1cc(=O)oc2c(C)c(OCc3cccc(C(F)(F)F)c3)ccc12 616137 NBANBXANYLDNJU-UHFFFAOYSA-N 348.320 5.008 0 50 EKAA Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1 2516093 LAHWLEDBADHJGA-UHFFFAOYSA-N 326.437 6.621 0 50 EKAA biogenic O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1Cl 2746859 YZLSHBODKWDAFE-UHFFFAOYSA-N 349.861 5.292 0 50 EKAA Fc1ccccc1OCCCCn1c2ccccc2c2ccccc21 2988886 DNFDVBHGZBABIC-UHFFFAOYSA-N 333.406 5.793 0 50 EKAA Cc1cc(C)cc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)c1 3876430 NGMJJGDIBMUKHV-UHFFFAOYSA-N 341.414 5.099 0 50 EKAA CCC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN12 4853963 ZVJDYYWBDOZILP-HKUYNNGSSA-N 326.827 5.010 0 50 EKAA CC(C)(C)c1cc([S@](=O)CCc2cccnc2)cc(C(C)(C)C)c1 22339606 JCSBIVZQRGGWAM-DEOSSOPVSA-N 343.536 5.027 0 50 EKAA CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c(F)c1 95931434 XOGPWSCWTHCEKH-UHFFFAOYSA-N 344.351 6.530 0 50 EKAA in-vitro c1cc(-c2nc3ccccc3s2)nc(-c2nc3ccccc3s2)c1 235368 MGFUKPXFSVDCKT-UHFFFAOYSA-N 345.452 5.635 0 50 EKAA COc1cc(CNc2cccc(F)c2)ccc1OCc1ccccc1 279747 GFXIHUPBWNKMMP-UHFFFAOYSA-N 337.394 5.025 0 50 EKAA Cc1ccc2cc(C)c(Nc3ccc(Br)cc3)nc2c1 312096 WIHCNPYUUPPCBB-UHFFFAOYSA-N 327.225 5.358 0 50 EKAA COc1ccc(/C=C(/C(=O)Nc2ccccc2F)c2ccccc2)cc1 319053 WTUSVIDHPPLARY-XDJHFCHBSA-N 347.389 5.014 0 50 EKAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 610482 FGVXADMAGYDRAZ-NSHDSACASA-N 340.275 5.421 0 50 EKAA CCCCOC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 1770725 ZFODAZZVXNLHSX-UHFFFAOYSA-N 340.448 5.620 0 50 EKAA CC(C)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 1773577 AIDLRVZPHMZBGM-UHFFFAOYSA-N 331.843 5.261 0 50 EKAA CCCC[C@@H](CC)CO[C@]1(c2ccccc2)OC(=O)c2ccccc21 4117618 FPODYPBWBOOAMT-VGOFRKELSA-N 338.447 5.291 0 50 EKAA CCN(Cc1ccccc1)C(=O)/C(=C/c1ccccc1)c1ccccc1 4949323 QAZHJGFZXQVWBN-PTGBLXJZSA-N 341.454 5.276 0 50 EKAA Nc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N)cc21 34552057 GXXFPQGHCPOFSD-UHFFFAOYSA-N 346.433 5.195 0 50 EKAA CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Cl 36621217 AHPSMKRCKJEKLF-KRWDZBQOSA-N 344.842 5.108 0 50 EKAA C[C@@H]1CC(Cn2c(=O)n(C3=CCCCC3)c3ccccc32)C[C@@H](C)C1 1875357442 HPJGEWZKUCQBIK-IRXDYDNUSA-N 338.495 5.290 0 50 EKAA CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)NC1CCCCC1 169690 GPZCQLVDOXLYQT-UHFFFAOYSA-N 342.483 5.130 0 50 EKAA CC[C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 311008 JNJQRKJKAKAIGL-OAQYLSRUSA-N 330.431 5.563 0 50 EKAA Clc1ccccc1CNc1ccc(-c2nc3ccccc3[nH]2)cc1 360609 RODCOTBNPAPUCR-UHFFFAOYSA-N 333.822 5.495 0 50 EKAA COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1C 452909 HYEIQJVUEWOKEV-UHFFFAOYSA-N 333.431 5.118 0 50 EKAA CCCOc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526038 ZDWNEAJELOWVML-UHFFFAOYSA-N 341.794 5.042 0 50 EKAA Clc1cccc(Cl)c1N=P1(N2CC2)Oc2ccccc2O1 4530622 USOHGYLATZKINN-UHFFFAOYSA-N 341.134 5.358 0 50 EKAA COc1cc(C2SCCCS2)ccc1OCc1ccccc1 4566038 RFHQMIDUVXKSTF-UHFFFAOYSA-N 332.490 5.143 0 50 EKAA Cc1cccc(-c2nc(Nc3ccc(O)cc3)c3ccccc3n2)c1 9320394 UQNNTLJQMUOLIR-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA Cc1cccc(NC(=O)N2CCCCC[C@H]2c2cccs2)c1C 15866982 CSQJVGXBOZXHFW-KRWDZBQOSA-N 328.481 5.514 0 50 EKAA CC(C)[C@@H](C)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746303 JERJAAHYNIGGSX-QGZVFWFLSA-N 341.454 6.243 0 50 EKAA in-vitro Cc1ccc(C2=N[C@H](C3CCCCC3)N3[C@H]2[C@@H]3c2ccccc2)cc1 254841247 SGSXNGZQSDWDQD-PFXKXOGNSA-N 330.475 5.130 0 50 EKAA CC(C)c1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 91523 RLBSLDIHQXYVIP-UHFFFAOYSA-N 328.799 5.092 0 50 EKAA CC(C)c1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 409652 VNOJLQKLDZEPPC-UHFFFAOYSA-N 338.495 6.701 0 50 EKAA CCc1cccc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1 473613 DGZGIAVKSMWWBI-UHFFFAOYSA-N 329.852 5.678 0 50 EKAA Clc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 2497303 YHWXEJBWAYAHNP-UHFFFAOYSA-N 332.790 5.724 0 50 EKAA Cc1nc(SCc2ccc(Cl)cc2)c2c3c(sc2n1)CCC3 4313347 LOEBFPPGUMGRJJ-UHFFFAOYSA-N 346.908 5.434 0 50 EKAA Cc1ccc(Cl)c2c1[C@H]1c3ccccc3[C@H]2c2cccc(Cl)c21 101012846 OSXQVWISCSVXAF-AZUAARDMSA-N 337.249 6.289 0 50 EKAA COc1ccc(OC)c(C[C@@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@H]2C)c1 248342608 YNTBOVIYSGWPEU-ULLYJBBUSA-N 342.523 6.045 0 50 EKAA CCc1cc(=O)oc2cc(C)c3c(-c4cccc(OC)c4)coc3c12 95482 NHHVRHIRXOMYJB-UHFFFAOYSA-N 334.371 5.086 0 50 EKAA biogenic Cc1ccc(-c2nc(Nc3cccc(F)c3)c3ccccc3n2)cc1 431703 VSCNVVKKOGQCGE-UHFFFAOYSA-N 329.378 5.488 0 50 EKAA Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(Br)c1 474924 IJMNDTSCUAZHRX-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA aggregator O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccc(Cl)cc1 2895896 JMMGOXQUYVKSFX-VOTSOKGWSA-N 333.818 5.763 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC)cc3)ccc21 2896194 USJQBEQFVWCMRW-UHFFFAOYSA-N 344.414 5.075 0 50 EKAA Cc1ccc(CCCCc2ccc(CCc3ccc(C)cc3)cc2)cc1 3136847 VHNMMKXCQZCLST-UHFFFAOYSA-N 342.526 6.654 0 50 EKAA O=C(CCc1ccc(-c2cccc(Cl)c2)o1)Nc1ccccc1 4541861 MGAAOQMCQNSBOO-UHFFFAOYSA-N 325.795 5.171 0 50 EKAA CCCCc1cc(=O)oc2cc(OCc3ccccc3Cl)ccc12 4724932 YVZUAPFKQUWYIS-UHFFFAOYSA-N 342.822 5.368 0 50 EKAA C=C1c2cc(CC)ccc2NC(=O)N1c1ccc(Br)cc1 9348924 NJIDCRAWSZMQTL-UHFFFAOYSA-N 343.224 5.034 0 50 EKAA C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CS1 253499880 QOPVNDPJLOUFPN-QZKMNVBMSA-N 346.580 5.432 0 50 EKAA biogenic O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2N1 110001 QGLWRNJZDVCKRS-QGZVFWFLSA-N 341.332 5.333 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F 182099 HDHWTXIYZIBNFS-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA COc1ccc(C[C@@H](C)N[C@H](C)c2cccc3ccccc23)cc1OC 217435 PUWIKFREHDQCHT-IAGOWNOFSA-N 349.474 5.139 0 50 EKAA CCOC(=O)c1c(C)nc2sc(C)c(C)c2c1-c1ccccc1 873036 MJOZVGYYMTWJKD-UHFFFAOYSA-N 325.433 5.065 0 50 EKAA CCc1cccc2c(C(=O)C(F)(F)F)cn(Cc3ccccc3F)c12 2837825 APYQQBUXOFXBQI-UHFFFAOYSA-N 349.327 5.136 0 50 EKAA CCCCCC[C@H](C)Nc1ccc(N[C@@H](C)CCCCCC)cc1 3873452 APTGHASZJUAUCP-PMACEKPBSA-N 332.576 7.228 0 50 EKAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cccc(CC2CCC2)c1 2325841955 KTXVHHYOUYRWMA-OAQYLSRUSA-N 337.507 5.734 0 50 EKAA CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ccccc13)O2 47459 CQTRKDFIQFOAQV-JOCHJYFZSA-N 328.415 5.058 0 50 EKAA aggregator,in-vitro Fc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1 293606 RUCVMRYKYXDIIC-UHFFFAOYSA-N 349.228 5.455 0 50 EKAA Cc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1C 434778 NBLHVKNDFWIZTN-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA CC[C@H](C)c1ccc(NC(=S)Nc2cccc(C(C)=O)c2)cc1 612029 DWTSZPWGKAVMCC-ZDUSSCGKSA-N 326.465 5.212 0 50 EKAA Cc1ccc(SCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 2842094 UNYXIEJSLPPOMS-UHFFFAOYSA-N 347.483 5.184 0 50 EKAA Cc1c(C(=O)Nc2nc3ccc(Cl)cc3s2)oc2ccccc12 2875469 KVDZOAHKXPUJJH-UHFFFAOYSA-N 342.807 5.257 0 50 EKAA C1=CC(c2ccccc2)(c2ccccc2)Oc2ccc3ccccc3c21 3087174 UBNNJVRNPJVYBU-UHFFFAOYSA-N 334.418 6.189 0 50 EKAA Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)O)c2c1 6255317 QEKRJLYSAKVGEV-UHFFFAOYSA-N 325.795 5.179 0 50 EKAA Cc1ccc(C)c(-n2c(S)nnc2-c2csc(C(C)C)c2)c1 6533783 OMVYRYKEEPLFEC-UHFFFAOYSA-N 329.494 5.025 0 50 EKAA C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)s1 13744549 CSNVHJUQPFCXFU-SSDOTTSWSA-N 333.215 5.077 0 50 EKAA C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(C)(C)C)cc1 20551134 JKSLELUKXRGDFU-OAHLLOKOSA-N 336.479 5.356 0 50 EKAA Cc1nc2cc(N[C@H](C)c3ccc(OC(F)(F)F)cc3)ccc2o1 170596187 ONPJILBVMSMBPG-SNVBAGLBSA-N 336.313 5.208 0 50 EKAA O=C(Nc1cc(C(F)F)ccc1Cl)c1ccnc2ccccc12 676194570 APHUYJSFONPWHG-UHFFFAOYSA-N 332.737 5.078 0 50 EKAA CC(C)(C)C1CCC(CC(=O)NCc2ccc3c(c2)CCCC3)CC1 2325841127 DRRMKMFISABPJT-UHFFFAOYSA-N 341.539 5.424 0 50 EKAA O=C(OCc1ccccc1)c1cccc(SCc2ccccc2)c1 406205 YVQKVODNNKNSLI-UHFFFAOYSA-N 334.440 5.336 0 50 EKAA COc1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 456410 LYDHQWQYLZWQSC-FQEVSTJZSA-N 349.455 5.167 0 50 EKAA O=C(Nc1ccccc1)c1ccc(COc2ccc3ccccc3c2)o1 469425 DMWJWSXLLFMZNP-UHFFFAOYSA-N 343.382 5.264 0 50 EKAA O=c1oc2cc(OCc3ccccc3)ccc2cc1-c1ccc(F)cc1 2552159 HVLJJAXHSXSKIH-UHFFFAOYSA-N 346.357 5.178 0 50 EKAA CC[C@@H](NC(=S)Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 17072174 ONZUUSKQSVPYSR-XAPRQVHKSA-N 346.515 5.107 0 50 EKAA Clc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccccc3)N12 34895834 RZMSEVAAEBXXHE-AZRAODJOSA-N 344.845 5.267 0 50 EKAA O=C(CCC1CCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 133339 OWCGMNXRGAWNEW-UHFFFAOYSA-N 334.872 5.372 0 50 EKAA Cc1c(C)n(C)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc12 205130 DBPWBRJQOBSRDQ-UHFFFAOYSA-N 346.352 5.066 0 50 EKAA O=C(C[C@H](c1ccc(Cl)cc1)[C@H]1CCCCC1=O)c1ccccc1 237870 GUEDHQCUZRWRLD-RTBURBONSA-N 340.850 5.456 0 50 EKAA CCSc1nc2ccccc2n1Cc1c(C)ccc2ccccc12 453809 VOOZHULHKOJUMM-UHFFFAOYSA-N 332.472 5.658 0 50 EKAA COc1ccc(-c2nc3cc(C)ccc3cc2CNC2CCCC2)cc1 12248045 UTXZSABMLAWCLR-UHFFFAOYSA-N 346.474 5.251 0 50 EKAA Cc1cccc(OCCn2c(Cc3ccccc3)nc3ccccc32)c1 12462863 WYWOAZVKPYLCIF-UHFFFAOYSA-N 342.442 5.015 0 50 EKAA CC1(C)COP(=O)([C@H](Nc2ccccc2)c2ccccc2)OC1 15635827 IGFZDWKOBNUVGY-KRWDZBQOSA-N 331.352 5.063 0 50 EKAA Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1 16697216 DXRLALXPCIOIDK-UHFFFAOYSA-N 349.231 5.455 0 50 EKAA in-vitro CC(C)(C)P(c1ccnn1-c1cccc2ccccc12)C(C)(C)C 44831022 XJZYJFVKLNCBQF-UHFFFAOYSA-N 338.435 5.730 0 50 EKAA Cc1cc(Cl)ccc1-c1nc(-c2ccccc2)c(CC(=O)O)s1 71770888 DOALLGABZYCGCI-UHFFFAOYSA-N 343.835 5.066 0 50 EKAA CC(C)c1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 302849 MRHIYGIWQJOWHN-UHFFFAOYSA-N 345.442 5.495 0 50 EKAA COc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccccc1 4712860 NNAUZWCODSCHDL-SFHVURJKSA-N 334.444 5.112 0 50 EKAA O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc(Cl)c1 5027967 ZYDDXYFLRDCSNC-UHFFFAOYSA-N 349.261 5.236 0 50 EKAA Fc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)cc1 5739508 UNZKNFZFOFTADW-LJQANCHMSA-N 336.410 5.030 0 50 EKAA C/C(=C\C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)C1CC1 222116871 TXPOXJXYOWZETE-SJFMBGHLSA-N 343.829 5.041 0 50 EKAA COc1ccc(OC)c(-c2ccc(-c3ccccc3C(F)(F)F)o2)c1 2325839206 LVHWZPKXEBLOGC-UHFFFAOYSA-N 348.320 5.650 0 50 EKAA O=C(Nc1ccccc1Cl)N(Cc1ccccc1)c1ccccc1 399296 RAOVMJZUEFOJQG-UHFFFAOYSA-N 336.822 5.579 0 50 EKAA O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2Cl)o1 472411 OXHSGTFDXDKMEM-UHFFFAOYSA-N 332.186 5.506 0 50 EKAA O=C(Cc1cccc2ccccc12)Nc1ccc(N2CCCCC2)cc1 617755 KMLYUPBXOXTXEC-UHFFFAOYSA-N 344.458 5.011 0 50 EKAA CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 2990144 FJLRIIPAMRNZQC-FMIVXFBMSA-N 333.353 5.481 0 50 EKAA Nc1c(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)oc2ccccc12 34513100 IGVLQGAIICOEBK-UHFFFAOYSA-N 349.336 5.191 0 50 EKAA Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 1875256842 CYHYNQIJSUQWLA-OAQYLSRUSA-N 330.431 5.101 0 50 EKAA Cc1sc2nc(SCC3CC(C(C)(C)C)C3)nc(N)c2c1C 1875356496 NZQONKUOWVXUOL-UHFFFAOYSA-N 335.542 5.055 0 50 EKAA CSCc1ccccc1NC(=O)c1cc(C)cc2c1NCC[C@@H]2C 2325842779 IIXCFTFDLFTWFN-AWEZNQCLSA-N 340.492 5.029 0 50 EKAA Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)C(C)C 174594 RRRHWLMVDUHQQW-UHFFFAOYSA-N 328.799 5.051 0 50 EKAA C[C@H]1CCC[C@H](C)N1C(=O)c1sc2cc(Cl)ccc2c1Cl 355278 YDCXGDQXCVNQGE-UWVGGRQHSA-N 342.291 5.611 0 50 EKAA Cc1ccc(NC2=C3CCCC=C3N(c3ccc(C)cc3)C2=O)cc1 1422857 LXNKHQFVBKVJCO-UHFFFAOYSA-N 330.431 5.084 0 50 EKAA CC(C)(C)c1ccc(C(C)(C)C)c2c1OC(c1ccc(O)cc1)O2 2842415 VMLZVXUQSNELEM-UHFFFAOYSA-N 326.436 5.457 0 50 EKAA Clc1ccc(N2N=C(c3cccnc3)C[C@H]2c2ccccc2)cc1 4566927 YGDOFBGASCTWFH-FQEVSTJZSA-N 333.822 5.091 0 50 EKAA CCOc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccs3)C2)cc1 4712872 XITVGDJHUALHIK-HXUWFJFHSA-N 348.471 5.503 0 50 EKAA Cc1nc2sc(-c3ccon3)c(-n3cccc3)c2c(C)c1Cl 12444727 MSNZXJHPZBDODP-UHFFFAOYSA-N 329.812 5.012 0 50 EKAA Cc1ccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)cnn23)cc1 27585238 YNCIJEIPLWGLGG-UHFFFAOYSA-N 342.446 5.572 0 50 EKAA O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 148693 DUUAFCVZQNEOMY-UHFFFAOYSA-N 344.238 5.004 0 50 EKAA Cc1c(NC(=O)Nc2c(Cl)cccc2Cl)sc(=S)n1C 171104 VDMJQMMQYNYUQE-UHFFFAOYSA-N 348.280 5.075 0 50 EKAA CCCCc1ccc(NC(=O)/C=C/c2cccc(OC)c2Cl)cc1 4542734 VRUBGHTVHINNJZ-SDNWHVSQSA-N 343.854 5.343 0 50 EKAA Fc1ccc(Cn2c(-c3ccccc3)nc3ccccc32)c(Cl)c1 953063009 FZAJRUWVLYYBFF-UHFFFAOYSA-N 336.797 5.544 0 50 EKAA Fc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 46240 UMJMUKFRSOWGMW-UHFFFAOYSA-N 338.407 5.427 0 50 EKAA Cc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1C 205831 ZEGNEOYAMPKYNY-UHFFFAOYSA-N 346.455 6.138 0 50 EKAA CCOc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 290859 JTHZLGQMZCONDC-UHFFFAOYSA-N 344.625 5.298 0 50 EKAA O=C(Nc1cc(Cl)ccc1Cl)Nc1cccc2ccccc12 1071057 QSYSTCXHBPXPHY-UHFFFAOYSA-N 331.202 5.791 0 50 EKAA C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccs2)no1 1420996 ADKSLTRGNWQWMR-MRVPVSSYSA-N 341.219 5.245 0 50 EKAA Clc1ccc(C2=N[C@@H](c3ccccc3)C=C(c3ccccc3)O2)cc1 3107169 GJRMBYJQEXDLHC-HXUWFJFHSA-N 345.829 5.899 0 50 EKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1C1(CCCC1)O2 5235425 AVEINBRSSSIIRE-SFHVURJKSA-N 338.838 5.154 0 50 EKAA CCCC/C=C\CCCCCCCc1cc(=O)c2ccccc2n1C 31168223 HWFYWIVOYBPLQU-SREVYHEPSA-N 339.523 6.168 0 50 EKAA biogenic,in-vitro Cc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(F)cc2)cc1 243576 UFZVRHRPIFYOHH-NRFANRHFSA-N 333.406 5.560 0 50 EKAA CC(C)CNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 312852 DTGBKZASISSGDS-UHFFFAOYSA-N 336.671 5.247 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)Nc1cccc2ccccc12 395075 HREGTWDQCWPRCC-UHFFFAOYSA-N 331.202 5.791 0 50 EKAA Cc1cccc(C)c1NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 2826582 HWYFJHIPVDHDFU-UHFFFAOYSA-N 337.507 6.151 0 50 EKAA CCCCOc1ccccc1[C@@H]1CC(=O)Nc2ccc3ccccc3c21 2877176 DWLFIPYTSGHERK-IBGZPJMESA-N 345.442 5.493 0 50 EKAA C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2C(F)(F)F)CO1 142957339 NHGFPOQFINKDJB-OAHLLOKOSA-N 328.717 5.397 0 50 EKAA Cc1ccc(C2=N[C@H](C3CCCCC3)N3[C@@H]2[C@H]3c2ccccc2)cc1 254841243 SGSXNGZQSDWDQD-ICIDBNQLSA-N 330.475 5.130 0 50 EKAA CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 467747 JULHQHOKYSBJGS-UHFFFAOYSA-N 343.854 5.189 0 50 EKAA O=C(Nc1cccc2ccccc12)/C(=C/c1ccccc1)c1ccccc1 2979635 VLVFAHYARKQWAW-PTGBLXJZSA-N 349.433 6.019 0 50 EKAA COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1C 17066812 REMSTODOBZMNNR-UHFFFAOYSA-N 326.440 5.254 0 50 EKAA CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]32)C1 118915823 FQADBEOLIYAFDV-MTMZYOSNSA-N 346.555 5.494 0 50 EKAA C[C@H]1C[C@@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1 81301 IUCCFZPZAWERPQ-HNAYVOBHSA-N 348.471 5.340 0 50 EKAA O=C(COC(=O)c1cccc2ccccc12)c1ccc2ccccc2c1 482460 RICVZOLAQDIJLQ-UHFFFAOYSA-N 340.378 5.033 0 50 EKAA CC(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 1181271 UJASXROILHCOOQ-PDGQHHTCSA-N 337.444 5.047 0 50 EKAA CCCOc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 2784920 QTLZDLOWJRUZMV-MRXNPFEDSA-N 339.479 5.264 0 50 EKAA COc1ccc(OCCCCOc2cccc(Cl)c2Cl)cc1 2904375 RYZLATFFPURYSR-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(F)c2)s1 15867158 MOZHFZBJLWLFNG-MRXNPFEDSA-N 332.444 5.345 0 50 EKAA c1ccc(CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 71782973 KGSFMPRFQVLGTJ-UHFFFAOYSA-N 334.462 6.264 0 50 EKAA C1C[C@H]2C[C@H]1[C@@H]1SC(=C3S[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4S3)S[C@H]21 253588390 AXKZAQWXUQRLEU-PWLUQISCSA-N 340.604 5.407 0 50 EKAA CCOc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 675029183 GGJMGGARXXPPBV-JOCHJYFZSA-N 345.442 5.512 0 50 EKAA CC(=Cc1cccc(-c2ccccn2)c1)c1nc(O)c2ccsc2n1 1857532390 RKDPMZYHDGBUQH-UHFFFAOYSA-N 345.427 5.019 0 50 EKAA CCc1ccc([C@H](NC(=O)C2C3CC4CC(C3)CC2C4)C(C)(C)C)o1 1875343895 XTZDAOZGENIRLA-OXUJMVIWSA-N 343.511 5.118 0 50 EKAA O=C(C[C@H](c1ccc(Cl)cc1)[C@H]1CCCC1=O)c1ccccc1 285827 FNNLCCWPLUPOJS-QZTJIDSGSA-N 326.823 5.066 0 50 EKAA Cc1ccccc1C(=O)Nc1ccc(Br)cc1C(C)C 313621 HXIYJSNEAKWNRF-UHFFFAOYSA-N 332.241 5.133 0 50 EKAA CCOc1ccc(C(=O)Nc2ccccc2[C@@H](C)CC)cc1Cl 465396 BDIMCPQZDNWMMF-ZDUSSCGKSA-N 331.843 5.505 0 50 EKAA O=C(c1ccccc1)[C@H](Sc1nc2ccccc2o1)c1ccccc1 476622 BFGRECJICGNNMH-HXUWFJFHSA-N 345.423 5.544 0 50 EKAA O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2N1 1082065 VGNGRYYHNUHGSB-QHCPKHFHSA-N 349.433 5.981 0 50 EKAA CCCCCc1ccc(-c2ccc(-c3noc(CCC)n3)cc2)cc1 2485651 MCPZBJGVJBJZCS-UHFFFAOYSA-N 334.463 6.089 0 50 EKAA CC/C(C)=C\c1oc2c(Cl)cc(Cl)cc2c1N1CCOCC1 4625032 HGGZZTKWMBLKCL-FLIBITNWSA-N 340.250 5.390 0 50 EKAA Cc1ccc(C)c(-n2c(S)nnc2-c2csc3ccccc23)c1 6533790 LIAZOMWKOGOCTF-UHFFFAOYSA-N 337.473 5.055 0 50 EKAA Cc1noc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 20605108 PMSVEAFCHIOPPD-UHFFFAOYSA-N 329.133 5.443 0 50 EKAA Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1C 67930 SNCOHHQQCADHGB-NRFANRHFSA-N 347.483 5.776 0 50 EKAA COc1ccccc1C(=O)Nc1ccccc1Sc1ccccc1 305129 QVEDREJORGCXAW-UHFFFAOYSA-N 335.428 5.099 0 50 EKAA O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccccc2)cc1 463542 MAYHIAJAPLUCJL-UHFFFAOYSA-N 342.442 5.206 0 50 EKAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@]4(C)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257346451 HCGWHJRCLCRJFR-GIGLBJSCSA-N 330.512 5.194 0 50 EKAA CC(C)=CCCC1=CC[C@@H](COC(=O)Nc2ccccc2)[C@@H](C)C1 210995 XYVMZXFVHJLCOA-HKUYNNGSSA-N 327.468 5.954 0 50 EKAA biogenic Cc1ccc(C)c([C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 2845512 RZJCXNYVDNKREI-OAQYLSRUSA-N 349.861 5.476 0 50 EKAA CCc1cc2c(=O)c(-c3ccc(C(C)C)cc3)c(C)oc2cc1OC 2994414 ZOLHPAQAPRPJQL-UHFFFAOYSA-N 336.431 5.463 0 50 EKAA Cc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1C 45068312 GPRQSSOFJQNFAI-QHCPKHFHSA-N 343.495 6.661 0 50 EKAA Fc1cccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)c1 225782399 RAOLICZVMYCOPA-UHFFFAOYSA-N 333.793 6.361 0 50 EKAA COc1cccc(OC)c1C(=O)Nc1c(C(C)C)cccc1C(C)C 122379 NCZLVEWLTOQZKN-UHFFFAOYSA-N 341.451 5.203 0 50 EKAA O=Cc1c(OC(=O)c2cc(Cl)ccc2Cl)ccc2ccccc12 312403 FYXWNARDFTUJAQ-UHFFFAOYSA-N 345.181 5.178 0 50 EKAA Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 342161 ZNKJEANTDGHKRJ-UHFFFAOYSA-N 328.371 5.056 0 50 EKAA CC[C@@H](C)c1ccccc1NC(=S)Nc1cc(OC)ccc1OC 611760 KAHLMYOLHJLTBJ-CYBMUJFWSA-N 344.480 5.026 0 50 EKAA COc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccccc2)cc1 4071837 FETQRPMUEGBANJ-IBGZPJMESA-N 334.444 5.112 0 50 EKAA CCC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(N)=O 4545055 GPJOCTSYUYFQBP-GOSISDBHSA-N 333.516 5.095 0 50 EKAA CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C(C)C 6828920 OOSFBOWVGLUUSB-UHFFFAOYSA-N 344.311 5.582 0 50 EKAA O=C(Nc1ccc(Sc2ccccn2)c(Cl)c1)c1cccs1 16622815 IIFXTSBTVOIPJZ-UHFFFAOYSA-N 346.864 5.200 0 50 EKAA Fc1ccc(-c2cnn3c(-c4cccc5ccccc45)ccnc23)cc1 71375701 BHLIUHJGZRYPIK-UHFFFAOYSA-N 339.373 5.356 0 50 EKAA Fc1ccccc1CSc1ncnc2sc3c(c12)CCCC3 87390 WHCWGLIMIAJMOY-UHFFFAOYSA-N 330.453 5.002 0 50 EKAA Cc1cc(C)cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 505716 MHCXPSXPFIDAKI-UHFFFAOYSA-N 328.626 5.516 0 50 EKAA Cc1ccc(C)c([C@H](NC(=O)c2ccccc2C)c2ccccc2)c1 1109973 SPGDKMPRAYYXQE-JOCHJYFZSA-N 329.443 5.131 0 50 EKAA COc1ccccc1OCCCCn1c2ccccc2c2ccccc21 2990836 VMNWSXOTEUHELJ-UHFFFAOYSA-N 345.442 5.662 0 50 EKAA COc1ccc(-c2cc3cc4c(C(C)(C)C)coc4cc3oc2=O)cc1 4820571 QVVMXVXXBCQPSC-UHFFFAOYSA-N 348.398 5.512 0 50 EKAA CCc1cc(=O)oc2cc(O[C@H](C)c3ccccc3)c(Cl)cc12 4833486 DPHVELTWDNINRT-GFCCVEGCSA-N 328.795 5.149 0 50 EKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CCCCCCC1 13320447 FBLIQLJUSOKNRM-UHFFFAOYSA-N 348.796 5.593 0 50 EKAA FC(F)(F)c1ccc(COc2ccc(Br)cc2)cc1 70247500 WPKHHAGEYXUPDF-UHFFFAOYSA-N 331.131 5.047 0 50 EKAA CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@@]12C 102295775 LFDDUQXVBIIJBD-BJGYQCKZSA-N 344.583 6.529 0 50 EKAA CC[C@H](NC[C@@H](CO)Cc1ccccc1C)c1cccc2ccccc12 2325841600 AVRGLCIXMDBDLT-CYFREDJKSA-N 347.502 5.040 0 50 EKAA Brc1ccc(Sc2ccc(Br)cc2)cc1 75289 CLPVCAXOQZIJGW-UHFFFAOYSA-N 344.071 5.363 0 50 EKAA in-vitro Cc1cccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1 1065897 UGJSSSNTXCDTAW-UHFFFAOYSA-N 334.448 5.127 0 50 EKAA Cc1cc(OC(=O)[C@H]2C[C@@H]2c2ccccc2)c(C(C)C)cc1Cl 4948547 KXOYGANEMSOCJA-SJORKVTESA-N 328.839 5.481 0 50 EKAA CCCCn1c(-c2cccc(Br)c2)nc2ccccc21 13018326 RWCSAFVKIBGTML-UHFFFAOYSA-N 329.241 5.266 0 50 EKAA O=C1CCCC[C@H]1[C@H](Nc1ccc2ccccc2c1)c1cccnc1 23550162 FHMYXZJSUCPNII-IFMALSPDSA-N 330.431 5.147 0 50 EKAA CSc1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 401710 IVRVURMLLCVRNH-UHFFFAOYSA-N 342.247 5.635 0 50 EKAA C[C@H](c1ccccc1)n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S 608530 ZQURPMWENBPUMK-CQSZACIVSA-N 337.492 5.514 0 50 EKAA CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2872009 ZHGUASMXKFAXFX-UHFFFAOYSA-N 329.240 5.071 0 50 EKAA Cc1ccc(OCCCCOc2cccc3ccc(C)nc23)c(C)c1 3460772 LJMBKDVQNZZXBL-UHFFFAOYSA-N 335.447 5.398 0 50 EKAA Cc1sc(NC(=O)c2c(F)cccc2Cl)nc1-c1ccccc1 4750221 DBCKIOAKRNISHC-UHFFFAOYSA-N 346.814 5.163 0 50 EKAA Fc1cccc(-c2ccc(Nc3ccc(-c4cnc[nH]4)cc3)nc2)c1F 2356164933 MEBFCKSQUCJAQP-UHFFFAOYSA-N 348.356 5.161 0 50 EKAA Cc1cc(Br)c(SC(C)(C)C)c(Br)c1 270971 MDJAOSNEUVEXSK-UHFFFAOYSA-N 338.108 5.411 0 50 EKAA CC(C)COc1ccc(Br)cc1-c1nc2ccccc2[nH]1 404591 GSMWKLYPZFYRIG-UHFFFAOYSA-N 345.240 5.027 0 50 EKAA CCCOc1ccc(C(=O)N[C@H](CC)c2ccc(C(C)C)cc2)cc1 2800899 CVZDAEOHKXYZBC-OAQYLSRUSA-N 339.479 5.480 0 50 EKAA CC[C@H](C)c1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 6121235 VFWDFWOLNYYDQE-LBPRGKRZSA-N 339.822 5.767 0 50 EKAA Clc1cccc(CN2CCc3c([nH]c4ccccc34)C2)c1Cl 19595022 WSIGIAPZQFPQJF-UHFFFAOYSA-N 331.246 5.033 0 50 EKAA biogenic CC[C@H](NCc1cnc(-c2ccccc2C)s1)c1cc(C)ccn1 65507753 GQUVRNRKKCNGQK-SFHVURJKSA-N 337.492 5.063 0 50 EKAA Cc1nn2c(-c3ccccc3Cl)ccnc2c1-c1ccc(F)cc1 71375964 YKHLGSARVVDAPC-UHFFFAOYSA-N 337.785 5.164 0 50 EKAA Clc1ccc2sc(Sc3nc4ccccc4s3)nc2c1 1875254863 CUELBFZNMMZXML-UHFFFAOYSA-N 334.878 5.711 0 50 EKAA CSc1ccc(NC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 399197 NAUQXZMHAQIASH-UHFFFAOYSA-N 349.459 5.796 0 50 EKAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(Nc2ccccc2)cc1 441881 SEYAYXFMKQAHOM-UHFFFAOYSA-N 336.822 5.265 0 50 EKAA C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 443859 BEFIDONMBKBBEC-INIZCTEOSA-N 349.455 5.598 0 50 EKAA CCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2F)csc1C 1054073 VPVJBAFLOSDBNS-UHFFFAOYSA-N 331.334 5.029 0 50 EKAA CCCCOc1ccccc1NC(=O)c1cc(SC)ccc1Cl 2190278 ZTLAMNUVPIKWMJ-UHFFFAOYSA-N 349.883 5.493 0 50 EKAA CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 14256341 CFIUWJCTZKTNJT-MRXNPFEDSA-N 345.508 5.199 0 50 EKAA O=C(Nc1nc2ccc(Cl)cc2s1)C12CC3CC(CC(C3)C1)C2 4031663 JEICYXLCEFNRQZ-UHFFFAOYSA-N 346.883 5.105 0 50 EKAA Cc1cccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1 4956944 RFLWYVBOWQTAKX-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1cc(-c2ccc(C(=O)O)cc2)c(C)cc1-c1ccc(C(=O)O)cc1 1848350118 JZDSTRMMQZSYFF-UHFFFAOYSA-N 346.382 5.034 0 50 EKAA C[C@@H](c1ccccc1)n1c(=O)n(C[C@H]2CCC(C)(C)C2)c2ccccc21 1875357396 FKJJBJKYIUOWGX-ROUUACIJSA-N 348.490 5.239 0 50 EKAA CCC[C@H](NC[C@@H]1CC[C@@H]2C[C@H]12)c1ccc(Oc2ccccc2)cc1 2325822372 TZJOBNXUKAHLBP-FUKQBSRTSA-N 335.491 5.956 0 50 EKAA Cc1cc(C)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(Cl)c1 145267 DBYPERPNEUJFCW-JXMROGBWSA-N 327.855 5.732 0 50 EKAA Cc1cc(C)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 149960 AWBRULDSIXOJRY-UHFFFAOYSA-N 343.641 5.908 0 50 EKAA O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccccc1 340092 XUPPGDQYYBOGCG-UHFFFAOYSA-N 348.789 5.401 0 50 EKAA Cc1ccc2cccc(OC(=O)Nc3ccc(Cl)cc3Cl)c2n1 396512 ZRWBUQFBIGPPJU-UHFFFAOYSA-N 347.201 5.461 0 50 EKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)cc1 4853344 WBCQGXCIFIWGFC-FQEVSTJZSA-N 332.447 5.199 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCN([C@H](C)c2ccccc2)[C@H]3CCC1 59408677 GNVBGFAKJVJGJT-VGSWGCGISA-N 330.475 5.404 0 50 EKAA biogenic CC[C@H](F)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705045 FAFWRNLRDMHCOR-AWEZNQCLSA-N 329.459 5.644 0 50 EKAA in-vitro C[C@@H](OC(=O)Cc1cccc(C(F)F)c1)c1cnc2ccccc2c1 225733395 SDXOBVFZZPYECP-CYBMUJFWSA-N 341.357 5.019 0 50 EKAA Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)CC1CCCCC1 2325842380 WQLUDVUQESSQMC-RXVVDRJESA-N 329.528 5.805 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)N[C@H](C)c3ccccc3)sc2c1 186001 QRYDTWDHWGGVTG-GFCCVEGCSA-N 329.852 5.354 0 50 EKAA Cc1cc(CSc2ccccc2)ccc1NC(=O)Nc1ccccc1 858934 KYCFLMSNQBRXKW-UHFFFAOYSA-N 348.471 5.931 0 50 EKAA Cc1cc(-c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 1690405 UFFRXKCBFTZHIG-UHFFFAOYSA-N 326.480 5.977 0 50 EKAA in-vitro CC(C)Oc1ccccc1-c1cc(C(=O)O)c2cc(Cl)ccc2n1 5911228 OVXUVDUTNYKMBY-UHFFFAOYSA-N 341.794 5.041 0 50 EKAA CN1[C@H](c2ccccc2)C[C@@](O)(c2ccccc2)C[C@@H]1c1ccccc1 248129327 MQPSFALRBZMFQW-BKFWDETESA-N 343.470 5.082 0 50 EKAA O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(F)c1 1064045 OKWRBMWLEMUNPL-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA Cc1ccc(NCC(=O)n2c3ccccc3c3ccccc32)cc1C 2292631 WITKEJFDFAUHGQ-UHFFFAOYSA-N 328.415 5.164 0 50 EKAA Cc1ccc(C2=NN(c3ccccc3)[C@@H](C=C(Cl)Cl)C2)cc1 4948264 VXMWOUVLRSPDLS-MRXNPFEDSA-N 331.246 5.297 0 50 EKAA CCCCc1cc(=S)oc2cc3c(cc12)CCC1(CCCCC1)O3 11767340 UMEOXNRPXAPURT-UHFFFAOYSA-N 342.504 6.533 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N1CCCCC[C@H]1c1cccs1 15867022 KFWQETPNVPMSEH-INIZCTEOSA-N 348.899 5.859 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC 38843591 RKAKAVQIMCZXPE-AAQCHOMXSA-N 344.539 6.861 0 50 EKAA in-vitro c1cc2c3c(cccc3c1)[C@H]1C[C@H]3c4cccc5cccc(c45)[C@H]3C[C@H]21 71784949 UFWHXJPHNAASJP-YCAMKHIRSA-N 332.446 6.849 0 50 EKAA Cn1c(C(=O)N2CCCCC[C@H]2c2ccco2)ccc1-c1ccccc1 95375024 HFSIJEVREPUUOC-IBGZPJMESA-N 348.446 5.043 0 50 EKAA CCC(CC)[C@@H]1Nc2c(C(=O)O)cc(Cl)cc2[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 197191880 CQASREBRZYVQSE-AYVNUCQDSA-N 347.886 5.398 0 50 EKAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1c1ccccc1 216514356 WGTQMXKTPXOADO-OAQYLSRUSA-N 342.442 5.034 0 50 EKAA CC[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 441484 WYKAGIPGATWVJK-LLVKDONJSA-N 342.653 5.779 0 50 EKAA CC(C)(C)c1ccc(CSc2nc3ccccc3cc2C=O)cc1 2597305 FVMXEEPTQUSJNC-UHFFFAOYSA-N 335.472 5.637 0 50 EKAA COc1ccccc1[C@H]1CCCN1C(=O)c1oc2ccc(C)cc2c1C 77565495 SJBZFTWVZOZTEZ-GOSISDBHSA-N 349.430 5.036 0 50 EKAA C1CCC(CNC[C@H]2CC[C@@H](CNCC3CCCCC3)CC2)CC1 257356519 ISBQDRFJGNVDSN-SZPZYZBQSA-N 334.592 5.133 0 50 EKAA COc1ccc(C(=C(Cl)Cl)c2ccc(OC)c(C)c2)cc1C 297500 JXDVVOOGAUSWHZ-UHFFFAOYSA-N 337.246 5.515 0 50 EKAA Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(Br)c1 431581 PMAXLXLKRWIBNP-UHFFFAOYSA-N 340.220 5.163 0 50 EKAA O=C(c1ccccc1F)c1cn(Cc2ccccc2)c2ccccc12 614811 ALOUEMCFHLKHJL-UHFFFAOYSA-N 329.374 5.060 0 50 EKAA Cc1cc2ncn(CCOc3cccc(Cl)c3Cl)c2cc1C 1066131 FYOTZFUBZOCFHW-UHFFFAOYSA-N 335.234 5.039 0 50 EKAA Cc1c(-c2cccc(Cl)c2)nc2ccc(Cl)cc2c1C(=O)O 3883718 UGNRDISOEZDZKJ-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA CCSc1ccc(Cl)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 4717709 MYASVTWYNMIUBE-UHFFFAOYSA-N 349.927 5.607 0 50 EKAA CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2ccc3ccccc3c21 4911073 SRXUIVJIEXUNGB-GOSISDBHSA-N 331.415 5.101 0 50 EKAA CC[C@H](c1ccncc1)n1ccnc1-c1cccc(CC(F)(F)F)c1 1857692625 MXZFJFVLWXHVOU-QGZVFWFLSA-N 345.368 5.049 0 50 EKAA CC(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 53669 AUZXHKODUIUKQL-UHFFFAOYSA-N 334.853 5.059 0 50 EKAA O=C1C[C@@H](c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c2N1 83024 XVFLUZIYTMVHHZ-KRWDZBQOSA-N 341.332 5.333 0 50 EKAA S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCCCC1 307458 MJWWSXOBWDMJPJ-UHFFFAOYSA-N 326.465 5.098 0 50 EKAA CC(C)=CCOc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1 310648 RWFXNLCGHPQDON-UHFFFAOYSA-N 336.387 5.239 0 50 EKAA biogenic CCCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 444650 BPLCALJJEVJCOE-UHFFFAOYSA-N 330.840 5.355 0 50 EKAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1CCC(C(C)(C)C)CC1 1002681 HFIHOONCWGTSFQ-HPUBIQBYSA-N 331.475 5.346 0 50 EKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(C(C)C)cc3)nc12 2526059 GZEGTZURSWWXPB-UHFFFAOYSA-N 339.822 5.685 0 50 EKAA COc1ccc(-c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 5034218 NUOAJUDDBUCDEU-UHFFFAOYSA-N 342.398 5.388 0 50 EKAA COc1ccc2ccccc2c1CN1CC=C(c2ccc(F)cc2)CC1 23280318 QLNFAOMDNUYKGY-UHFFFAOYSA-N 347.433 5.277 0 50 EKAA Cc1ccc(C2=N[C@H](C3CCCCC3)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504132 SGSXNGZQSDWDQD-VMJHHUBKSA-N 330.475 5.130 0 50 EKAA Cc1cccc(NC(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1C 35561630 JVORQYIQTYPIGN-FQEVSTJZSA-N 340.442 5.592 0 50 EKAA Cc1cc(OCc2ccccc2)c(C)c(C)c1OCc1ccccc1 71769243 JNIHHAOYNCZTFZ-UHFFFAOYSA-N 332.443 5.770 0 50 EKAA O=C(N[C@H]1CCCC2(CCCC2)C1)c1ccc(C2CCCCC2)s1 1875343639 PEMNIEUMHDZTHC-KRWDZBQOSA-N 345.552 6.029 0 50 EKAA COc1ccc(-c2csc(Nc3cccc(Cl)c3C)n2)cc1 73666 SJRWCYPJOFRFOJ-UHFFFAOYSA-N 330.840 5.524 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 290633 NZSOXPDHNQMIHW-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA O=C(CCNc1ccc(F)c(Cl)c1)c1ccc2ccccc2c1 409530 RARGCRZMGITTIM-UHFFFAOYSA-N 327.786 5.317 0 50 EKAA Cc1ccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 1214790 DWGGTKNHBCGNDN-KOENEWCDSA-N 339.438 5.231 0 50 EKAA O=C(OCc1cc(-c2ccccc2)on1)c1ccc(Cl)cc1Cl 1394142 WDZVJWSTQMOZAL-UHFFFAOYSA-N 348.185 5.005 0 50 EKAA CCCc1cc(=O)oc2cc(OCc3ccc4ccccc4c3)ccc12 2995246 GEMTXOCYXKUQFC-UHFFFAOYSA-N 344.410 5.478 0 50 EKAA O=C1Nc2ccccc2Oc2cc(Oc3ccc(Cl)cc3)ccc21 4743477 NLNWKXHWIQDCLT-UHFFFAOYSA-N 337.762 5.490 0 50 EKAA aggregator CCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)s1 15867067 MYULVQKQWHIXCD-GOSISDBHSA-N 342.508 5.768 0 50 EKAA CCc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 36620909 ASSKFOBYTJXUIS-SFHVURJKSA-N 328.843 5.271 0 50 EKAA CC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\C/C=C\CCC(C)=O 64858170 WOGJPWPLTMTIHQ-UIFBBXMZSA-N 342.523 6.024 0 50 EKAA in-vitro CCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 290856 DWKSCANTYMRMQY-UHFFFAOYSA-N 344.625 5.298 0 50 EKAA CC(C)C(=O)Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 360427 QMBOGQLILOWOMO-UHFFFAOYSA-N 344.458 5.560 0 50 EKAA C[C@H](c1ccccc1)N(C(=O)c1ccccc1)[C@H](C)c1ccccc1 2165420 IXEDUCBVEKEPOB-RTBURBONSA-N 329.443 5.651 0 50 EKAA Clc1ccc(Cc2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1 2921457 JWNLJTVZTQVWFS-UHFFFAOYSA-N 346.817 5.648 0 50 EKAA CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1Br 12957275 SHUUMGHTDLOJAU-UHFFFAOYSA-N 349.268 5.691 0 50 EKAA COc1ccc(/C=C2\SC=C(c3ccc(F)cc3)N=NC2=N)cc1 22782094 FTTQFEWELASLBU-OPSMPBDOSA-N 339.395 5.350 0 50 EKAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 63996 MFGWLFWHYOAHFN-JXMROGBWSA-N 325.717 5.011 0 50 EKAA Cc1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1Cl 142415 OMPIATOMOCOBFL-UHFFFAOYSA-N 331.843 5.098 0 50 EKAA Cc1ccc(C)c(Nc2nc(-c3ccncc3)nc3ccccc23)c1 195122 HZLCLAGHLCKFLZ-UHFFFAOYSA-N 326.403 5.052 0 50 EKAA CCc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 317669 KHCBFTUAKBDMQD-UHFFFAOYSA-N 346.430 5.010 0 50 EKAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 375507 PZQNQUNVGABQDU-NRFANRHFSA-N 347.414 5.275 0 50 EKAA C[C@H]1CCCC[C@@H]1OC(=O)Nc1cc(Cl)c(Cl)cc1Cl 396466 SBXJSFVTLBQWFA-SDBXPKJASA-N 336.646 5.774 0 50 EKAA CC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 972717 DYUNUYGJNCIPFD-NRFANRHFSA-N 329.443 5.086 0 50 EKAA Cc1cccc(OCCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1775859 CCVZOIHWRWOZEA-UHFFFAOYSA-N 338.234 5.100 0 50 EKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)OCc1cccc(F)c1 2165502 RVEZAVHABUZRSQ-UHFFFAOYSA-N 347.695 5.247 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC 4534005 SNXPWYFWAZVIAU-GKFVBPDJSA-N 332.528 6.695 0 50 EKAA in-vitro Oc1ccccc1[C@@H]1CC(c2cccs2)=Nc2ccccc2S1 8380449 MHUNNKXFEJVDHE-IBGZPJMESA-N 337.469 5.812 0 50 EKAA O=C(O)/C=C/c1ccc(Sc2ccc(F)cc2)c(Cl)c1Cl 35287486 RXHSWBBTCFECIC-KRXBUXKQSA-N 343.206 5.382 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1Cl 36621187 NIQJGGKLQMBDIO-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA COc1ccccc1-c1ccnc(N[C@@H]2CCC[C@H]2CCC(C)C)n1 2325840312 XDYLLJJATPLYRV-FUHWJXTLSA-N 339.483 5.169 0 50 EKAA Brc1cc2c(cnc3sc(Br)cc32)s1 334569 LJCGFAYCHUULRZ-UHFFFAOYSA-N 349.072 5.036 0 50 EKAA CCCC(CCC)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 367855 NPXNBEQUKNAMAY-UHFFFAOYSA-N 344.480 5.155 0 50 EKAA O=C(COc1ccc2ccccc2c1)Nc1cc(Cl)cc(Cl)c1 443431 VXXGIHMOFIOOHE-UHFFFAOYSA-N 346.213 5.164 0 50 EKAA Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 610484 FGVXADMAGYDRAZ-LLVKDONJSA-N 340.275 5.421 0 50 EKAA CCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 1204184 XGCAKIBCAUOWMD-UHFFFAOYSA-N 328.799 5.195 0 50 EKAA CCc1ccc(OCCCC(=O)Nc2ccc(C(C)C)cc2)cc1 1773425 WPWXKJNICRWLCI-UHFFFAOYSA-N 325.452 5.170 0 50 EKAA CN(C)CC1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 3683918 SLTVLNJKFKLCRM-HSZRJFAPSA-N 341.454 5.184 0 50 EKAA Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)cc1 4661971 VJQMUTGVAWNULL-SFHVURJKSA-N 338.838 5.154 0 50 EKAA O=C(O)CCCCCCCCCCCCCCCCCCCO 14449691 JLDIWYKSFMPIDW-UHFFFAOYSA-N 328.537 6.085 0 50 EKAA biogenic,in-vitro CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCC(=O)O 34961939 OZXAIGIRPOOJTI-LULSBUPUSA-N 344.495 5.520 0 50 EKAA in-vitro CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccccc3)o2)cc1 115596 CFTNPAGMOQDGRE-UHFFFAOYSA-N 349.430 5.408 0 50 EKAA O=C(c1ccccc1)[C@H](c1ccccc1)n1nccc1-c1ccccc1 390857 MARNTTZITCGWBM-QFIPXVFZSA-N 338.410 5.022 0 50 EKAA Cc1ccc(/C=C/C(=O)Nc2cc(Cl)c(Cl)cc2Cl)o1 476954 CZKWXRZQVQUZAB-SNAWJCMRSA-N 330.598 5.200 0 50 EKAA CCCOc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1 2918284 RJHMTTRFGGRUJY-UHFFFAOYSA-N 330.767 5.028 0 50 EKAA Cc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=S)cc1 5659317 BVVOSKPQDMCUMH-UHFFFAOYSA-N 342.467 6.177 0 50 EKAA CC(C)C1CCC([C@](C)(O)CNCc2cccc3ccccc23)CC1 2325842288 TZCICTQQWQCUMR-PSGUAHCZSA-N 339.523 5.143 0 50 EKAA Nc1cccc(C(=O)N(c2ccccc2)c2cccc3ccccc23)c1 237377 QIWSJHSIZXFCAV-UHFFFAOYSA-N 338.410 5.401 0 50 EKAA C[C@@H](SCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 443599 DUBBWNBURWGGIE-LLVKDONJSA-N 340.275 5.254 0 50 EKAA Cc1cccc(NC(=O)c2ccc(COc3cccc(C)c3)cc2)c1 467121 DKKSEJHIRAQFMD-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA CCc1ccccc1-n1c(S)nnc1-c1ccc(C(C)(C)C)cc1 621630 DGZFKOQAGLYWGX-UHFFFAOYSA-N 337.492 5.083 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)c3cccc(C)c3)ccc21 4007944 VXHZQAFZBDYWKX-UHFFFAOYSA-N 328.415 5.375 0 50 EKAA Nc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 34784228 WCNQRPKNQRXHQJ-UHFFFAOYSA-N 347.461 6.276 0 50 EKAA Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 36621001 RZABCWXERPXAAD-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA CCn1c2ccccc2c2cc(CNc3ccccc3Cl)ccc21 2494849 VVQWKWVIYSJYPO-UHFFFAOYSA-N 334.850 6.080 0 50 EKAA Fc1ccc(-c2nc3sc(-c4ccc(F)cc4)nc3s2)cc1 2960502 QTEMNSPHDKMTMD-UHFFFAOYSA-N 330.384 5.365 0 50 EKAA CC1(C)CCCC(C)(C)N1c1cc(-c2ccccc2)nc2ccccc12 4541728 QCMSMBVXIBSDNZ-UHFFFAOYSA-N 344.502 6.449 0 50 EKAA CCOc1ccc(OCCCCOc2cc(C)ccc2Cl)cc1 4702130 IJOOPFIEKVZCNT-UHFFFAOYSA-N 334.843 5.285 0 50 EKAA CC(C)(c1ccccc1)c1ccc2cc(O)cc(N3CCCCC3)c2c1 245130852 VARRXVHRTUYJLS-UHFFFAOYSA-N 345.486 5.862 0 50 EKAA COc1ccc(C(C)=O)cc1CSc1cc(C)c2ccccc2n1 169071 NFWXIVAWVISILM-UHFFFAOYSA-N 337.444 5.047 0 50 EKAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(C(C)(C)C)cc1 473426 IWGPJAWEXKQBBZ-CQSZACIVSA-N 325.427 5.105 0 50 EKAA CC[C@H]1CCCCN1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C 19743272 DOLFZYTXWKTKDB-KRWDZBQOSA-N 342.483 5.040 0 50 EKAA C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 35170250 HZJRRCMQPKSHRC-CMKMFDCUSA-N 348.273 5.220 0 50 EKAA COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)cc1 36621011 SYULATKZSCVXOM-GOSISDBHSA-N 344.842 5.026 0 50 EKAA C[C@H]1CCC[C@H](C)N1CC/C=C(\c1ccccc1)c1cccs1 96027822 YZDBBELREPRMOV-XYLSPAALSA-N 325.521 5.833 0 50 EKAA CSc1ccc(CN[C@@H](C)c2nc3ccccc3n2C(C)C)cc1 169990839 AIDOIRJHZANUTB-HNNXBMFYSA-N 339.508 5.190 0 50 EKAA CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)cc3)CC2)CC1 242701907 WQYLIZKSPNCLRH-IFSQOONMSA-N 330.531 7.486 0 50 EKAA CC(C)(C)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 248179248 XRQMGIQLKOIPKU-WYIZHRONSA-N 344.539 5.702 0 50 EKAA COc1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 397962 NNKHEBNRELJJSN-UHFFFAOYSA-N 345.613 5.299 0 50 EKAA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 3797541 GZOSMCIZMLWJML-VJLLXTKPSA-N 349.518 5.399 0 50 EKAA biogenic,fda O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CCCCCC1 13320419 DYETXOPGRYIECE-UHFFFAOYSA-N 334.769 5.203 0 50 EKAA CC(C)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859648 XNFHBVYEKFAQLX-UHFFFAOYSA-N 327.427 5.682 0 50 EKAA in-vitro CN(C)C(=S)SCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 226811 HOXPSLHGABYGKB-UHFFFAOYSA-N 339.570 5.067 0 50 EKAA c1ccc2sc(SCSc3nc4ccccc4s3)nc2c1 1668253 MXPRFFFCRFBOPX-UHFFFAOYSA-N 346.527 5.748 0 50 EKAA in-vitro C[C@@H]1CCCN(CCCCOc2ccc(Cl)c3ccccc23)C1 2823120 RDROBRDUURLING-MRXNPFEDSA-N 331.887 5.384 0 50 EKAA COc1ccc(C(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 3132171 RFODYLGSUFVOTJ-UHFFFAOYSA-N 338.491 6.296 0 50 EKAA O=C(Nc1ccc2scnc2c1)N1CCCCC[C@H]1c1ccco1 172411613 SYJKNTWRRRIOOE-HNNXBMFYSA-N 341.436 5.039 0 50 EKAA CC(=O)O[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257358322 STKWRJUKSJWSDX-PYWJFZRLSA-N 346.555 5.987 0 50 EKAA CCC[C@H](N[C@H]1CSC[C@@H]1C)c1ccc(Oc2ccccc2)cc1 2325822101 DAPKYTZETSLJCQ-NDXORKPFSA-N 341.520 5.661 0 50 EKAA CC(C)C1CCC([C@](C)(O)CNCc2csc3ccccc23)CC1 2325842361 WAUFOYWVUIFQGX-QYGXFBIXSA-N 345.552 5.204 0 50 EKAA C[C@@H](CCc1ccco1)N[C@H](C)c1ccc(Cl)c2ccccc12 2325870203 MUJIVWNKZVLVEY-LSDHHAIUSA-N 327.855 5.758 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1C 262163 VJLOQJMXSCNEPI-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccco4)c3)nc2c1 277304 ZCVORLFKJSHQGQ-CSKARUKUSA-N 344.370 5.048 0 50 EKAA CCOc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 543144 ZZNSKEYRHNLWRG-UHFFFAOYSA-N 341.794 5.251 0 50 EKAA COP(=O)(OC)[C@@H](Nc1ccc(C)cc1)c1c[nH]c2ccccc12 2495492 XEGWFBTYAOLYSE-GOSISDBHSA-N 344.351 5.073 0 50 EKAA C/C=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 257345655 FGSFYZNXYHDZKI-UHYYYQALSA-N 344.539 5.907 0 50 EKAA Cc1nc(-c2ccccc2F)sc1[C@@H](C)N[C@@H](C1CCC1)C1CC1 2325827402 FIRNZOGSFUBUJU-XIKOKIGWSA-N 344.499 5.487 0 50 EKAA CC1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 297562 RAJZWFWYHAQKQD-UHFFFAOYSA-N 328.264 5.080 0 50 EKAA COc1cc(C)c(NC(=O)c2ccccc2SC)cc1C(C)C 308310 NULUJRPDBRWWFD-UHFFFAOYSA-N 329.465 5.101 0 50 EKAA O=C(/C=C/c1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl 475809 MJPURPLJOCPPAA-QPJJXVBHSA-N 326.610 5.299 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(C)c1 557952 NEZQLHJLTRFUJX-UHFFFAOYSA-N 342.870 5.199 0 50 EKAA Oc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 2861821 DKXNAGSEWJOYBP-UHFFFAOYSA-N 336.338 5.278 0 50 EKAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 4854066 AWUVGJODILTFKA-FYYLOGMGSA-N 346.474 5.445 0 50 EKAA Cc1ccc([C@H](C)CCN(CCc2ccccc2)Cc2ccccc2)o1 5031966 QIHHKWSJFNWJKX-HXUWFJFHSA-N 347.502 5.827 0 50 EKAA CCn1c2ccccc2c2cc(-n3nncc3-c3ccccc3)ccc21 644154788 LJCANTASZGYJLG-UHFFFAOYSA-N 338.414 5.062 0 50 EKAA Fc1cccc(-c2ccc(Nc3cnc4ccccc4c3)nc2)c1F 2356164251 LJZATFKFZINBES-UHFFFAOYSA-N 333.341 5.319 0 50 EKAA Cc1c(C(=O)c2ccc(Cl)cc2)oc2c(Cl)cc(Cl)cc12 150768 HXKSKTVLUAVGHJ-UHFFFAOYSA-N 339.605 5.932 0 50 EKAA CSc1ccc(NC(=O)Oc2cc(Cl)ccc2Cl)cc1 398375 LHSHQATVOLXSTN-UHFFFAOYSA-N 328.220 5.326 0 50 EKAA Clc1cc(Br)c2oc(-c3ccccc3Cl)nc2c1 2518788 XLOPDLQDZCXEDJ-UHFFFAOYSA-N 343.007 5.564 0 50 EKAA CCCCc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 2989737 WUBQURUHHSRJCT-UHFFFAOYSA-N 334.419 5.245 0 50 EKAA Cc1cc2c(cc1C)C1c3cc(C)c(C)cc3C2c2cc(C)c(C)cc21 71782673 RWXYCSPUXUOCEL-UHFFFAOYSA-N 338.494 6.524 0 50 EKAA Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCC[C@@H]1c1ccco1 253433222 UDUUNOLCGYFKKU-LJQANCHMSA-N 347.418 5.019 0 50 EKAA c1ccc(C[C@H]2[C@@H]3[C@@H]4CC[C@H]5[C@@H]4[C@@H]4[C@@H]3[C@H]3[C@H]2[C@@H]2CC[C@H]6[C@H]5[C@H]4[C@H]3[C@H]62)cc1 257359116 YNVBYFVPGWTHNA-BYVLZYCSSA-N 342.526 5.141 0 50 EKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 48542 GVLAQFKDHSOSFB-UHFFFAOYSA-N 336.479 5.227 0 50 EKAA CCN(CC)c1ccc(NC(=S)Nc2cccc3ccccc23)cc1 611628 IHHNOIUTCZONAC-UHFFFAOYSA-N 349.503 5.495 0 50 EKAA CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccc(C)cc1 1392828 ZQXNLANYFQGKBU-UHFFFAOYSA-N 337.444 5.180 0 50 EKAA COc1ccccc1OCCOc1ccc(C(C)(C)C)cc1Cl 2990992 RVIIQEKQTVJMNN-UHFFFAOYSA-N 334.843 5.104 0 50 EKAA CN1CC[C@@H](c2ccccc2)[C@H](c2ccccc2)c2ccccc2C1 4759649 SNUVBTJYLUPNFL-BJKOFHAPSA-N 327.471 5.438 0 50 EKAA CCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 5591431 PHWIMVMNWHJCBG-JTHBVZDNSA-N 342.442 5.510 0 50 EKAA CCCC[C@H]1CC[C@H](c2ccc(I)cc2)CC1 245224452 WSVCQFMWNNGAEB-HDJSIYSDSA-N 342.264 5.755 0 50 EKAA in-vitro CSc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 38227 ZKFLZGMXQYOYHX-UHFFFAOYSA-N 337.897 5.183 0 50 EKAA CCc1cccc(CC)c1NC(=O)Nc1ccc(Br)cc1 394216 UCFLKSHNLJLHKS-UHFFFAOYSA-N 347.256 5.218 0 50 EKAA Cc1nc(SCc2ccccc2)c2cc(-c3ccccc3)sc2n1 1802654 GKQNHLVTVYRVPU-UHFFFAOYSA-N 348.496 5.959 0 50 EKAA Cc1cc2c(c(C)c1Cl)CN(c1cccc(C(F)(F)F)c1)CO2 2192225 DAZHPXPADISJOB-UHFFFAOYSA-N 341.760 5.332 0 50 EKAA CCCN(CCC)C(=O)C[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 4038256 XQPCADCBGDOLFB-WOJBJXKFSA-N 345.527 5.014 0 50 EKAA biogenic CCCOc1cccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)c1 6043891 HPQGSERTUHUBEZ-UHFFFAOYSA-N 335.403 5.006 0 50 EKAA C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 13745091 MHBCFTQDFTXAGT-MRVPVSSYSA-N 348.777 5.303 0 50 EKAA CC[C@H](c1cccnc1)n1cnc(-c2ccccc2)c1-c1nccs1 65408299 QWDISIRDDOPQGA-QGZVFWFLSA-N 346.459 5.068 0 50 EKAA C[Si](C)(C)C(=C=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C 169816700 FMLWRTYPCZDENE-UHFFFAOYSA-N 328.797 5.948 0 50 EKAA CCCc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](CCC)CC3)CC2)cc1 2088617603 WQGMAFRSIHBDRV-MLRKGSHFSA-N 326.568 7.519 0 50 EKAA CC(C)=CCCC(=O)Nc1ccc(-c2ccnc3ccccc23)cc1 2325852561 LBPOSEKLTHNQKD-UHFFFAOYSA-N 330.431 5.587 0 50 EKAA Cc1cccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 527559 SQNHGOIFALXUKW-UHFFFAOYSA-N 339.394 5.429 0 50 EKAA Cc1cc(C)cc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 2980381 DSGMALZWWGHUQK-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA CCCOc1ccc2c(=O)c(-c3ccccc3Cl)c(C)oc2c1C 2995530 XPJRPRWUVMCUAK-UHFFFAOYSA-N 342.822 5.519 0 50 EKAA O=C(N1CCCCCC1)n1cnc(-c2ccccc2)c1-c1ccccc1 4136541 KDUPAOIYIVROFQ-UHFFFAOYSA-N 345.446 5.061 0 50 EKAA CCCCCCc1ccc2c(c1)Cc1cc(Br)ccc1-2 57990029 NYQQEZMMKFKUHG-UHFFFAOYSA-N 329.281 6.143 0 50 EKAA CC(C)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 91689938 QMHUQACYEOZUBF-UHFFFAOYSA-N 338.234 5.231 0 50 EKAA Cc1ccc(N2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1 334163632 ZIMAKXCLEZVJPA-QFIPXVFZSA-N 338.410 5.226 0 50 EKAA Cc1nc(C2CCCCC2)sc1C(=O)NC[C@@]1(C)CCC[C@H]1C 1875357706 TWNODRQAXWADQZ-BFUOFWGJSA-N 334.529 5.055 0 50 EKAA C[C@H](CCc1ccco1)N[C@H](C)c1ccc(Cl)c2ccccc12 2325870202 MUJIVWNKZVLVEY-HUUCEWRRSA-N 327.855 5.758 0 50 EKAA ClC1=C(Cl)[C@]2(Cl)[C@@H]3CC=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 164066 XCJXQCUJXDUNDN-CCCGMHFHSA-N 338.876 5.024 0 50 EKAA C=CC(=O)N1c2cc(C)ccc2-c2c(ssc2=S)C1(C)C 173829 OILWBRHWPVXHHN-UHFFFAOYSA-N 333.503 5.282 0 50 EKAA CC(=O)c1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 621391 HDEDDGHKANESJE-UHFFFAOYSA-N 338.451 5.780 0 50 EKAA CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1ccc1ccccc21 2055680 YEURVKPGQHPDCQ-HXUWFJFHSA-N 345.442 5.493 0 50 EKAA C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1Cl 2774278 OAPBEAXCURUBCJ-IEZBTEQYSA-N 348.273 5.144 0 50 EKAA CC(=O)c1c(C)n(CCOc2cccc3ccccc23)c2ccccc12 2881490 PWWCQZCLDTYSLP-UHFFFAOYSA-N 343.426 5.385 0 50 EKAA O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(F)cc1 4542169 RBJSESNVJRKLPW-ZRDIBKRKSA-N 341.769 5.391 0 50 EKAA Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 4826874 BHAPZLTXWLKEFX-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA CC(C)C1=C[C@@](C)(C[C@H]2CC(=O)[C@]3(C)CC[C@H]4[C@H](C)CC[C@]243)CC1 71786096 IFAXKGYQEDXTIC-WDWCMOBISA-N 328.540 6.181 0 50 EKAA CC(C)C1CCC([C@](C)(O)CNCc2ccc3ccccc3c2)CC1 2325842096 OERXWKGPQRVWHX-ZUEZHPSSSA-N 339.523 5.143 0 50 EKAA COc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 88825 VGZASOWFJNZLBC-OAQYLSRUSA-N 349.405 5.261 0 50 EKAA Cc1c(Cl)cccc1NC(=O)c1sc2ccccc2c1Cl 176171 RITXEBMTLTXAGP-UHFFFAOYSA-N 336.243 5.769 0 50 EKAA CCCC(CCC)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 313169 WJFZDRWCFUFRFO-UHFFFAOYSA-N 336.435 5.650 0 50 EKAA CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 402830 YNNUSGIPVFPVBX-NHCUHLMSSA-N 343.898 5.104 0 50 EKAA biogenic,fda O=C(Nc1ccccc1C(F)(F)F)c1cccc(Cl)c1Cl 860439 APFZEULXSFCLFK-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1Cc1ccccc1 5482916 OBPPKEQATPTJQZ-UHFFFAOYSA-N 337.422 5.231 0 50 EKAA Cc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 5756379 YRVQDSOXFILBJR-JTHBVZDNSA-N 340.426 5.237 0 50 EKAA c1ccc(Oc2cccc(OCCCCCN3CCCCC3)c2)cc1 23115558 FCSRZYHXEGGMLX-UHFFFAOYSA-N 339.479 5.514 0 50 EKAA CC(C)(C)OC(=O)Nc1cccc(-c2cc3nc(Cl)ccc3[nH]2)c1 40450008 CVROMQJTWCETKX-UHFFFAOYSA-N 343.814 5.230 0 50 EKAA C[Si](C)(C)CCC[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F 169816721 DZTFJQYXBJGOEY-UHFFFAOYSA-N 340.484 5.026 0 50 EKAA C[Si](C1=CCCCC1)(c1ccccc1)c1cccc2ccccc12 169828506 WUMBBXVAKLRRQN-UHFFFAOYSA-N 328.531 5.072 0 50 EKAA Cc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 527341 AGRMZLFVKVZKOP-UHFFFAOYSA-N 332.428 5.830 0 50 EKAA in-vivo Fc1ccc(N2N=C(c3cccs3)C[C@@H]2c2cccs2)c(F)c1 4021517 JBBDMOTZSWYDSM-OAHLLOKOSA-N 346.427 5.444 0 50 EKAA CCCCc1ccc(NC(=S)Nc2nc3c(s2)CCCC3)cc1 13933885 BTFXHTWWIRNWJH-UHFFFAOYSA-N 345.537 5.173 0 50 EKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C[C@@H]12)C(=O)[C@@]12CC[C@@H](C)[C@@H]1CC[C@@]32C 71786351 QOHMQRPYGSPDAW-FYBAOTQMSA-N 342.567 6.116 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\CCC(=O)O 102185977 OHYKIJBTVXMLKX-AEDOYBSQSA-N 344.495 5.760 0 50 EKAA in-vitro COc1cccc(-c2cc(-c3ccccc3)c3ccc(C)cc3n2)c1 225783280 SQPTZALRAVLNPJ-UHFFFAOYSA-N 325.411 5.886 0 50 EKAA CCCC[C@]1(O)[C@@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245231366 CILLEQOHMDEEAL-NQDIBGKZSA-N 337.507 5.266 0 50 EKAA Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl 176162 XOCYDMUMWBHTPN-UHFFFAOYSA-N 336.243 5.769 0 50 EKAA CC(C)Oc1c(Cl)cc(/C=C2\C(=O)Nc3ccccc32)cc1Cl 465806 TVHSPDYYIXPKER-QPEQYQDCSA-N 348.229 5.273 0 50 EKAA CC(C)CC(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 557653 FATMQAPKCOYCNB-UHFFFAOYSA-N 344.414 5.633 0 50 EKAA COCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 1819103 GERHCRLSJYCTEQ-KRWDZBQOSA-N 336.479 5.033 0 50 EKAA biogenic Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c(Cl)c1 36620848 BZCRCYMDQRYQKD-GOSISDBHSA-N 328.843 5.326 0 50 EKAA CC(C)(C)N1CC[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 101359070 UIPXASUPMLVUNE-WOJBJXKFSA-N 343.898 5.319 0 50 EKAA Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 106495 JELFMWAFKDLUSC-UHFFFAOYSA-N 328.371 5.056 0 50 EKAA c1csc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)c1 404094 FXEJOIFDICYSSO-UHFFFAOYSA-N 330.524 6.934 0 50 EKAA in-vitro CCCC1CCC(c2ccc(-c3noc(-c4ccncc4)n3)cc2)CC1 2479444 UJZKPHPYMXBGTN-UHFFFAOYSA-N 347.462 5.873 0 50 EKAA O=C(Nc1ccc2c(c1)CCCC2)C(c1ccccc1)c1ccccc1 4761536 AUMGDZOLNRLLBQ-UHFFFAOYSA-N 341.454 5.336 0 50 EKAA COC(=O)CCCCCCCCCCCCCCCCC(=O)OC 37625037 ZOXMHKCFDXHCJX-UHFFFAOYSA-N 342.520 5.574 0 50 EKAA biogenic,in-vitro Clc1cc(Cl)c(Br)c(Br)c1Cl 65356626 YOFIECALMKRAOZ-UHFFFAOYSA-N 339.241 5.172 0 50 EKAA Cc1ccc([C@H]2CCCN2Cc2ncc(-c3cccs3)o2)cc1C 170623426 XOISJPIJZVAASO-QGZVFWFLSA-N 338.476 5.357 0 50 EKAA Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)CC1CCCCC1 2325842378 WQLUDVUQESSQMC-GHTZIAJQSA-N 329.528 5.805 0 50 EKAA COc1ccccc1N(C(=O)Nc1ccc(Cl)cc1)[C@@H](C)C1CC1 283619 RXPLDAVBFPTKAD-ZDUSSCGKSA-N 344.842 5.186 0 50 EKAA biogenic c1ccc(Oc2cccc(OCCCCN3CCCCC3)c2)cc1 2880415 AWYJAIHIBJZKIZ-UHFFFAOYSA-N 325.452 5.124 0 50 EKAA O=C(Nc1ccc(Sc2ccccn2)c(Cl)c1)C1CCCC1 4710140 COBFAJXZXNIQDM-UHFFFAOYSA-N 332.856 5.015 0 50 EKAA CCCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3Cl)=NN12 12490682 ODJXKWGUUXISDW-QUCCMNQESA-N 340.854 5.400 0 50 EKAA CC(C)c1ccc(-c2nnc(SCc3cccc(F)c3)n2C)cc1 13325572 AZSAXRZRJDOPHO-UHFFFAOYSA-N 341.455 5.037 0 50 EKAA CC(C)=CCCC1=CCC2(COC(c3cccnc3)OC2)[C@H](C)C1 3878453 LKOPHRVEIMMEIW-MDMXATFFSA-N 327.468 5.216 0 50 EKAA biogenic Cc1ccc(C)c(-c2nc(-c3cccc(O)c3)[nH]c2-c2ccccc2)c1 5125998 MGIGUVDCCANETD-UHFFFAOYSA-N 340.426 5.733 0 50 EKAA CCCC[C@H](CC)C[C@H](CC)COCCN(CCCC)CCCC 5298615 ZRONTZLCXUMGMO-VXKWHMMOSA-N 341.624 6.538 0 50 EKAA O=C(Nc1ccccc1OCc1ccccc1)c1ccccc1Cl 8905795 RVFOOXNOTLIZFQ-UHFFFAOYSA-N 337.806 5.171 0 50 EKAA CC(C)(C)c1cnc(CCC(=O)Oc2ccccc2-c2ccccc2)o1 225387265 HXJDGYVZACPRTL-UHFFFAOYSA-N 349.430 5.177 0 50 EKAA O=C(Nc1ccccc1[C@@H]1CC1(Cl)Cl)c1ccccc1Cl 1063562 JETJHIFXVOJGGL-LBPRGKRZSA-N 340.637 5.254 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1OC(F)F 2735626 VSZCTCCJLRSUMW-UHFFFAOYSA-N 347.148 5.239 0 50 EKAA Cc1sc(N)c(C(=O)OC(C)C)c1-c1ccc(CC(C)C)cc1 2789071 RNSKOKWBRZTQSS-UHFFFAOYSA-N 331.481 5.069 0 50 EKAA CCc1ccccc1NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 3068182 BDKDVTKTLXXPEP-NRFANRHFSA-N 341.454 5.194 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC 27645212 VCDLWFYODNTQOT-JDPCYWKWSA-N 342.523 6.637 0 50 EKAA in-vitro CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCCCC(=O)O 150373387 TWSWSIQAPQLDBP-LIJGZOPESA-N 332.528 6.997 0 50 EKAA in-vitro O=C(O)c1ccc(COc2ccc(-c3cccc(Cl)c3)cc2)cc1 1875354299 UDNRFGCXRWHSKA-UHFFFAOYSA-N 338.790 5.284 0 50 EKAA COc1ccc(C=O)cc1COc1c(Cl)cc(Cl)cc1Cl 35791 OUOCMYLFNSTZGI-UHFFFAOYSA-N 345.609 5.047 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl 2143192 IQKQMTCYHUALGW-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA Cc1noc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c12 20605091 BCQAMZSQGXZERL-UHFFFAOYSA-N 347.123 5.524 0 50 EKAA c1cc2c3c(cccc3c1)[C@H]1C[C@H]3c4cccc5cccc(c45)[C@@H]3C[C@H]21 101020226 UFWHXJPHNAASJP-SWIJEOLNSA-N 332.446 6.849 0 50 EKAA Cc1ccc2c(-c3ccccc3)nc(=Nc3cccc(Cl)c3)[nH]c2c1 328600722 ZGENCSSFHHFCRE-UHFFFAOYSA-N 345.833 5.424 0 50 EKAA COc1ccc(C2SCc3cc(C)c(C)cc3CS2)cc1OC 82165 GTEPWIGDOGADHK-UHFFFAOYSA-N 346.517 5.499 0 50 EKAA biogenic COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(Cl)c1 308302 SBKSLQLBSLLNFE-UHFFFAOYSA-N 344.720 5.011 0 50 EKAA CCC(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 444709 YUTPNACUHNNFJB-UHFFFAOYSA-N 335.190 5.150 0 50 EKAA CC(C)Cc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526066 NHKNMYMBZMWTPL-UHFFFAOYSA-N 339.822 5.452 0 50 EKAA C[C@H](N[C@@H](C)c1cccc2ccccc12)c1cccc2ccccc12 2569292 PEXNOWUVNJBAPF-ROUUACIJSA-N 325.455 6.405 0 50 EKAA CCCN(CCC)C(=O)C[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 4038258 XQPCADCBGDOLFB-PMACEKPBSA-N 345.527 5.014 0 50 EKAA biogenic CCc1cc2c(=O)c(Oc3ccc(C(C)C)cc3)c(C)oc2cc1O 6519564 VTOHQQOGTOQXLQ-UHFFFAOYSA-N 338.403 5.285 0 50 EKAA Cc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 13745489 ZVRSUKBBBGBTIS-VIFPVBQESA-N 329.252 5.246 0 50 EKAA CCC[C@@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 64859640 KTHPRMCSIRQVGE-QGZVFWFLSA-N 341.454 6.387 0 50 EKAA in-vitro C1=C[C@@H]2[C@H]1[C@]1(Cc3ccccc3)N=N[C@]2(Cc2ccccc2)[C@@H]2C=C[C@H]21 248099396 OVPRGOYKNGAKIF-JHXGOWNISA-N 338.454 5.033 0 50 EKAA Cc1ccccc1NC(=O)c1c(N)sc2c1CC[C@@H](C(C)(C)C)C2 305523 HJWIYGYEAATMPU-CYBMUJFWSA-N 342.508 5.042 0 50 EKAA COc1ccc(C)cc1NC(=S)Nc1cccc(Cl)c1Cl 611229 GANRGOSCPQQDMW-UHFFFAOYSA-N 341.263 5.119 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1C 859574 KOVQPCMXVSEVPG-UHFFFAOYSA-N 342.870 5.199 0 50 EKAA C/C=C/c1ccc(OCCCCOc2ccccc2F)c(OC)c1 4701787 AKRMJNKLSCBEME-FPYGCLRLSA-N 330.399 5.105 0 50 EKAA CC1(C)C[C@]2(C)OC(=O)N(CCc3ccccc3)[C@@]2(C)c2ccccc21 4727308 WSZCDWPCCIAWOM-GOTSBHOMSA-N 349.474 5.037 0 50 EKAA Cc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 4956918 NMXGKWOITGCXEA-UHFFFAOYSA-N 328.371 5.056 0 50 EKAA CCC[C@@H](Nc1cn(C)nc1CC)c1ccc(Oc2ccccc2)cc1 1875342641 AODKQLAXBJZDPU-OAQYLSRUSA-N 349.478 5.728 0 50 EKAA CCOc1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1 153563 VHENMACGAMSIQR-UHFFFAOYSA-N 328.412 5.400 0 50 EKAA Clc1ccc(CSc2nc3ccccc3s2)cc1Cl 5519619 QSBZMVNCYHYDIV-UHFFFAOYSA-N 326.273 5.895 0 50 EKAA CC/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)O 38224017 DCFKVKFLEPMEGT-QBEJVNRSSA-N 344.495 5.760 0 50 EKAA in-vitro Fc1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 2325720328 JHBODAQKKZXQCE-UHFFFAOYSA-N 338.329 5.712 0 50 EKAA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 570056 KVBHNVCKHSXXCR-UHFFFAOYSA-N 342.442 5.206 0 50 EKAA Cc1cccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)c1 1791723 NHSBJLNRUPNWAY-UHFFFAOYSA-N 338.501 5.904 0 50 EKAA Clc1ccc(-n2nc(-c3cccs3)nc2C2[C@@H]3CCC[C@@H]23)cc1 1875347694 COJRJRJJLBJAGX-ZIAGYGMSSA-N 341.867 5.163 0 50 EKAA O=C(O)c1ccc(COc2ccc(-c3ccccc3Cl)cc2)cc1 1875353834 HOVOBABABXMMGD-UHFFFAOYSA-N 338.790 5.284 0 50 EKAA Cc1cccc(C)c1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 441428 YKFOZDBGTJLRHA-NRFANRHFSA-N 347.483 5.776 0 50 EKAA Cc1ccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1 444732 XPANXNIDULSBIB-UHFFFAOYSA-N 325.415 5.657 0 50 EKAA C[C@@H](c1ccccc1)n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S 608529 ZQURPMWENBPUMK-AWEZNQCLSA-N 337.492 5.514 0 50 EKAA CCC1(CC)O[C@@H](c2cc(Cl)c(O)c(OC)c2)Nc2ccccc21 1072406 AJGNZSDGAUOAGX-SFHVURJKSA-N 347.842 5.210 0 50 EKAA COc1cc(C=O)c(Cl)cc1OCc1ccc(Cl)cc1Cl 2776472 QVLHFSKVPOXPNY-UHFFFAOYSA-N 345.609 5.047 0 50 EKAA O=C(O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl 65355232 GWYSQXFESGGDRG-UHFFFAOYSA-N 338.790 5.284 0 50 EKAA in-vitro Cc1cc(C)c(-n2c[n+](-c3c(C)cc(C)cc3C)c(C)c2C)c(C)c1 114649565 BVFOPPHCLHEDBT-UHFFFAOYSA-N 333.499 5.221 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)N3CCc4ccccc4C3)sc2c1 68297 JJGVLNKJCSNTOA-UHFFFAOYSA-N 341.863 5.062 0 50 EKAA Clc1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 472157 JJFCRORGWGPRAL-UHFFFAOYSA-N 346.817 5.529 0 50 EKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1C[C@@H]1c1ccccc1 476218 OUDZZEPJMZRYDF-MNOVXSKESA-N 340.637 5.389 0 50 EKAA CC(C)=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C 900673 VEMKTZHHVJILDY-UXHICEINSA-N 338.447 5.152 0 50 EKAA biogenic,in-man Cc1cccc(C)c1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 4542083 WBWDACUJDACKQW-VAWYXSNFSA-N 333.456 5.684 0 50 EKAA CC[C@H](NC[C@H](CO)Cc1ccccc1C)c1cccc2ccccc12 2325841601 AVRGLCIXMDBDLT-DVECYGJZSA-N 347.502 5.040 0 50 EKAA Cc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 64513 MDZCPRZACBHGOM-RMKNXTFCSA-N 339.744 5.319 0 50 EKAA O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccccc12 2760835 VHJWXXQPLJPIFG-UHFFFAOYSA-N 345.229 5.468 0 50 EKAA CCc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)s1 2786485 FBECQDUTLODBDH-UHFFFAOYSA-N 345.777 5.001 0 50 EKAA CCCCNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 2900673 PKESULSHGBOOMV-UHFFFAOYSA-N 339.545 5.135 0 50 EKAA c1ccc(C2CCC(N3CCC(N4CCCCCC4)CC3)CC2)cc1 4560123 SYLBLEOYCXBICW-UHFFFAOYSA-N 340.555 5.053 0 50 EKAA CC(=O)Nc1ccc(Nc2cc(C(C)C)c(O)c(C(C)C)c2)cc1 5061179 BSHWZVRHFWOHAT-UHFFFAOYSA-N 326.440 5.341 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC 27644512 XJXHWCQMUAZGAN-ORZIMQNZSA-N 334.544 6.919 0 50 EKAA in-vitro CCCCCCn1c2ccccc2c2cc(Br)ccc21 205320545 HYUCKXZMLJFXSS-UHFFFAOYSA-N 330.269 6.137 0 50 EKAA in-vitro CC(C)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 99433 HYPVOCJEGIIMFA-UHFFFAOYSA-N 330.431 5.425 0 50 EKAA Cc1c(C)c2ccc(OCc3ccc(Cl)cc3Cl)cc2oc1=O 454583 AXTHOTQHDQFTKR-UHFFFAOYSA-N 349.213 5.296 0 50 EKAA CCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(C)cc3)=NN21 4854087 CGHXBMDJGVVKRQ-AZUAARDMSA-N 340.854 5.318 0 50 EKAA Cc1ccc(C(C)(C)C[C@@H](C)N[C@H](C)c2cccc3ccccc23)o1 5031800 NPORLOPTWBLJAH-SJLPKXTDSA-N 335.491 6.148 0 50 EKAA Fc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 6338254 KPKCPYKHROLIPA-IFMALSPDSA-N 344.389 5.068 0 50 EKAA Fc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccco2)cc1 15076359 VNKWAPDRBOXSLC-QFIPXVFZSA-N 346.405 5.048 0 50 EKAA CCc1cc(=O)c2cc(-c3cc4cc(C(C)C)ccc4s3)ccc2[nH]1 1875329566 CYUZWMLCMBAHJK-UHFFFAOYSA-N 347.483 6.096 0 50 EKAA C/C=C/C(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C 445096 LWAHBNCNNUQJEJ-AATRIKPKSA-N 347.530 5.672 0 50 EKAA Clc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)nc1 613285 WRXIKTULRNYLJD-UHFFFAOYSA-N 337.835 5.755 0 50 EKAA Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 968335 OOGJQPCLVADCPB-FQEVSTJZSA-N 325.496 5.341 0 50 EKAA biogenic,world COc1ccc(-c2ccccc2)cc1NC(=O)Nc1ccccc1C 2885304 VVGFABXBJWBDGF-UHFFFAOYSA-N 332.403 5.315 0 50 EKAA O=P(Nc1ccccc1)(Oc1ccccc1)Oc1ccccc1 4530667 FZNQHYXSPNEFAI-UHFFFAOYSA-N 325.304 5.365 0 50 EKAA C[C@@H]1CCc2c(-c3n[nH]c(=S)n3C3CCCCC3)csc2C1 6175685 HVSARAWVVQSSLW-LLVKDONJSA-N 333.526 5.299 0 50 EKAA C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccccc1Cl 1875289415 PTESBNZNCALNTP-QGZVFWFLSA-N 349.861 5.744 0 50 EKAA Clc1cc(Sc2nc3ccccc3s2)nc(-c2ccoc2)n1 1875328743 KMOFJBOEXXFUFY-UHFFFAOYSA-N 345.836 5.151 0 50 EKAA C[C@@H]1C[C@@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1 81305 IUCCFZPZAWERPQ-DNVCBOLYSA-N 348.471 5.340 0 50 EKAA COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 208787 SMSBSALFCXGBFA-UHFFFAOYSA-N 346.213 5.408 0 50 EKAA COc1ccccc1N(C(=O)Nc1ccc(Cl)cc1)[C@H](C)C1CC1 283620 RXPLDAVBFPTKAD-CYBMUJFWSA-N 344.842 5.186 0 50 EKAA biogenic Cc1ccc(SCCC(=O)Nc2ccccc2C(F)(F)F)cc1 382686 ISJMLJBSZDIZSP-UHFFFAOYSA-N 339.382 5.135 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 2846694 MUJHDIWQYIHJPL-UHFFFAOYSA-N 348.273 5.752 0 50 EKAA CC(C)[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 2862247 PNLROTUQVOYKBL-XMMPIXPASA-N 343.470 5.410 0 50 EKAA Cc1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 3079526 PDANFCGRNRWJBT-UHFFFAOYSA-N 335.259 6.169 0 50 EKAA Cc1nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2nc1C 3464548 CYDWOTNQLCLCOU-UHFFFAOYSA-N 342.402 5.044 0 50 EKAA Fc1ccc(F)c(NC(=S)Nc2cccc(Cl)c2Cl)c1 17068501 BHRDYPLXYMUESF-UHFFFAOYSA-N 333.190 5.081 0 50 EKAA C[C@H]1CCC[C@@H](C)N1C(=O)c1sc2cc(Cl)ccc2c1Cl 17071499 YDCXGDQXCVNQGE-AOOOYVTPSA-N 342.291 5.611 0 50 EKAA CCc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 36620760 YTLPAHHKPZURJH-SFHVURJKSA-N 328.843 5.271 0 50 EKAA CC(C)C[C@@H](NCC1(c2cccc(Cl)c2)CC1)c1ccccn1 1875336758 GMDOZGQKYDPGBD-LJQANCHMSA-N 328.887 5.144 0 50 EKAA CCc1ccccc1NC(=O)Oc1cc(C)c(Br)cc1C 398367 SVVIAOUBCWEKBB-UHFFFAOYSA-N 348.240 5.239 0 50 EKAA Cc1c(NC(=O)C2CCCCC2)cccc1NC(=O)C1CCCCC1 5536945 OKMLLLONNSXUTN-UHFFFAOYSA-N 342.483 5.033 0 50 EKAA c1ccc(CSCc2cccc(NCc3cncs3)c2)cc1 151040976 WRRDHDXGCXQTKR-UHFFFAOYSA-N 326.490 5.189 0 50 EKAA Cc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 433696 SKKKSVYBRORTEZ-UHFFFAOYSA-N 328.371 5.056 0 50 EKAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2C)c2ccccc2)cc1 482455 PCGVRPOTZGPHPH-JOCHJYFZSA-N 344.410 5.084 0 50 EKAA COc1ccc(C2=N[C@@H](c3ccccc3)C=C(c3ccccc3)O2)cc1 3107145 YNEADGQMOSGPFV-OAQYLSRUSA-N 341.410 5.254 0 50 EKAA O=C(O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 4204236 HIXMMDMXBCYZQQ-UHFFFAOYSA-N 334.215 5.089 0 50 EKAA in-vitro CCC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 5247016 LZSOOHLAZHOTHJ-JVTHYKSUSA-N 330.512 5.050 0 50 EKAA C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl 143144016 JSGCDAKRIPGQSF-KZBLUPIWSA-N 348.273 5.220 0 50 EKAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 252320862 YQNTWNOXMQOVET-XANVIZKASA-N 329.871 5.607 0 50 EKAA CSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 582885 ZKGAMRHQHFHAJK-UHFFFAOYSA-N 335.428 5.453 0 50 EKAA Cc1ccc(OCCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1777331 XFYREPJNQBDZIW-UHFFFAOYSA-N 338.234 5.100 0 50 EKAA CCCN(CCC)C(=O)C[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 4038254 XQPCADCBGDOLFB-UXHICEINSA-N 345.527 5.014 0 50 EKAA biogenic CCCCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 4803362 PZNKYSSOMIKUKS-UHFFFAOYSA-N 344.867 5.745 0 50 EKAA CCc1c(-c2nnc(-c3ccc(Cl)cc3Cl)o2)csc1C 17071072 JFCIRQYDXXZBDH-UHFFFAOYSA-N 339.247 5.643 0 50 EKAA CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl 36621216 AHPSMKRCKJEKLF-QGZVFWFLSA-N 344.842 5.108 0 50 EKAA CSc1cc(NC(=O)c2csc(C3CCCCC3)c2)ccc1C 2325840466 BFEZYXSBFIIWCY-UHFFFAOYSA-N 345.533 6.078 0 50 EKAA CC(C)c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 145117 UBOGGQLGAAFCJH-UHFFFAOYSA-N 338.234 5.134 0 50 EKAA Cc1ccc(SCc2ccc(C(=O)NC3CCCCC3)cc2)cc1 571647 KFKVMNXMOKOOKO-UHFFFAOYSA-N 339.504 5.350 0 50 EKAA Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 1066625 NWKLVLCFUJGHMU-QGZVFWFLSA-N 331.415 5.068 0 50 EKAA Brc1ccc2sc3ccc(Br)cc3c2c1 2173237 WNEXSUAHKVAPFK-UHFFFAOYSA-N 342.055 5.580 0 50 EKAA O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccccc1 2838975 SKJWRNQPAKKFQA-UHFFFAOYSA-N 349.433 6.273 0 50 EKAA CC(C)C(NC(=O)c1ccc(CSc2ccccc2)cc1)C(C)C 2994840 VGBOLMOKOLNBAM-UHFFFAOYSA-N 341.520 5.389 0 50 EKAA Clc1cccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c1 3897209 SAEMXQXWFKVTMX-NRFANRHFSA-N 332.834 5.696 0 50 EKAA COc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccs3)C2)cc1 4010526 VRKBBDGXDMUOAI-LJQANCHMSA-N 334.444 5.112 0 50 EKAA CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O 30731054 HVGRZDASOHMCSK-HZJYTTRNSA-N 336.560 7.445 0 50 EKAA in-vitro CC(C)[C@@H]1CC[C@@H]2C[C@@H]3[C@@H](C[C@@H]12)C(=O)[C@@]12CC[C@@H](C)[C@@H]1CC[C@@]32C 71786337 IDKZLVVDDCTAHM-NSJFIHAGSA-N 328.540 5.726 0 50 EKAA CC(C)=CCC[C@@]1(C)Oc2cc(C)cc3c2[C@H]2C[C@@](C)(CC[C@@H]21)O3 1772820508 XJZUAVILVOHKCU-PEYKTXOXSA-N 326.480 5.927 0 50 EKAA Cc1cc(C(=O)O)ccc1-c1ccc(-c2ccc(C(=O)O)cc2C)cc1 1857795600 FQIBTEMKVHZJKB-UHFFFAOYSA-N 346.382 5.034 0 50 EKAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc2ccccc12 44318 RGRMTRZXDADKBI-BBRMVZONSA-N 334.246 5.370 0 50 EKAA O=C(CCC1CCCCC1)N1c2ccccc2Sc2ccccc21 312363 XFKKNOKJYCEMCB-UHFFFAOYSA-N 337.488 6.176 0 50 EKAA O=C(CSc1cc(Cl)ccc1Cl)Nc1cccc(Cl)c1 443121 FDOMNHDEVCGTHV-UHFFFAOYSA-N 346.666 5.378 0 50 EKAA Cc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 613429 MQGUEQMEWMGANQ-UHFFFAOYSA-N 336.247 5.564 0 50 EKAA CCOc1c(Cl)cccc1NC(=O)c1ccc(Cl)cc1Cl 4866660 RODOBYOQFOLEEN-UHFFFAOYSA-N 344.625 5.298 0 50 EKAA Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccc(F)cc2)cc1 5617831 HEYKWZQBOFEPAN-JOCHJYFZSA-N 348.396 5.629 0 50 EKAA Cc1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)nc1 6076238 PRJHVJVPBAQKIT-UHFFFAOYSA-N 340.319 5.068 0 50 EKAA FC(F)(F)c1ccc(NC(=S)Nc2ccccc2Cl)cc1 16237487 IKNYGQIDDSMGIZ-UHFFFAOYSA-N 330.762 5.168 0 50 EKAA CCCC[Sn](CCCC)(CCCC)CCCC 169743017 AFCAKJKUYFLYFK-UHFFFAOYSA-N 347.175 6.636 0 50 EKAA Cc1cn(Cc2ccc(C3CCCCC3)cc2)c(=O)n1-c1ccccc1 2325863405 IJWXJGILKYDNRX-UHFFFAOYSA-N 346.474 5.043 0 50 EKAA C[C@@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 73910 LOXHDXPXZQUHGG-SFHVURJKSA-N 345.442 5.398 0 50 EKAA Cc1ccc(CCC(=O)Nc2ccc(/C=C/c3ccccc3)cc2)o1 543230 VNJKITYRMOHEAL-CMDGGOBGSA-N 331.415 5.330 0 50 EKAA Cc1ccc(Cl)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1752673 BDDPRIPIZSZUCF-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA CCCCCN(CCCCC)C(=S)Nc1cccc(Cl)c1 2768032 UHYOVXICYJXNSC-UHFFFAOYSA-N 326.937 5.719 0 50 EKAA Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 2884975 UEGPLFUCHRBIRA-QGZVFWFLSA-N 346.430 5.145 0 50 EKAA CC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 34961946 YUZXOJOCNGKDNI-GFGLCNPQSA-N 344.495 5.520 0 50 EKAA in-vitro Cc1ccccc1CCNc1ncnc2sc(-c3ccccc3)cc12 2325709963 SQGKKWQZSXYCEG-UHFFFAOYSA-N 345.471 5.321 0 50 EKAA CCC[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc(Oc2ccccc2)cc1 2325822321 QDXYVNCTOZGMEK-HBGVWJBISA-N 325.452 5.087 0 50 EKAA O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc(Cl)s1 179453 RFKJTPMILUSGRM-UHFFFAOYSA-N 344.848 5.417 0 50 EKAA CCCCc1cc(=O)oc2cc3occ(-c4ccc(OC)cc4)c3cc12 2126392 CKCGDYDCEDQTMD-UHFFFAOYSA-N 348.398 5.557 0 50 EKAA biogenic Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1 2168656 OWEIAGSMFHSSES-UHFFFAOYSA-N 332.287 5.714 0 50 EKAA in-vitro C[C@H]1CCCN(CCCCOc2ccc(Cl)c3ccccc23)C1 2823119 RDROBRDUURLING-INIZCTEOSA-N 331.887 5.384 0 50 EKAA C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc2c(c1)CCCC2 2848238 OMQFCSLLOQABCG-KRWDZBQOSA-N 343.470 5.139 0 50 EKAA Cc1ccc(C(C)(C)C[C@H](C)NCc2cccc(C(F)(F)F)c2)o1 5031785 YLVMPFPAOKYUPV-ZDUSSCGKSA-N 339.401 5.453 0 50 EKAA CC(C)Cc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 5908579 UELQFMIIOGIVOG-UHFFFAOYSA-N 339.822 5.452 0 50 EKAA c1ccc(OCCCn2c(-c3cccs3)nc3ccccc32)cc1 12376782 OUGGGNFBIPZKCF-UHFFFAOYSA-N 334.444 5.234 0 50 EKAA Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2C(=O)c1ccco1 201475 JLROJHWRDIXFRX-AEFFLSMTSA-N 331.415 5.159 0 50 EKAA COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 3091935 XNGYGYCHKIIUTD-UHFFFAOYSA-N 345.398 5.056 0 50 EKAA CCc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 4185887 DSZWWJVZQKAXRH-UHFFFAOYSA-N 329.399 5.330 0 50 EKAA C(=C/c1ccccc1)\CNc1cccc(-c2nc3ncccc3o2)c1 5427317 IWJSLDLGQGJRLW-WEVVVXLNSA-N 327.387 5.015 0 50 EKAA C1=C(c2ccccc2)N2CCO[C@]23CCCC[C@H]3[C@H]1c1ccccc1 230009997 IIWHIPPFNCKTOT-GIWBLDEGSA-N 331.459 5.044 0 50 EKAA C[C@H]1C[C@H](CNc2ccc(Oc3ccc(Cl)cc3)cc2)CCO1 2325864194 INAYCEGQHIGIPK-LSDHHAIUSA-N 331.843 5.359 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1Cl 166824 BDFGJUPCYWBTHS-UHFFFAOYSA-N 333.668 5.109 0 50 EKAA Cc1ccc2nc(-c3cccc(NC(=O)c4cccs4)c3)oc2c1 884410 TWSKVZSWIKEUDX-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)cc1 1791319 WRSRMDNECKEDOE-UHFFFAOYSA-N 342.394 5.347 0 50 EKAA Cc1ccc(C(C)C)cc1OCCCOc1cccc2cccnc12 2983851 PCPRGPHSBSAORJ-UHFFFAOYSA-N 335.447 5.515 0 50 EKAA CC[C@H](C)c1ccc(-c2c(C)sc(N)c2C(=O)OC(C)C)cc1 5910242 VDLBELHYTBBCCX-LBPRGKRZSA-N 331.481 5.384 0 50 EKAA CSc1ccccc1NC(=S)Nc1ccc(F)c(Cl)c1 609241 YQUVLFXVJAIBTH-UHFFFAOYSA-N 326.849 5.010 0 50 EKAA CCn1c(SCc2cccc(F)c2)nnc1-c1cccc(Cl)c1 1076955 VRQHYRGXBILVRA-UHFFFAOYSA-N 347.846 5.050 0 50 EKAA O=C(c1ccc(Cl)c(Cl)c1)c1cnc(Nc2ccccc2)s1 1395917 SVEZLFIDJBZDOE-UHFFFAOYSA-N 349.242 5.425 0 50 EKAA Cc1ccc(-c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1 1402772 VPUSXTVSZMCUIX-UHFFFAOYSA-N 343.839 5.416 0 50 EKAA Cc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 1910521 NIEPZYPSDQUYRJ-UHFFFAOYSA-N 331.843 5.063 0 50 EKAA Cc1oc(-c2ccoc2)nc1CN(C)Cc1cc2ccccc2s1 12301338 QKYKMFAVQOBMOV-UHFFFAOYSA-N 338.432 5.090 0 50 EKAA c1cc2ccc1CCCCCCCCCCCCc1ccc(cc1)C2 71782783 CAFPOHHQRDPFIQ-UHFFFAOYSA-N 334.547 7.277 0 50 EKAA Nc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2 114632320 UCFDALUXSMNRHK-UHFFFAOYSA-N 331.418 5.612 0 50 EKAA Fc1c(Br)cc(OCc2ccccc2)cc1C(F)(F)F 261494447 XULLROLWKBKRDF-UHFFFAOYSA-N 349.121 5.186 0 50 EKAA Cc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1 389454 GWOKNCATBSOWGP-UHFFFAOYSA-N 345.265 5.625 0 50 EKAA Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3)cc2)cc1 571950 HCNGRHIJXLQUFK-UHFFFAOYSA-N 347.483 5.217 0 50 EKAA O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1-c1ccccc1 618329 CVBVKPHEOOGUKY-UHFFFAOYSA-N 325.770 5.398 0 50 EKAA COc1ccc(-c2csc(NCc3ccc(Cl)cc3)n2)cc1 4110004 AZBABCCOFNKWFW-UHFFFAOYSA-N 330.840 5.084 0 50 EKAA Cc1ccc(C(C)(C)C[C@@H](C)NCc2ccc(C(F)(F)F)cc2)o1 5031790 SXFQQSCMSZCOGL-CYBMUJFWSA-N 339.401 5.453 0 50 EKAA O=C(/C=C/c1c(F)cccc1Cl)Nc1cccc(C(F)(F)F)c1 475663 NKLXKQCSQMSYBW-BQYQJAHWSA-N 343.707 5.150 0 50 EKAA Cc1ccc2nc(-c3ccc(Cl)cc3Cl)cc(C(=O)O)c2c1 2735667 BXCYHDBPZVCIEN-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA Cc1ccc(C)c(N2CCN(C3CCC(C(C)(C)C)CC3)CC2)c1 4981236 VUSMAYSHGBFLIO-UHFFFAOYSA-N 328.544 5.030 0 50 EKAA CCCCN1CC[C@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 101359056 LDCAVJYDEQRFHB-LEWJYISDSA-N 343.898 5.320 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)c1cccc(Br)c1 140363 ZXRCNPLZDRGULZ-UHFFFAOYSA-N 332.241 5.133 0 50 EKAA CCOc1ccccc1NC(=O)/C=C/c1c(Cl)cccc1Cl 147085 HGTZZJQTUYSZOM-ZHACJKMWSA-N 336.218 5.044 0 50 EKAA Cc1c(NC(=O)c2ccccc2F)cccc1-c1nc2ccccc2o1 859302 VFGWOTLBQAKEIG-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(Cl)c1 3092945 VQRDGFCGRDVKBB-UHFFFAOYSA-N 332.684 5.142 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 3809850 LGEQQWMQCRIYKG-DOFZRALJSA-N 347.543 5.241 0 50 EKAA endogenous,in-man CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500218 ZSLFGNQZRMYDJQ-SCEVQDCISA-N 344.539 5.151 0 50 EKAA biogenic CCc1ccc(OCCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 1773467 RXOXLLYFWNLELD-UHFFFAOYSA-N 331.843 5.009 0 50 EKAA CCCCOc1ccc(N[P@](C)(=O)Oc2cc(C)cc(C)c2)cc1 2963477 UOSKXEJRONGPBH-XMMPIXPASA-N 347.395 5.796 0 50 EKAA Cc1cc(Cl)cc(Cl)c1OCCOc1cccc2cccnc12 2983777 PRZIYBVMQGXKGC-UHFFFAOYSA-N 348.229 5.308 0 50 EKAA COC(=O)C[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 5273587 LAWJUFPULQZGLF-SLFFLAALSA-N 326.565 6.625 0 50 EKAA biogenic COc1ccc(O)c(C2=Nc3ccccc3N=C(c3cccs3)C2)c1 13126398 AWGSHONTSWHLEI-UHFFFAOYSA-N 348.427 5.108 0 50 EKAA CCOP(OCC)N(c1ccccc1)P(C(C)C)C(C)C 22014373 STYPKESEPWTJSI-UHFFFAOYSA-N 329.361 6.007 0 50 EKAA Cc1ccc2onc(-c3cnc4c(c3)COc3ccc(Cl)cc3-4)c2c1 71785271 OMDPLZHGEUKFRI-UHFFFAOYSA-N 348.789 5.411 0 50 EKAA CO[C@H](C)c1cccc(NC(=O)c2cccc(-c3ccccn3)c2C)c1 132516589 SYODDHPGCZFLJB-MRXNPFEDSA-N 346.430 5.017 0 50 EKAA CN1Cc2ccccc2[C@H]1C1c2ccccc2CCc2ccccc21 2172328 FAZGOYZHDVJKNJ-DEOSSOPVSA-N 325.455 5.104 0 50 EKAA CCOc1ccc(OCCCCOc2ccc(Cl)c(C)c2)cc1 2983787 YWBHGZJONGRURA-UHFFFAOYSA-N 334.843 5.285 0 50 EKAA CN1CCC[C@@H]1CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1 3830574 YNNUSGIPVFPVBX-RTWAWAEBSA-N 343.898 5.104 0 50 EKAA biogenic,world O=C(Nc1cccc2cccnc12)c1sc2ccccc2c1Cl 44148 MVBNRXRGNMGFHL-UHFFFAOYSA-N 338.819 5.355 0 50 EKAA O=C(Nc1ccccc1C(F)(F)F)Nc1cccc2ccccc12 182082 VSQZAFNNCVYGIM-UHFFFAOYSA-N 330.309 5.503 0 50 EKAA Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)c(C)c1 348254 PIROFACRKHGMGV-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1Cl 465405 JEZWPZBUBSIASC-UHFFFAOYSA-N 336.822 6.019 0 50 EKAA Oc1c(-c2ccccc2)cc(-c2ccccc2)c(O)c1-c1ccccc1 3107476 XIHRWELJVJDGER-UHFFFAOYSA-N 338.406 6.099 0 50 EKAA Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)n1 5041163 OPAHKRCHICHONQ-UHFFFAOYSA-N 347.039 5.038 0 50 EKAA CC(C)=CCCC1=CC[C@H](COC(=O)Nc2ccccc2)[C@H](C)C1 211001 XYVMZXFVHJLCOA-IEBWSBKVSA-N 327.468 5.954 0 50 EKAA biogenic COc1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1Cl 621599 GLPBJUQIHRQGNL-UHFFFAOYSA-N 341.263 5.119 0 50 EKAA O=C(Nc1ccccc1Cl)c1ccccc1CCc1ccccc1 1066211 LVZCLMUCHSWWAE-UHFFFAOYSA-N 335.834 5.378 0 50 EKAA O=C(CCCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 2878573 DFSAXNYZCOEDIE-UHFFFAOYSA-N 341.760 5.320 0 50 EKAA CC(C)c1nocc1-c1nc(-c2cccc(Oc3ccccc3)c2)no1 904588903 BKXHZWGHQBJPAF-UHFFFAOYSA-N 347.374 5.307 0 50 EKAA CC(C)c1ccc(O)c(-c2nc([C@@H](c3ccccc3)C(C)C)no2)c1 1875335969 NTCDZVOYDDROHN-LJQANCHMSA-N 336.435 5.354 0 50 EKAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc2ccccc2o1 278980 UCAFLWGXHSNGPC-UHFFFAOYSA-N 325.367 5.256 0 50 EKAA Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 433749 LCCNYFHIPAMPLD-OUKQBFOZSA-N 334.444 5.079 0 50 EKAA CC(CC(=O)c1ccc(Cl)cc1)CC(=O)c1ccc(Cl)cc1 448863 IZAFHIBKQPFNFK-UHFFFAOYSA-N 335.230 5.475 0 50 EKAA Cc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)c(C)c1 1015687 DOUZTRHODGBSOM-UHFFFAOYSA-N 346.455 6.138 0 50 EKAA CCCCOc1ccc(N[P@@](C)(=O)Oc2cc(C)cc(C)c2)cc1 2963479 UOSKXEJRONGPBH-DEOSSOPVSA-N 347.395 5.796 0 50 EKAA CCCCCC[C@H](C/C=C/CCCCCCCC(=O)OC)C(C)=O 4577735 QWHOFHWIXLHASS-RDPWEWGOSA-N 338.532 6.012 0 50 EKAA Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)cc1C 4970221 KRHITIYFNHDEKX-UHFFFAOYSA-N 349.437 5.858 0 50 EKAA CC[C@@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 71746261 DFTLLFXLJMPATM-MRXNPFEDSA-N 327.427 5.997 0 50 EKAA in-vitro COc1ccc(C)cc1NC(=O)Nc1ccc(Oc2ccccc2)cc1 609301 LLAPPWHJHQOGNI-UHFFFAOYSA-N 348.402 5.440 0 50 EKAA Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1NC(=O)Cc1ccccc1 2946945 RAOWBNYYIVWPRK-UHFFFAOYSA-N 337.507 5.771 0 50 EKAA Brc1cc(Br)cc(Oc2ccccc2)c1 40860194 FOXBZJLXVUHYQZ-UHFFFAOYSA-N 328.003 5.004 0 50 EKAA in-vitro Cc1cc(C)c(C)c(COc2ccc3c(C)c(C)c(=O)oc3c2)c1C 302454 KXRURWYAADTCFW-UHFFFAOYSA-N 336.431 5.223 0 50 EKAA O=C(COc1ccc2ccccc2c1)Nc1cccc2ccccc12 442897 LKWWNDSNWFKCJY-UHFFFAOYSA-N 327.383 5.011 0 50 EKAA CCc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 619071 YXSAIIUBNDLAMH-UHFFFAOYSA-N 325.264 5.365 0 50 EKAA Cc1ccc2ccccc2c1COc1ccc2c(C)cc(=O)oc2c1 859606 KBVVIDNYHUWFGC-UHFFFAOYSA-N 330.383 5.142 0 50 EKAA biogenic Cc1ccc(-c2cn3cc(Cc4cccc(Cl)c4)sc3n2)cc1 1165032 AVBAEJFRCZUPQH-UHFFFAOYSA-N 338.863 5.615 0 50 EKAA Cc1ccc(Cl)c(C(O)(c2ccccc2)c2ccccc2)c1Cl 4795648 PFBJXRLPURZCCR-UHFFFAOYSA-N 343.253 5.586 0 50 EKAA CC[C@@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 4809591 BIJWVJKGNQELKC-GOSISDBHSA-N 336.460 5.251 0 50 EKAA CCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 64984804 PFSCCOVEBMEMJK-OAQYLSRUSA-N 336.479 5.707 0 50 EKAA C[C@H](Cc1c(-c2ccccc2)ncn1C1CCOCC1)c1ccccc1 65433659 SXMACTUWHHGSKK-GOSISDBHSA-N 346.474 5.248 0 50 EKAA C[C@@H]1C[C@@H]2CCc3ccc4ccccc4c3[C@H]2c2c1ccc1ccccc21 253590138 QGYAOHODJSDTPT-GLEILKSWSA-N 348.489 7.195 0 50 EKAA Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 171035 JCZURLCGWXJKCO-UHFFFAOYSA-N 347.201 5.209 0 50 EKAA Cc1c(Cl)cccc1NC(=O)Nc1cccc(C(F)(F)F)c1 1741553 QFPPPGQTTWWPHW-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA CC(=O)c1cccc(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=C\CC[C@H]32)c1 253387574 BJQOSONJQCUKEY-ZDYKHYKRSA-N 337.463 5.157 0 50 EKAA Cc1cc(Br)cnc1-c1[nH]c2ccc(Cl)cc2c1C 670426607 PWMGRGZXMSJXQD-UHFFFAOYSA-N 335.632 5.263 0 50 EKAA C[C@H](N[C@H](C)c1csc2ccccc12)c1cccc(-n2cccn2)c1 2325877983 ATZZDUROECFBCD-JKSUJKDBSA-N 347.487 5.499 0 50 EKAA Cc1ccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 99455 MREPIQKTLPYTGE-NSHDSACASA-N 349.217 5.492 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl 364054 XETQKGARGVYSDI-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1 441645 PRJRSYQOUCQUPM-UHFFFAOYSA-N 347.802 5.247 0 50 EKAA CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 505757 OSAHTLQFJCJIKL-LBPRGKRZSA-N 335.806 5.010 0 50 EKAA O=C(CSCc1cccc(Cl)c1)Nc1ccc(F)c(Cl)c1 2817211 ILEWFSJWBUFRFI-UHFFFAOYSA-N 344.238 5.004 0 50 EKAA Clc1ccc(OCCCCCCOc2ccc(Cl)cc2)cc1 2880303 KKQXTMRMWWZZCD-UHFFFAOYSA-N 339.262 6.012 0 50 EKAA CCCSc1ccccc1C(=O)Nc1ccccc1C(F)(F)F 6702517 FVDWMCBHHIBNEG-UHFFFAOYSA-N 339.382 5.460 0 50 EKAA c1ccc(C2CCC(N3CCN(C4CCCCCC4)CC3)CC2)cc1 19790082 IVNLWENARCLAEA-UHFFFAOYSA-N 340.555 5.053 0 50 EKAA Clc1ccc2c(c1)c1cc(Cl)ccc1n2CN1CCCCC1 19854706 JADVCVRZSJSHGY-UHFFFAOYSA-N 333.262 5.545 0 50 EKAA O=C(CCCc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 372462 RPITULPGOOEJHU-UHFFFAOYSA-N 341.760 5.320 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Oc1ccc(C2CCCCC2)cc1 398848 TUHKRDZPSMAYLX-UHFFFAOYSA-N 329.827 5.999 0 50 EKAA Cc1cc(Cl)cc(C)c1OC(=O)Nc1cccc(Cl)c1Cl 401883 CANHLTIMMQWVBC-UHFFFAOYSA-N 344.625 5.875 0 50 EKAA Clc1ccc(OCc2ccccc2)c(-c2nc3ccccc3[nH]2)c1 404830 INEHVQRHSCHQDH-UHFFFAOYSA-N 334.806 5.462 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)CSCc1ccccc1Cl 454477 DCRITPLFEQOTPA-UHFFFAOYSA-N 340.275 5.174 0 50 EKAA Cc1ccc(OCc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 466785 QIMWGQQBILTABK-UHFFFAOYSA-N 345.442 5.443 0 50 EKAA Cc1ccccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 619159 ZEEXLNKCQHLVIG-UHFFFAOYSA-N 334.444 5.596 0 50 EKAA CCOc1ccc(Cl)cc1CNc1ccc(Br)cc1 619765 UCFWTJBREBREFJ-UHFFFAOYSA-N 340.648 5.113 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)Oc3ccccc3)ccc21 2823204 DBNYVTNBODYYMW-UHFFFAOYSA-N 330.387 5.425 0 50 EKAA Cc1ccc(NC(=O)CSc2cccc(Cl)c2)cc1Cl 5013744 RSNWKEXGWQGYDR-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C 14975027 VIZBSVDBNLAVAW-UHFFFAOYSA-N 326.484 6.017 0 50 EKAA in-vivo O=C(Nc1ccc(Cl)c(C(F)F)c1)[C@H]1C[C@H]1Cc1ccccc1 1875362537 JFCZVXZUUVFQAJ-OCCSQVGLSA-N 335.781 5.095 0 50 EKAA CC[C@H](C)c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325823683 AMJDBDCCDAVKIT-ZDUSSCGKSA-N 326.440 6.206 0 50 EKAA Cc1cc(C)cc(O[P@@](C)(=O)Nc2ccc(OC(C)C)cc2)c1 203177 WXPYLYAURPBRGQ-HSZRJFAPSA-N 333.368 5.404 0 50 EKAA CCOc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 361008 HRPJOBKOWOIIHF-UHFFFAOYSA-N 331.371 5.237 0 50 EKAA Cc1c(-c2ccc(Cl)cc2)[n+]2c(C)csc2n1-c1ccccc1 401041 IJCPUBWLNGHRBV-UHFFFAOYSA-N 339.871 5.215 0 50 EKAA Cc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c(C)c1 453243 NTIBLVUOJWRULW-UHFFFAOYSA-N 334.448 5.127 0 50 EKAA O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Sc2nc3ccccc3n21 615110 VZZIOMGQWBUYIN-AWEZNQCLSA-N 349.242 5.220 0 50 EKAA CCOc1ccc(Cc2c(C)nc3c(C)cccc3c2Cl)cc1 2490110 RUWFXRVVAHDRJF-UHFFFAOYSA-N 325.839 5.495 0 50 EKAA O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCc1ccc(Cl)cc1 2549314 GNRVPDUWXDJVNJ-XNTDXEJSSA-N 347.845 5.337 0 50 EKAA CCN(Cc1ccccc1)C(=O)c1sc2ccccc2c1Cl 2728458 CLMBJCGYAXQBTO-UHFFFAOYSA-N 329.852 5.217 0 50 EKAA Fc1cccc(CSc2nnc(SCc3ccccc3)s2)c1 4995526 REFFWAMCUXXBQQ-UHFFFAOYSA-N 348.493 5.262 0 50 EKAA CSc1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c1 13745068 YILXRAOTKNDKGG-VIFPVBQESA-N 326.874 5.006 0 50 EKAA CC[C@H](C)CCCCCCCCCCCCCCCCC(=O)O 14591164 WSRCOZWDQPJAQT-FQEVSTJZSA-N 326.565 7.359 0 50 EKAA biogenic,in-vitro CCC[C@H](N[C@H](C)c1ccc[nH]1)c1ccc(Oc2ccccc2)cc1 2325822118 DZAYNALMBBVIFU-VGSWGCGISA-N 334.463 5.999 0 50 EKAA CC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 132610 ZWOWLXTZZKJLPL-UHFFFAOYSA-N 339.398 5.243 0 50 EKAA Fc1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 621194 CLOXBCUMOWHZHP-UHFFFAOYSA-N 330.362 5.015 0 50 EKAA O=C(Nc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 1752594 SGAZHGKJHYMFNS-UHFFFAOYSA-N 332.684 5.142 0 50 EKAA O=C1C[C@@H](c2ccccc2C(F)(F)F)c2ccc3ccccc3c2N1 195254 BJSQZALPXFVENL-INIZCTEOSA-N 341.332 5.333 0 50 EKAA C(=C/c1cccs1)\C1=NN(c2ccccc2)[C@@H](c2cccs2)C1 234822 ZVRGFIIQETVMJI-DOJUMQAQSA-N 336.485 5.830 0 50 EKAA COc1ccc(-c2n[nH]c(C)c2Oc2ccc(C(C)C)cc2)c(O)c1 307970 KPOQVYBAODBPGX-UHFFFAOYSA-N 338.407 5.015 0 50 EKAA Cc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(Cl)cc1 453030 XDCAASZQYVLDSC-UHFFFAOYSA-N 346.814 5.163 0 50 EKAA CC(C)c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 471474 AQMSKBXJEWFUBR-UHFFFAOYSA-N 338.234 5.134 0 50 EKAA Cc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1F 2519813 WMTHWPIUSJZOEP-UHFFFAOYSA-N 333.406 5.486 0 50 EKAA CCC[C@H]1CC[C@H](c2ccc(I)cc2)CC1 245219556 QBYHVVBZXPJPKK-JOCQHMNTSA-N 328.237 5.365 0 50 EKAA in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=C(F)C[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]32)C1 254756910 NQPNKHPRIRGDJL-BZROMVQESA-N 334.475 5.568 0 50 EKAA COC(=O)c1ccccc1N[C@@H]1CC2=C(CC1(C)C)C(C)(C)CCC2 301364 BTTMOZHWPWUFHV-LJQANCHMSA-N 341.495 5.580 0 50 EKAA Cc1ccc(SCCC(=O)Nc2ccccc2-c2ccccc2)cc1 617057 RRXIYFFBUSFWGK-UHFFFAOYSA-N 347.483 5.783 0 50 EKAA Cc1cccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1 3176961 INGHOEFWPBMJEZ-UHFFFAOYSA-N 334.366 5.881 0 50 EKAA Clc1cccc(Cc2nnc(CC34CC5CC(CC(C5)C3)C4)o2)c1 6925962 WPTWKLYKQUPXFV-UHFFFAOYSA-N 342.870 5.073 0 50 EKAA O=C(Nc1ccc(F)cc1F)N1CCCCC[C@@H]1c1cccs1 15867133 YPNKUSBQEMOWNO-OAHLLOKOSA-N 336.407 5.176 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 450811 HZKJJZNCAHQSRZ-ZDUSSCGKSA-N 345.870 5.488 0 50 EKAA CCCc1cc(=O)oc2c(C)c(OCc3ccc(Cl)cc3)ccc12 454771 WAHIYAGADWBRCU-UHFFFAOYSA-N 342.822 5.286 0 50 EKAA CSc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 1741763 KGDVFDITDSTXHC-UHFFFAOYSA-N 326.343 5.071 0 50 EKAA CC(C)c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 1807093 WPXGBTNCAAXAKW-UHFFFAOYSA-N 342.486 5.835 0 50 EKAA Cc1ccc(SC(=O)N2c3ccccc3Sc3ccccc32)cc1 2104935 OVRWVTNEJFYCOA-UHFFFAOYSA-N 349.480 6.510 0 50 EKAA Cc1ccccc1OCCCCn1c2ccccc2c2ccccc21 2992139 ACFDFCNVCMYSLF-UHFFFAOYSA-N 329.443 5.962 0 50 EKAA CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 4769162 ZVGQOQHAMHMMNE-BIBIXIOVSA-N 330.512 5.169 0 50 EKAA biogenic Clc1ccc(OCc2nc3ccccc3n2Cc2ccccc2)cc1 99156 VNOJQXZUQYWAJF-UHFFFAOYSA-N 348.833 5.317 0 50 EKAA Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 348035 CLTPNVFZDCXCQC-UHFFFAOYSA-N 329.399 5.356 0 50 EKAA O=c1c(-c2ccccc2)c(S)sc(S)c1-c1ccccc1 1721961 SEBANRXRDDGSFC-UHFFFAOYSA-N 328.483 5.020 0 50 EKAA COc1ccc(-c2cc(N(C(C)C)C(C)C)c3ccccc3n2)cc1 4542892 WWTJEFUDRGQDTB-UHFFFAOYSA-N 334.463 5.534 0 50 EKAA Clc1ccc(Oc2cccc(CNc3ccc4c(c3)CCC4)c2)cc1 4981266 XFENSRDQOKFBHD-UHFFFAOYSA-N 349.861 6.233 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 13745116 UZUUBXUGCSHRMX-VIFPVBQESA-N 329.252 5.246 0 50 EKAA CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]21C[C@@H]1c1ccc(-c2ccccc2)cc1 245255821 LJGRSEJSOKZMJP-DVJXIFHOSA-N 330.471 5.853 0 50 EKAA O=C1OC(c2ccccc2)(c2ccccc2)c2cccc3cccc1c23 4765018 FFLUSACBFUTHFY-UHFFFAOYSA-N 336.390 5.302 0 50 EKAA c1ccc(C[C@@H](NCc2c[nH]c3ccccc23)c2ccccc2)cc1 19642735 HUUNUNYGLNQOMP-HSZRJFAPSA-N 326.443 5.242 0 50 EKAA biogenic CC1=C[C@@H]2C(C(=O)Oc3ccc4ccccc4c3)=C[C@H]1C[C@@H]2C(C)C 71773457 GVTUQEGQEVADFM-NRSPTQNISA-N 332.443 5.540 0 50 EKAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1[nH]c2ccc(C)cc2c1C 91755874 VPRJJMAXFGITBK-HXUWFJFHSA-N 349.478 5.183 0 50 EKAA CCC(=O)[C@@H]1[C@H](OC)C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257345544 APPBLCHOWOIYLW-RVTPZCNISA-N 346.555 5.639 0 50 EKAA CC(F)(F)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 257345909 MVEPLWKMZCHUJS-PRGVCLAKSA-N 338.482 5.870 0 50 EKAA CCC[C@H](NC[C@@H]1CC[C@H]2C[C@@H]21)c1ccc(Oc2ccccc2)cc1 2325822375 TZJOBNXUKAHLBP-ZZTDLJEGSA-N 335.491 5.956 0 50 EKAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)cc1 67588 BATNSVJBIQGZIX-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA CC1=C(CCN2CCN(c3ccc(Cl)cc3)CC2)C(C)(C)CCC1 214086 YDVADRWWYOLYDQ-UHFFFAOYSA-N 346.946 5.379 0 50 EKAA CCOc1ccc(CNc2cc(-c3ccccc3)ccc2OC)cc1 279930 ZNJXWHGQWUQSMJ-UHFFFAOYSA-N 333.431 5.373 0 50 EKAA CC(C)C[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 5164992 MUSFHKHRDRKTKH-AZUAARDMSA-N 340.854 5.256 0 50 EKAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 6680794 VBRKHYVVZHWUSP-FYYLOGMGSA-N 340.426 5.237 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)Oc1cccc2cccnc12 395491 RBEDPQDPGWETPQ-UHFFFAOYSA-N 333.174 5.153 0 50 EKAA O=C(CCc1ccccc1)Nc1ccc2oc(-c3ccccc3)nc2c1 618068 JZIGDLXQHIBTFF-UHFFFAOYSA-N 342.398 5.066 0 50 EKAA CC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1748772 LOSAYZQTPQUBLS-UHFFFAOYSA-N 332.399 5.047 0 50 EKAA in-vitro CCOc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1 4712871 XITVGDJHUALHIK-FQEVSTJZSA-N 348.471 5.503 0 50 EKAA Cc1cc(N[C@H](C)c2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 21799061 MFUHSKDJXGLDPL-OAHLLOKOSA-N 346.409 5.017 0 50 EKAA C1=CC23C=Cc4ccc5ccc(cc5c42)/C=C\c2ccc4ccc1c3c4c2 101094257 HXTCSJGNLGPEAW-UPHRSURJSA-N 340.425 6.817 0 50 EKAA CCC[C@]1(O)[C@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 248197215 QYKFGQQFZQYMFW-UDMCKFQASA-N 337.507 5.218 0 50 EKAA Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1 268264 GVGAERRTKFYAQM-UHFFFAOYSA-N 329.321 5.747 0 50 EKAA Clc1ccccc1-c1nnc(C2CCC(c3ccccc3)CC2)o1 296043 OMBKQMKCOVHZSY-UHFFFAOYSA-N 338.838 5.831 0 50 EKAA CCOC(=O)/C=C1/CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257345717 GYQSKOGOCVOEJI-VLDTYRPYSA-N 344.539 5.909 0 50 EKAA CC1(C)CC(=O)c2c(nc3c(c2-c2ccccc2)C(=O)CC(C)(C)C3)C1 124304 DUUZRIONZQHQIQ-UHFFFAOYSA-N 347.458 5.059 0 50 EKAA CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccccc1 209111 XMNUQHGPNISGQA-QFIPXVFZSA-N 347.458 5.159 0 50 EKAA COc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 450017 TUWRHUOHHAMCED-UHFFFAOYSA-N 349.455 5.240 0 50 EKAA Cc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)cc1 2558451 MFGODLSQKHMGMA-ZDUSSCGKSA-N 342.508 5.042 0 50 EKAA C=Cc1ccc(COc2ccc3c(CCCC)cc(=O)oc3c2)cc1 3220011 GJYWIABHJQHCGV-UHFFFAOYSA-N 334.415 5.358 0 50 EKAA CCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 16609980 SFRPDSKECHTFQA-ONOWFSFQSA-N 342.523 6.471 0 50 EKAA in-man CCCCCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 4471470 XHCNCWPBQPUGMV-DQRAZIAOSA-N 336.504 6.029 0 50 EKAA CCOC(=O)CCCCCCCCCCOc1ccc(C(C)=O)cc1 4582289 GYXUKYDKPREPJC-UHFFFAOYSA-N 348.483 5.342 0 50 EKAA O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Nc1ccccc1 18254472 QMXZFFBFCJBUQI-UHFFFAOYSA-N 346.817 5.592 0 50 EKAA Clc1ccc(-c2nnc(SCc3ccccc3)o2)c(Cl)c1 35519 DAWVIXYYTGKMBG-UHFFFAOYSA-N 337.231 5.336 0 50 EKAA O=C(Cc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1Cl 441391 WXKMWWSCJQBDNV-UHFFFAOYSA-N 349.044 5.481 0 50 EKAA Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 482309 OINBQKOEVIUBQG-UHFFFAOYSA-N 337.806 5.693 0 50 EKAA Cc1ccc(C)c(Nc2nc(NCc3ccco3)c3ccccc3n2)c1 2895400 CTVZCTBHNCQXFQ-UHFFFAOYSA-N 344.418 5.195 0 50 EKAA Cc1c(C(=O)Nc2nc(-c3ccccc3)cs2)oc2ccccc12 5724658 XNHDUDQJCXFVIC-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA CC[C@H]1CCCCCN1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 170635673 SKMBQCFXWBYKJN-HNNXBMFYSA-N 348.535 5.122 0 50 EKAA Cc1cc(=N[C@H](C)CCC(C)(C)C)c2cc(OC(F)F)ccc2[nH]1 2325853448 PXAWPXAYNNYONY-GFCCVEGCSA-N 336.426 5.193 0 50 EKAA Cc1c2occ(-c3ccc(F)cc3)c2cc2c3c(c(=O)oc12)CCCC3 95276 XYFQMYZPNLLBOB-UHFFFAOYSA-N 348.373 5.533 0 50 EKAA biogenic CC(C)CC(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 305971 UWEOSFPCTHVEAL-UHFFFAOYSA-N 328.799 5.133 0 50 EKAA CC(C)(C)c1ccc(NC(=O)Nc2nnc(C3CCCC3)s2)cc1 455451 BZWCRRDNBHRCDP-UHFFFAOYSA-N 344.484 5.137 0 50 EKAA CCCC(=O)Nc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1 1209697 XNQZQSBARSMVTG-UHFFFAOYSA-N 330.387 5.387 0 50 EKAA CCCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 2147341 QHNILFMSXXXQHA-UHFFFAOYSA-N 336.357 5.544 0 50 EKAA CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC 14494864 AZXVZUBIFYQWJK-KWRJMZDGSA-N 326.521 5.558 0 50 EKAA in-vitro C[Si](C)(C)C1(C(Sc2ccccc2)Sc2ccccc2)CC1 169828812 VZNWYRXUJPPLNM-UHFFFAOYSA-N 344.621 6.770 0 50 EKAA Cc1ccc(-c2nc(CN(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cs2)o1 230197325 SXNFOWZTVWQJTO-MLGOLLRUSA-N 342.464 5.060 0 50 EKAA c1ccc(Nc2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1 1857777616 ZHVOQKHZCNGWET-UHFFFAOYSA-N 334.422 6.527 0 50 EKAA CCOc1ccccc1Nc1nc(-c2sc(C)nc2C)cs1 190440 MHGXEGCQMMJVMX-UHFFFAOYSA-N 331.466 5.026 0 50 EKAA CC(C)(C)[C@H]1CCc2c(sc3nc(-c4cccs4)oc(=O)c23)C1 304528 LPWBFEIYYOHZON-JTQLQIEISA-N 345.489 5.129 0 50 EKAA Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 442529 ZLQCAWWLBDKXAX-HXUWFJFHSA-N 333.456 5.467 0 50 EKAA CCCc1cc(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 2101468 MZGDDQSYUXRICG-UHFFFAOYSA-N 338.790 5.812 0 50 EKAA biogenic CCCOc1cc(OCCC)c2c(=O)cc(-c3ccccc3)oc2c1 3176624 BWKNULQHFLYJHS-UHFFFAOYSA-N 338.403 5.038 0 50 EKAA biogenic Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 4919421 OPGXFALPKICZSR-GFCCVEGCSA-N 338.234 5.016 0 50 EKAA O=C(Nc1cccc2cccnc12)N(c1ccccc1)c1ccccc1 8714294 SKIFDHDXGDAZAA-UHFFFAOYSA-N 339.398 5.605 0 50 EKAA CC[C@@H]1CCCCN1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C 19743270 DOLFZYTXWKTKDB-QGZVFWFLSA-N 342.483 5.040 0 50 EKAA Cc1nc2ccccc2n1C(=O)N(c1ccccc1)c1ccccc1 552918 CWEXDKBBURNVAN-UHFFFAOYSA-N 327.387 5.151 0 50 EKAA Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Cl 13320094 MGXJAHCCEFKIKH-UHFFFAOYSA-N 346.711 5.450 0 50 EKAA C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)s1 13745095 DYFVQJPYGUOWHV-MRVPVSSYSA-N 348.777 5.303 0 50 EKAA CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(C)C)cc1 20573065 LGGJQEQFXWRKLF-OAQYLSRUSA-N 336.479 5.572 0 50 EKAA O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 245238346 LDWOCVLKNFPNQW-YZEZTEGZSA-N 345.486 6.107 0 50 EKAA CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]32)C1 253610019 FQADBEOLIYAFDV-UXKSMNOYSA-N 346.555 5.494 0 50 EKAA Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(C)c3)c2)cc1 1875317861 LCGOBAHGTZASMN-UHFFFAOYSA-N 330.431 5.292 0 50 EKAA Cc1ccc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 469666 OHAUAPFVKABURA-GFCCVEGCSA-N 339.382 5.133 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 514661 FKMPLCNHIYUWLG-UHFFFAOYSA-N 327.733 5.228 0 50 EKAA COc1ccc(C)cc1NC(=S)Nc1ccccc1-c1ccccc1 611492 LDCSOBHWYMKBPD-UHFFFAOYSA-N 348.471 5.480 0 50 EKAA CC(C)(C)c1ccc(-c2cc(N3CCOCC3)c3ccccc3n2)cc1 4541717 FNYBNTAJCVOMSO-UHFFFAOYSA-N 346.474 5.036 0 50 EKAA Cc1ccc(C)c([C@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 5793809 DEOYDVAGDKZVNR-RMJOCGACSA-N 325.496 5.087 0 50 EKAA Cc1oc(-c2cccs2)nc1CN(C)[C@H]1CCCc2ccccc21 15064487 VGIBQNXZSSUUCC-SFHVURJKSA-N 338.476 5.221 0 50 EKAA COc1cc(Cl)c(C)cc1NC(=O)c1cccc2ccccc12 496779 BDWANLZIDSLMSN-UHFFFAOYSA-N 325.795 5.063 0 50 EKAA Oc1ccccc1[C@H]1CC(c2cccs2)=Nc2ccccc2S1 8380490 MHUNNKXFEJVDHE-LJQANCHMSA-N 337.469 5.812 0 50 EKAA Cc1ncc(CN2CCc3c([nH]c4ccccc34)[C@@H]2C(C)(C)C)s1 15064430 KWAZLDUZQRQHJF-LJQANCHMSA-N 339.508 5.078 0 50 EKAA O=C(Nc1ccc(Cl)cc1)N1CCCCC[C@H]1c1cccs1 15866978 MNOYFIHUEULWSY-HNNXBMFYSA-N 334.872 5.551 0 50 EKAA CCOC(=O)c1c(Cl)cc(-c2c(CC)cccc2CC)nc1C 115868466 PRSMJQAYZMLGIE-UHFFFAOYSA-N 331.843 5.012 0 50 EKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(F)cc3)CC2)CC1 245189282 LIALNGUAWCANCX-VVPTUSLJSA-N 346.486 6.144 0 50 EKAA COc1ccc(C[C@H](C)N[C@@H](C)c2cccc3ccccc23)cc1OC 217423 PUWIKFREHDQCHT-IRXDYDNUSA-N 349.474 5.139 0 50 EKAA Cc1ccccc1-c1cc(C(=O)N2CCCCCC2)c2ccccc2n1 433993 HWPJTFBCIMXVQB-UHFFFAOYSA-N 344.458 5.226 0 50 EKAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 469239 CVPOMPWHYNRNHN-OVCLIPMQSA-N 349.817 5.784 0 50 EKAA CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(OC)cc2OC)cc1 610824 GTQFZGALFOGIOI-CYBMUJFWSA-N 344.480 5.026 0 50 EKAA CC[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 13329011 UOYCUJAHFPREIN-XAPRQVHKSA-N 346.902 5.059 0 50 EKAA C[C@@H](F)CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705026 ROEZBBZNFJXHOC-CQSZACIVSA-N 329.459 5.644 0 50 EKAA in-vitro CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]32)C1 1857795354 XRQMGIQLKOIPKU-CXWWUJLYSA-N 344.539 5.702 0 50 EKAA CC(C)(C)C1(C)CC(C(=O)NC(CC2CCCC2)CC2CCCC2)C1 1875343784 UPSHVPALQVJPGO-UHFFFAOYSA-N 347.587 6.094 0 50 EKAA Cc1ccc(Cl)cc1N[P@@](C)(=O)Oc1ccc(Cl)cc1 275317 MWVJJSRZSJHYEQ-FQEVSTJZSA-N 330.151 5.616 0 50 EKAA CCOc1cccc(OCCOc2c(C)cc(Cl)cc2Cl)c1 4701931 IEVAJCAXWTXDMS-UHFFFAOYSA-N 341.234 5.158 0 50 EKAA Fc1ccccc1Cn1c(/C=C/c2ccccc2)nc2ccccc21 4978973 HCPHTMZFRXAGFE-CCEZHUSRSA-N 328.390 5.394 0 50 EKAA COc1cccc2ccc(/C=C/c3cccc(Cl)c3Cl)nc12 5013595 HBFQWAYTTYBYCK-CSKARUKUSA-N 330.214 5.721 0 50 EKAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21 20605165 IRMXNOFTPFJDPP-UHFFFAOYSA-N 347.384 5.452 0 50 EKAA FC(F)(F)Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 32570 OJAURKNHTQRPOD-UHFFFAOYSA-N 338.716 5.530 0 50 EKAA CCc1ccc(O[P@](C)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 288783 BPNGOJFPOZBYJV-NRFANRHFSA-N 344.178 5.870 0 50 EKAA C/C=C/c1ccc(OCCCCOc2ccc(F)cc2)c(OC)c1 2994764 UBDJSKREZFYTSY-ZZXKWVIFSA-N 330.399 5.105 0 50 EKAA CC1=CC[C@@H](c2cnc(-c3ccccc3)c(C)c2)N[C@@H]1c1ccccc1 3877681 BFOABBHAZZULHP-UPVQGACJSA-N 340.470 5.779 0 50 EKAA CCn1c(SCc2ccc(Cl)cc2)nnc1-c1csc(C)c1 17072646 GXBLLCGKFXLAQQ-UHFFFAOYSA-N 349.912 5.281 0 50 EKAA Cc1ccc(OCc2nc3ccccc3n2[C@@H](C)c2ccccc2)cc1 203101 DVUPRNCEBVVKKC-SFHVURJKSA-N 342.442 5.533 0 50 EKAA COc1ccc(Br)cc1CNc1cc(Cl)ccc1C 469736 ARZOPLOGIGJTCI-UHFFFAOYSA-N 340.648 5.032 0 50 EKAA CC(C)c1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526058 RYQQAQNEDFHGGS-UHFFFAOYSA-N 325.795 5.377 0 50 EKAA C[C@H](c1ccccc1)[C@H](c1ccccc1)[S@](C)(O)c1ccccc1 102311938 OMFZFWWNUYODPN-XMSQKQJNSA-N 336.500 6.498 0 50 EKAA O=C(O)C1CCC(N[C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 263439171 VQWIORFXPNQMGS-XUJQIHCRSA-N 349.902 5.194 0 50 EKAA c1ccc2[nH]c([C@@H]3CCCCN3Cc3ccn(C4CCCC4)n3)cc2c1 1875318509 PXTPYSPEEJOVCF-QFIPXVFZSA-N 348.494 5.207 0 50 EKAA Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)nc2c1 277310 SNGRXQFNWSESGF-PKNBQFBNSA-N 344.370 5.048 0 50 EKAA Cc1cc(Br)cc(C)c1NC(=O)c1ccc(C(C)C)cc1 308781 IPGZXDABDKHTCX-UHFFFAOYSA-N 346.268 5.442 0 50 EKAA CC(C)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 470139 FWEIHZYGTGQOSQ-UHFFFAOYSA-N 333.884 5.335 0 50 EKAA CC[C@H](C)c1ccc([C@@H](C)NC(=O)Nc2cccc(SC)c2)cc1 13321216 KHNHKLVGGFASDL-LSDHHAIUSA-N 342.508 5.805 0 50 EKAA Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 35476479 KSESSWZXMFGHQL-GOSISDBHSA-N 328.843 5.326 0 50 EKAA CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccsc2C(C)=O)cc1 426597159 CAKVHMKKCOHHDF-KRWDZBQOSA-N 341.476 5.022 0 50 EKAA COc1cc(/C=C/c2ccc(O)cc2)cc(/C=C/c2ccc(O)cc2)c1 1775953711 QGVLNUVXFGTMFC-ZUVMSYQZSA-N 344.410 5.447 0 50 EKAA Cc1oc2c(c(C)cc3oc(=O)c4c(c32)CCC4)c1-c1ccccc1 95409 DWJMVWVSFXIVMQ-UHFFFAOYSA-N 330.383 5.312 0 50 EKAA biogenic Cc1nc(Oc2ccc3ccccc3c2)c2c3c(sc2n1)CCC3 351025 WUXTZWVDBSCLIA-UHFFFAOYSA-N 332.428 5.434 0 50 EKAA Cc1ccc(SCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 2531712 GAMDZSBIQBCMIO-UHFFFAOYSA-N 325.260 5.667 0 50 EKAA CC(=O)c1ccc2c(c1)C1c3ccccc3C2c2ccc(C(C)=O)cc21 4416336 OESDWOKYEQAAOA-UHFFFAOYSA-N 338.406 5.079 0 50 EKAA Cc1cc(C)c2nc(-c3cccc(OC(C)C)c3)cc(C(=O)O)c2c1 4651994 SQDLGZLCCPECPO-UHFFFAOYSA-N 335.403 5.004 0 50 EKAA Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 36621000 RZABCWXERPXAAD-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA CCO[C@@H](C)c1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1 1506420209 YLJOBBMBOFTKSU-KRWDZBQOSA-N 337.463 5.077 0 50 EKAA Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C)c1 455877 OIVDNLLQRYQNBN-OAQYLSRUSA-N 347.483 5.776 0 50 EKAA CCN(C(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1 456404 PTCSFJWTRUMHCU-OAQYLSRUSA-N 347.483 5.573 0 50 EKAA O=C(Cc1ccccc1)Nc1ccccc1-c1nc2ccccc2s1 559923 GBKDXJVPDPHBFG-UHFFFAOYSA-N 344.439 5.145 0 50 EKAA O=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 1577671 QRQHCGWCUVLPSQ-UHFFFAOYSA-N 334.418 6.252 0 50 EKAA in-vitro Cc1nc(SCc2ccc(Cl)cc2Cl)nc2c1CCCC2 2851580 FYZTXUOZCUPEAW-UHFFFAOYSA-N 339.291 5.263 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc2ccccc2c1 2887148 OYDJTCXSXYTRLW-UHFFFAOYSA-N 332.190 5.186 0 50 EKAA CCCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 3072998 VNZLIWQRCRMEOO-UHFFFAOYSA-N 333.431 5.557 0 50 EKAA O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2Cl)o1 4542743 CXTVDCSQOLPADG-UHFFFAOYSA-N 333.721 5.131 0 50 EKAA O=C(Nc1ccccc1)N1CCCCC[C@H]1c1ccccc1Cl 35561616 FQZDITVAANFHCC-SFHVURJKSA-N 328.843 5.489 0 50 EKAA Ic1ccc2ccc3cccc4ccc1c2c34 143933326 CWNJSSNWLUIMDP-UHFFFAOYSA-N 328.152 5.189 0 50 EKAA in-vitro Cc1nc(-c2ccccc2F)sc1[C@@H](C)N[C@H](C1CCC1)C1CC1 2325827400 FIRNZOGSFUBUJU-KZULUSFZSA-N 344.499 5.487 0 50 EKAA Cc1ccc2nc(-c3ccc(CC(C)C)cc3)c(C)c(C(=O)O)c2c1 2785469 VPMNJNHKJZKWQK-UHFFFAOYSA-N 333.431 5.415 0 50 EKAA CCCCc1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 2838523 LIFHZKVUPINXDN-UHFFFAOYSA-N 328.412 5.030 0 50 EKAA Cc1ccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn23)cc1 10383651 FIQHOSPUQBEHEG-UHFFFAOYSA-N 328.419 5.065 0 50 EKAA Cc1ccc(NC(=O)Nc2cccc(Br)c2)cc1Cl 13320089 RFYHWEYXIKOQGP-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA Cc1cnc(F)cc1-c1nc(-c2cccc(Oc3ccccc3)c2)no1 904588483 TUCDEBSWSPFKRE-UHFFFAOYSA-N 347.349 5.038 0 50 EKAA CC(=O)c1cccc(Nc2nc(-c3ccc(F)cc3F)cs2)c1 440804 PNMLUHHYCRGQNK-UHFFFAOYSA-N 330.359 5.035 0 50 EKAA Brc1ccccc1Nc1nc(-c2cccs2)cs1 2862016 FSFPXJBCJPQECR-UHFFFAOYSA-N 337.267 5.378 0 50 EKAA CC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O 14449063 ZNEBXONKCYFJAF-OUKOMXQNSA-N 344.495 5.520 0 50 EKAA in-vitro Cc1ccc(-c2ccnc3c(-c4cccc(Cl)c4)c(C)nn23)cc1 71375591 MFMBMCMIKAZFKB-UHFFFAOYSA-N 333.822 5.334 0 50 EKAA Fc1c(F)c(Oc2ccccc2)c(F)c(F)c1Oc1ccccc1 44146 MNAJWJZQFYICRV-UHFFFAOYSA-N 334.268 5.828 0 50 EKAA CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 1123947 PGDICNBXDPTANQ-MRXNPFEDSA-N 339.479 5.514 0 50 EKAA c1ccc(N[C@@H](c2ccccc2)c2ccccc2-c2ccccc2)cc1 2173347 NKCMCJHDOIWHFS-VWLOTQADSA-N 335.450 6.555 0 50 EKAA COc1ccc(C=O)cc1COc1cc(Cl)c(Cl)cc1Cl 2536943 ZJPHSBBJXYYGIA-UHFFFAOYSA-N 345.609 5.047 0 50 EKAA C[C@H]1CCC[C@H](C)N1CCCC(O)(C1CCCCC1)C1CCCCC1 96027835 VKBKFFGANFYBAI-PMACEKPBSA-N 349.603 5.921 0 50 EKAA Fc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 100261953 OJMNBSDGCRUWDI-LNVKXUELSA-N 346.430 5.577 0 50 EKAA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1 80849 LBIXPEXYKNRPRK-UHFFFAOYSA-N 347.805 5.136 0 50 EKAA Cc1ccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 99452 MREPIQKTLPYTGE-LLVKDONJSA-N 349.217 5.492 0 50 EKAA CC(C)CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 442427 KPPSFQLYWUDPLY-UHFFFAOYSA-N 329.252 5.102 0 50 EKAA CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 1778120 WAXJEZRSRHCERO-DHZHZOJOSA-N 349.352 5.146 0 50 EKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)s1 2763244 YKHYJEVHEXYLSJ-UHFFFAOYSA-N 340.153 5.326 0 50 EKAA CC1(C)/C(=C/c2ccccc2)N=NC1(c1ccccc1)c1ccccc1 4532642 ALBQNYNTBISNBT-PYCFMQQDSA-N 338.454 6.463 0 50 EKAA Cc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1Cl 17067605 STOPESXZDKNIFM-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA CC(C)n1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 17071500 MVUGJPPPKFCFNW-UHFFFAOYSA-N 342.295 5.336 0 50 EKAA CC(C)c1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 20550246 CAPJFZDSZDUJRA-LBPRGKRZSA-N 334.822 5.485 0 50 EKAA Cc1ccc2ccccc2c1C(=O)c1ccc2c(c1)Cc1ccccc1-2 45068500 JVLINADWODAVLZ-UHFFFAOYSA-N 334.418 5.950 0 50 EKAA FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1 116894503 OZOGDCZJYVSUBR-UHFFFAOYSA-N 338.716 5.530 0 50 EKAA CCCN(C(=O)OCc1ccccc1)c1ccc(Br)cc1 261493900 LQYBIBOLGBARBZ-UHFFFAOYSA-N 348.240 5.002 0 50 EKAA Cc1ccc(NC(=O)C(C)(C)C)cc1N[C@@H]1CCc2ccc(F)cc21 2325727111 ZOLYYIRGAKGBAF-GOSISDBHSA-N 340.442 5.218 0 50 EKAA C[C@H]1C[C@@H](CNc2ccc(Oc3ccc(Cl)cc3)cc2)C[C@@H](C)O1 2325864715 YAFCVNNVVDHBCI-ZSHCYNCHSA-N 345.870 5.748 0 50 EKAA Cc1cccc2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc12 446100 GUWONKQIOSWDLX-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA CCN1C=C/C(=C\c2cc[n+](CC)c3ccccc23)c2ccccc21 2517052 PBYSOAALDIVUSK-UHFFFAOYSA-N 327.451 5.041 0 50 EKAA Cc1ccc(C(C)C)c(OCCOc2ccc(C=O)cc2Cl)c1 2866736 BSEQMNNKPHWYJX-UHFFFAOYSA-N 332.827 5.042 0 50 EKAA CCCOc1cc2oc(C)c(-c3ccc(F)cc3)c(=O)c2cc1CC 2898771 CGXPYGILIXNIBV-UHFFFAOYSA-N 340.394 5.259 0 50 EKAA CSc1ccc(OC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3086118 WUYIQQBJRVTAEO-UHFFFAOYSA-N 327.327 5.038 0 50 EKAA c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1 4015969 FPOLCCIYEGLIOS-VWLOTQADSA-N 348.449 6.196 0 50 EKAA FC(F)(F)c1ccccc1CN1CCC(Cc2ccccc2)CC1 4978067 BRXZYKPOZIPNNI-UHFFFAOYSA-N 333.397 5.160 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc2ccccc2s1 18140844 WIZQLFAMEJMJDC-UHFFFAOYSA-N 338.219 5.247 0 50 EKAA c1ccc2cc(CCNCCc3ccc4ccccc4c3)ccc2c1 25762051 MQMZJSAOZAXNPK-UHFFFAOYSA-N 325.455 5.368 0 50 EKAA CCCCC/C=C\C/C=C\CCCCCCCC(=O)N1CCCC1 58651083 RLJFUUUSNKIMQJ-HZJYTTRNSA-N 333.560 6.422 0 50 EKAA in-vitro CCC(=O)[C@@H]1[C@H](OC)C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257345542 APPBLCHOWOIYLW-BQLLATGHSA-N 346.555 5.639 0 50 EKAA Fc1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1 145089 COJBDXOVODWPAE-UHFFFAOYSA-N 330.453 5.002 0 50 EKAA Cc1nc(Nc2ccccc2Cl)sc1C(=O)Nc1ccccc1 310600 ZNJQLQFSGFJYSO-UHFFFAOYSA-N 343.839 5.101 0 50 EKAA Cc1cc(Cl)c(Cl)cc1NC(=O)Nc1ccc(Cl)cc1 398832 YHMZCLWRDCTVIL-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA CCc1cc(=O)oc2cc(OCc3cc(C)ccc3C)c(Cl)cc12 458993 OMPNAYNYJVYBLQ-UHFFFAOYSA-N 342.822 5.205 0 50 EKAA CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 469848 VQLVDPUFSSWMGE-ZDUSSCGKSA-N 347.911 5.584 0 50 EKAA c1ccc(N[C@H](c2ccccc2)c2ccccc2-c2ccccc2)cc1 2173345 NKCMCJHDOIWHFS-RUZDIDTESA-N 335.450 6.555 0 50 EKAA COc1cc(C)ccc1OCCOc1c(Cl)ccc2ccccc12 2984348 PTTJJVJSSIANGF-UHFFFAOYSA-N 342.822 5.268 0 50 EKAA COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 4321095 LUQFMBVWNUGYPF-JOCHJYFZSA-N 346.405 5.190 0 50 EKAA CCCCn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc21 64858582 DKIVMJXJKHHIRO-UHFFFAOYSA-N 343.426 5.531 0 50 EKAA in-vitro Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1Cl 64985017 LRQNGXKMLQTNPX-MRXNPFEDSA-N 347.846 5.129 0 50 EKAA C[Si](C)(C)C[C@@H](c1cccc2ccccc12)n1nnc2ccccc21 195815941 DEWHHHADGQDGND-NRFANRHFSA-N 345.522 5.512 0 50 EKAA CCC[C@H](OC)c1nc(C2CCCCC2)nn1-c1ccc(Cl)cc1 1875348204 JDLDFLXKTNGUFU-KRWDZBQOSA-N 347.890 5.456 0 50 EKAA CCc1cccc(CC)c1NC(=O)c1cc(SC)ccc1Cl 472261 RUVGQPUXDFFTGH-UHFFFAOYSA-N 333.884 5.439 0 50 EKAA CCCC[C@H](CC)COCCN(C)CCOC[C@@H](CC)CCCC 5298606 PSIRGZQWZAIUGO-SFTDATJTSA-N 343.596 5.384 0 50 EKAA Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)c1 25583296 KPKCPYKHROLIPA-IRLDBZIGSA-N 344.389 5.068 0 50 EKAA Cc1ccc(-c2nc(Cl)c3oc(-c4ccc(C)cc4)nc3n2)cc1 825182680 MARAVWZZRSGYEK-UHFFFAOYSA-N 335.794 5.222 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 613890 VZSVGWJJPFCXJQ-CQSZACIVSA-N 345.870 5.352 0 50 EKAA c1cc2c3c(cccc3c1)-c1c-2sc2c1-c1cccc3cccc-2c13 1680367 RSYZJSLQEJIVSN-UHFFFAOYSA-N 332.427 7.349 0 50 EKAA Clc1cccc(OCCCCOc2cccc3cccnc23)c1 2985905 GIDQMZSXBLHKLL-UHFFFAOYSA-N 327.811 5.126 0 50 EKAA CC/C=C\C/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\CCC(=O)O 35979232 YYZNJWZRJUGQCW-QBEJVNRSSA-N 344.495 5.760 0 50 EKAA in-vitro FC(F)(F)c1ccc2nc(C(F)(F)F)cc(Br)c2c1 66322698 IJCXJMWXDNLXDN-UHFFFAOYSA-N 344.052 5.035 0 50 EKAA CC1(C)C[C@](C)(c2ccc3ccccc3c2)c2c1ccc1ccccc21 71785308 LLKXEMUOSCULRB-AREMUKBSSA-N 336.478 6.980 0 50 EKAA COc1cccc([C@H]2CCCCN2C(=O)c2ccc3oc(C)cc3c2)c1 91656613 SSQNCAKLMSUNBC-HXUWFJFHSA-N 349.430 5.117 0 50 EKAA COc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 439510 NOYUTLZQFJGKMW-UHFFFAOYSA-N 343.382 5.361 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 452168 IXYIEGDMIKIOIO-LLVKDONJSA-N 340.275 5.421 0 50 EKAA O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1F 3612569 NBFBULOJFCZGIY-UHFFFAOYSA-N 341.769 5.524 0 50 EKAA Cc1cc(C)c2nc(-c3ccccc3OC(C)C)cc(C(=O)O)c2c1 6255400 GRDIVGHGBYMSPV-UHFFFAOYSA-N 335.403 5.004 0 50 EKAA Cc1cc2cc(C(=O)N(C)[C@@H](C)c3cc4ccccc4[nH]3)ccc2o1 91876891 WABCDUIEIGRAGG-AWEZNQCLSA-N 332.403 5.056 0 50 EKAA CCOC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)cc3)cc12 407216 VVPSWCJSKXYLTK-UHFFFAOYSA-N 344.794 5.150 0 50 EKAA biogenic CSc1ccc(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 614117 ZIKPZUVTBLIPAD-UHFFFAOYSA-N 330.211 5.107 0 50 EKAA Cc1cc(SCC(=O)c2ccc(Cl)cc2)nc2ccccc12 616295 FDWROCSYZWEBDO-UHFFFAOYSA-N 327.836 5.172 0 50 EKAA C=Cc1cccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)c1 2173034 AFZOWZQPLOCFCI-UHFFFAOYSA-N 326.440 5.141 0 50 EKAA CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 2784927 KFTCETSMAMPXTQ-INIZCTEOSA-N 339.479 5.262 0 50 EKAA CC(C)(CCCCCCCCCCCCC(C)(C)C(=O)O)C(=O)O 3920232 LLFXYXPRAJLGTE-UHFFFAOYSA-N 342.520 5.889 0 50 EKAA Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5560916 NKDCBQBFIMIMPF-UHFFFAOYSA-N 340.858 5.021 0 50 EKAA CCC[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 6274350 HZISAOWMFZTPIE-ICSRJNTNSA-N 340.854 5.400 0 50 EKAA Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2cccc(F)c2)c1 35561843 ASZZVASAIXTTLV-IBGZPJMESA-N 326.415 5.283 0 50 EKAA CN(C(=O)Oc1c(Cl)cc(Cl)c2cccnc12)c1ccccc1 83136 XMCTVODKYLZZRH-UHFFFAOYSA-N 347.201 5.177 0 50 EKAA CCN(CC)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 375673 SQTDJZJGQQRYHN-UHFFFAOYSA-N 337.250 5.092 0 50 EKAA C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(C(C)(C)C)cc1 473425 IWGPJAWEXKQBBZ-AWEZNQCLSA-N 325.427 5.105 0 50 EKAA O=C(CCSc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 2531679 XNXRESHNSZWYGH-UHFFFAOYSA-N 336.431 5.858 0 50 EKAA CC[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 13328982 BXHHHZGVLXAMLT-HNNXBMFYSA-N 341.213 5.405 0 50 EKAA O=C(Nc1ccccc1-c1cccs1)c1ccoc1Br 225537634 UHEHPEIAIZBWMK-UHFFFAOYSA-N 348.221 5.023 0 50 EKAA CC(C)(C)c1cc(NC2CCCC2)n2ncc(-c3ccccc3)c2n1 2355300 GGEMJORGFHBZQO-UHFFFAOYSA-N 334.467 5.048 0 50 EKAA CC(=O)Nc1cccc(-c2csc(Nc3ccccc3Cl)n2)c1 2860448 BPCLZZITCLCXMV-UHFFFAOYSA-N 343.839 5.166 0 50 EKAA CCCCc1c([C@@H](O)c2ccccc2)cccc1[C@@H](O)c1ccccc1 4950771 UMWPEIHRUAOGOI-ZEQRLZLVSA-N 346.470 5.193 0 50 EKAA O=C(Nc1cccc(Cl)c1)N1CCCCC[C@H]1c1cccs1 15866966 LZWPNZVETCCVIA-HNNXBMFYSA-N 334.872 5.551 0 50 EKAA CCC(CC)[C@@H]1Nc2c(C(=O)O)cc(Cl)cc2[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 248154351 CQASREBRZYVQSE-IRBSAZDJSA-N 347.886 5.398 0 50 EKAA COc1ccc(CNc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 2325759396 FCXOAQGXFKDRBM-UHFFFAOYSA-N 339.822 5.753 0 50 EKAA Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1Cl 310750 HSGQPJMPYSZBJJ-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA O=C(COc1cccc2ccccc12)Nc1cccc(Cl)c1Cl 362403 YVCNPMRQIGQIQF-UHFFFAOYSA-N 346.213 5.164 0 50 EKAA O=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)c2cccnc12 396572 GHVKGOZMCZYQNZ-UHFFFAOYSA-N 333.174 5.153 0 50 EKAA Cc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1C 399217 UBNRENITPXIHOX-UHFFFAOYSA-N 330.431 5.215 0 50 EKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1F 449454 XGQLSYFDCGJNGB-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA Cc1occc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 475210 SSOQTZXWUFRNBD-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA Cc1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1C 619576 NQGNIMQXOWPHKA-UHFFFAOYSA-N 325.264 5.419 0 50 EKAA COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)c(Cl)c1 17072198 NHSYOEMUHPMNCI-UHFFFAOYSA-N 346.858 5.599 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1F 36620564 DIBWTKQWTVADNT-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA O=C1Nc2ccccc2SC1=Cc1cccc(Oc2ccccc2)c1 2040691041 VJAIGORKICOCIT-UHFFFAOYSA-N 345.423 5.564 0 50 EKAA CC(C)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 437304 ANPNUORBVRAVRJ-UHFFFAOYSA-N 329.852 5.930 0 50 EKAA O=C(CCSc1nc2ccccc2s1)Nc1ccccc1Cl 616934 CDAZTZJFYXEUMY-UHFFFAOYSA-N 348.880 5.071 0 50 EKAA Cc1cc(C)c(OCCCCOc2c(C)cc(C)cc2C)c(C)c1 2880289 WOFJZDWQLUVKHY-UHFFFAOYSA-N 326.480 5.775 0 50 EKAA Cc1ccc(C2=NN(c3ccc(F)cc3)[C@@H](c3cccs3)C2)cc1 4614035 WTFBTLQTCNPFBJ-LJQANCHMSA-N 336.435 5.551 0 50 EKAA CC[C@@H]1CCCCN1Cc1ccc(OCc2ccccc2)c(OC)c1 4988865 PLDWEZLMDNMEPE-HXUWFJFHSA-N 339.479 5.039 0 50 EKAA C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H]1C 13320458 LVOWNOMWHJFPAW-GIPNMCIBSA-N 348.796 5.305 0 50 EKAA C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 13330081 ITBHMPHDWLMAQK-VIFPVBQESA-N 343.641 5.530 0 50 EKAA CCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 64984801 KACUPVXLTSKPQR-OAQYLSRUSA-N 336.479 5.707 0 50 EKAA Cc1c(-c2ccc(Oc3ccc(Cl)cc3)cc2)cnn1C(C)C 1875339967 FPXMFCFWOKEIBI-UHFFFAOYSA-N 326.827 5.885 0 50 EKAA COc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 98563 OVVKVFAXQROCNF-UHFFFAOYSA-N 333.416 5.111 0 50 EKAA Cc1c(Cl)cccc1Nc1ncnc2ccc(Br)cc12 122245 FGSRJIGTJUCYNJ-UHFFFAOYSA-N 348.631 5.098 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)CSCc1ccc(Cl)cc1 450376 GWFNZEPNLANZEP-UHFFFAOYSA-N 340.275 5.174 0 50 EKAA COc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ccccc1 618396 VGIOVDROQKAGNW-UHFFFAOYSA-N 337.806 5.268 0 50 EKAA Cc1ccc(C(C)C)c(OC(=O)c2ccccc2Br)c1 1464838 PVNQDFTVICWAAI-UHFFFAOYSA-N 333.225 5.100 0 50 EKAA CC(C)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 2955529 KBZWICNRJNHQDI-UHFFFAOYSA-N 329.443 5.581 0 50 EKAA CC(C)CCC[C@H](C)NC(=O)C1c2ccccc2Oc2ccccc21 2988217 BVIIVHJUQNUCQA-INIZCTEOSA-N 337.463 5.255 0 50 EKAA CC[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1 13328992 FJRXLFFYIKALNP-GOSISDBHSA-N 338.838 5.766 0 50 EKAA O=C(c1ccccc1C(F)(F)F)N1C[C@H]2CC[C@@H](C2)c2ccccc21 2325817694 MTUNGYPQZFQAOW-KBPBESRZSA-N 345.364 5.250 0 50 EKAA Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 42169 YBDKUPLFKIDGON-UHFFFAOYSA-N 336.243 5.769 0 50 EKAA Clc1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)cc1 523846 PQOFMBJOUFXYHI-UHFFFAOYSA-N 345.833 5.314 0 50 EKAA CCc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C)cc1 1910430 KSIXWNWORKTPJZ-UHFFFAOYSA-N 331.843 5.009 0 50 EKAA CCCOC(=O)c1c(N)sc(C)c1-c1ccc(C(C)(C)C)cc1 5793455 FLMWNSHUNUHIFW-UHFFFAOYSA-N 331.481 5.170 0 50 EKAA CCOc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 365211 PWYTYSBAHOAMFP-UHFFFAOYSA-N 325.452 5.584 0 50 EKAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(C)(C)C 472000 LVVNGRHJPWEPNE-ZDUSSCGKSA-N 331.843 5.044 0 50 EKAA COc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1Cl 617158 NYEGBBFBRJIQBA-UHFFFAOYSA-N 343.810 5.272 0 50 EKAA O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(c2ccccc2)CC1 1425963 NKISBPWNYFFAGK-UHFFFAOYSA-N 349.405 5.106 0 50 EKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Oc1ccccc1 2079473 OUHBTROJWYUHDA-UHFFFAOYSA-N 339.394 5.429 0 50 EKAA c1ccc(SC(Sc2ccccc2)Sc2ccccc2)cc1 2166995 YOQHDHPBEXTHCP-UHFFFAOYSA-N 340.538 6.647 0 50 EKAA in-vitro CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc21 2294867 VIDLOKXPSIPFIZ-UHFFFAOYSA-N 349.474 5.811 0 50 EKAA Cc1cc(Cl)ccc1OCCCOc1cccc2cccnc12 4701023 FHMSFLPBIQDWLR-UHFFFAOYSA-N 327.811 5.045 0 50 EKAA Cc1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1C 35476476 NGGJLSLTVZYXKY-SFHVURJKSA-N 328.843 5.326 0 50 EKAA CC[n+]1c(/C=C2/C=C(C)OC(c3ccccc3)=C2)sc2ccccc21 208678750 SHPQYDAHYHYPTI-ICFOKQHNSA-N 346.475 5.567 0 50 EKAA CC(C)(C)c1ccc(COc2c(Cl)cc(Cl)cc2C=O)cc1 314466809 KBFBYOYADCFJDD-UHFFFAOYSA-N 337.246 5.682 0 50 EKAA Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 193659 AETWPTXNPUZNAX-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCCCC2 341185 SXLZPRGCPQVZLC-UHFFFAOYSA-N 336.460 5.005 0 50 EKAA O=C(Nc1nc2c(s1)CCCC2)c1sc2ccccc2c1Cl 466195 DLBQJMYRDIHJQJ-UHFFFAOYSA-N 348.880 5.142 0 50 EKAA O=C(CCCCN1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2 3114544 JMISALVCVQUCJS-UHFFFAOYSA-N 333.475 5.097 0 50 EKAA CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 3874857 QGNJRVVDBSJHIZ-QHLGVNSISA-N 328.496 6.081 0 50 EKAA biogenic,world CC1=Nc2ccccc2N=C(O)[C@H]1Sc1nc2ccccc2s1 6707476 KVUHROYPULSWFU-HNNXBMFYSA-N 339.445 5.151 0 50 EKAA Cn1c(CCC2CCCCC2)nnc1SCc1ccc(Cl)cc1 17072647 RCTMQIDWBIVHID-UHFFFAOYSA-N 349.931 5.274 0 50 EKAA CCCCC/C(=C\c1ccccc1)CNc1ccc2c(c1)CCC2(C)C 2325817773 VKUIIRISFMVGSR-HEHNFIMWSA-N 347.546 6.986 0 50 EKAA O=C(CSCc1ccccc1Cl)Nc1cccc2ccccc12 220991 BNYAXBFPHSZSIS-UHFFFAOYSA-N 341.863 5.365 0 50 EKAA CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(C)cc3C)c2c1 6173865 ZCDJSOIIASIXMH-UHFFFAOYSA-N 334.419 5.080 0 50 EKAA Clc1ccc2[nH]c(SCCOc3ccccc3Cl)nc2c1 13281928 YLDQJGBSSJDPSY-UHFFFAOYSA-N 339.247 5.041 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 91560 QAANZVLFRHSOOU-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 297808 NJXBHEMXPUMJRO-UHFFFAOYSA-N 330.818 6.064 0 50 EKAA Cc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 446886 LDHOOIZNZMMDRX-JOCHJYFZSA-N 340.426 5.079 0 50 EKAA O=C(Nc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 2831461 JZCUTPZJZVOXTF-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Cc1cc2ncn(CCOc3ccccc3-c3ccccc3)c2cc1C 2881194 GQACPSILZMLEJB-UHFFFAOYSA-N 342.442 5.399 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)c1ccc(-c2ccccc2)cc1 2903734 YPORVNUBXFZMNV-UHFFFAOYSA-N 342.225 5.913 0 50 EKAA ClC1=C(Cl)[C@]2(Cl)[C@H]3CC=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 3127949 XCJXQCUJXDUNDN-YSPBZLIWSA-N 338.876 5.024 0 50 EKAA S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 18173476 RBUNNVGISZJUIO-UHFFFAOYSA-N 328.440 5.869 0 50 EKAA Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)c1 36621074 SAMUBNRZKQJMDD-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA C[Si](C)(C)[C@@H]1C=CC([Si](C)(C)C)([Si](C)(C)C)c2ccccc21 169817881 MFEUWAMRWUSXGS-GOSISDBHSA-N 346.739 6.210 0 50 EKAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccccc1F 131094 XYJASSCXUABKGZ-NTCAYCPXSA-N 347.389 5.057 0 50 EKAA S=C(Nc1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 368192 UYBUAAPNAYYBCE-UHFFFAOYSA-N 345.899 5.139 0 50 EKAA COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1ccccc1 618069 DYJFSGWLJRBQHL-UHFFFAOYSA-N 337.806 5.268 0 50 EKAA C(=C/c1nc(NC2CCCCC2)c2ccccc2n1)\c1ccccc1 4700939 INVBMKHMPDHPLL-FOCLMDBBSA-N 329.447 5.545 0 50 EKAA COc1ccc(/C=C/C2=Nc3ccc4ccccc4c3C2(C)C)cc1 4844099 FZBDZDCVQRZUAH-XNTDXEJSSA-N 327.427 5.926 0 50 EKAA C[C@H]1C[C@@H](C)CN(CCCCOc2ccccc2-c2ccccc2)C1 4905607 GNLPNVFXWVJWDD-BGYRXZFFSA-N 337.507 5.491 0 50 EKAA Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1Cl 13745148 WLUPEZYKTFBTFQ-VIFPVBQESA-N 329.252 5.246 0 50 EKAA ClC(Cl)=C(Cl)/C(Cl)=C(\Cl)C(Cl)(Cl)Cl 102315147 IEQCQHOSIWSRIH-HNQUOIGGSA-N 343.679 5.931 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)cc1 59386 VUDQVMJOUUEGRS-UHFFFAOYSA-N 340.275 5.174 0 50 EKAA O=C(NC(c1ccccc1)c1ccccc1)c1scc2c1CCCC2 91419 YGMHDJSIGASJMW-UHFFFAOYSA-N 347.483 5.146 0 50 EKAA Cc1ccc(C)c(NC(=O)Oc2cc(C)c(Cl)cc2C(C)C)c1 399307 VFKSGMSOHMPRAG-UHFFFAOYSA-N 331.843 6.000 0 50 EKAA Cc1ccc(-c2nc(=S)c3c(n2CC(C)C)CC(C)(C)OC3)cc1 523980 SFJMYIAVKGTWAQ-UHFFFAOYSA-N 342.508 5.095 0 50 EKAA CCOc1ccccc1NC(=S)Nc1ccccc1-c1ccccc1 17072433 IXJFTTCCZWCESU-UHFFFAOYSA-N 348.471 5.561 0 50 EKAA COc1ccc(C(=O)c2c(C)oc3c2cc(OC)c2ccccc23)cc1 22146912 WHLLJAHQCYKWLJ-UHFFFAOYSA-N 346.382 5.143 0 50 EKAA CCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21 27639218 QKXRHYJSCZFHEK-UHFFFAOYSA-N 341.454 6.134 0 50 EKAA in-vitro FC(F)(F)c1ccc(OCc2ccccc2)c(Br)c1 40456685 VIGCXRMJHAZXGW-UHFFFAOYSA-N 331.131 5.047 0 50 EKAA in-vitro CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C(F)(F)F)cnc21 169794187 GESOHXDEZSURSM-UHFFFAOYSA-N 342.481 6.079 0 50 EKAA in-vitro Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(Nc3ccccc3)c2)s1 170626763 BHYKXXKPGUOSFZ-RTBURBONSA-N 348.471 5.542 0 50 EKAA C/C=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 257345652 FGSFYZNXYHDZKI-JVICATIVSA-N 344.539 5.907 0 50 EKAA Cn1c(Sc2c(Cl)cccc2Cl)c(C=O)c2ccccc21 168709 IKLBAQSRPAYWPC-UHFFFAOYSA-N 336.243 5.449 0 50 EKAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 376216 LZALYIVVTBSVPQ-NTCAYCPXSA-N 349.817 5.784 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 391025 HIGOHIKZALEOAM-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA c1csc(-c2cc(-c3cccs3)[o+]c(-c3cccs3)c2)c1 405035 DACQIRISUWXBKO-UHFFFAOYSA-N 327.475 6.746 0 50 EKAA Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 451378 RUYJNUAZLVGWAM-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA Cc1ccc(-c2noc([C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 2862768 RVDRMIVSJKFSBY-HNNXBMFYSA-N 336.435 5.483 0 50 EKAA O=C(O)CC1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 4566081 HKNVCFRYYBNRQL-UHFFFAOYSA-N 326.395 5.024 0 50 EKAA CC(C)C[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13778061 MUSFHKHRDRKTKH-QUCCMNQESA-N 340.854 5.256 0 50 EKAA COC(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 26544021 WRGVQDJLLLWQTJ-UHFFFAOYSA-N 348.242 5.178 0 50 EKAA CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 170607455 OCHHDHMZRXYIHK-VQTJNVASSA-N 339.454 5.644 0 50 EKAA CC(=O)c1c(C)nc2ccc(Br)cc2c1-c1ccccc1 44182 DUXKKQUTSAPGGD-UHFFFAOYSA-N 340.220 5.175 0 50 EKAA Cc1cc(NC(=O)Nc2ccc(Br)cc2)ccc1Cl 395881 OVGCLSQPHJCWDJ-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA Cc1ccccc1Nc1nc(C(F)(F)F)c(-c2ccccc2)s1 3878404 WIGWYLYMNMFICM-UHFFFAOYSA-N 334.366 5.881 0 50 EKAA CCc1cc(=O)oc2cc(O[C@@H](C)c3ccccc3)c(Cl)cc12 4833485 DPHVELTWDNINRT-LBPRGKRZSA-N 328.795 5.149 0 50 EKAA Cc1cccc(Oc2nc3ccccc3nc2N2CCCCC2)c1C 1848442309 HULWAQSXJFBSNL-UHFFFAOYSA-N 333.435 5.029 0 50 EKAA c1nc(C2CCCCC2)cc(=NCC(C2CCCC2)C2CCCC2)[nH]1 1875356133 GVAHHLXYULYSGM-UHFFFAOYSA-N 341.543 5.355 0 50 EKAA Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1Br 45929 IBAXMNXPCPWFMB-UHFFFAOYSA-N 340.220 5.163 0 50 EKAA COc1ccc(NC(=O)c2ccc3ccccc3c2)c2ccccc12 120961 MTYFNMFTCXQKPL-UHFFFAOYSA-N 327.383 5.254 0 50 EKAA Cc1cc(Nc2cccc(Br)c2)c2cccc(C)c2n1 256312 SGNFPAMWMYLSBJ-UHFFFAOYSA-N 327.225 5.358 0 50 EKAA Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)o1 2738483 BFGPCAVBXXNSKC-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA CCCCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 2968912 OENGHVNFYAERKI-UHFFFAOYSA-N 337.341 5.137 0 50 EKAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1[nH]c2ccc(C)cc2c1C 91755871 VPRJJMAXFGITBK-FQEVSTJZSA-N 349.478 5.183 0 50 EKAA Brc1ccc2c3ccccc3n(Cc3ccccc3)c2c1 575449132 BFHNUHBRWXASFQ-UHFFFAOYSA-N 336.232 5.605 0 50 EKAA in-vitro Cc1c(Cl)cccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 299504 QKZJLXAYUVXFMG-UHFFFAOYSA-N 335.834 5.497 0 50 EKAA Cc1cccc(C)c1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 447531 CMIVNSUOASYQSC-UHFFFAOYSA-N 325.795 5.469 0 50 EKAA CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 467031 MDXDGBVZCBCQBT-UHFFFAOYSA-N 343.732 5.010 0 50 EKAA Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)c1C 616248 IVFYHRFKRVLCCA-UHFFFAOYSA-N 333.406 5.290 0 50 EKAA Cc1ccc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)cc1Cl 1250524 BPMQJIVJFYOCHP-NTUHNPAUSA-N 335.837 5.238 0 50 EKAA CCc1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 2810650 YWYYGQHQYQVWQX-JOCHJYFZSA-N 341.454 5.194 0 50 EKAA CC[C@@H]1CCc2sc(C(=O)Nc3cccc(SC)c3)cc2C1 6489384 XDMZMABNXNOEPZ-GFCCVEGCSA-N 331.506 5.237 0 50 EKAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(F)c2)cc1 35561842 PRUFFFKPXRSAPQ-LJQANCHMSA-N 326.415 5.283 0 50 EKAA Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)cc1 36620555 GPCMORYKKNXFLA-SFHVURJKSA-N 328.843 5.326 0 50 EKAA Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 36621038 QMAUHLXMROLHHA-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA Brc1ccc(Nc2nc(-c3ccccc3)cs2)cc1 195145 OUFYYVAASPLOAA-UHFFFAOYSA-N 331.238 5.316 0 50 EKAA Cc1ccc2sc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1 208903 BYXUDVOXPCRVHZ-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc2ccccc2c1 4991164 VWXRQGFUBIUTMD-UHFFFAOYSA-N 344.458 5.078 0 50 EKAA Fc1ccc(F)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 16221336 GZUKYGCLPZMXSK-UHFFFAOYSA-N 333.190 5.081 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\CCCC/C=C\CCC(=O)OC 27645217 JXKCBSKPWHNCFL-MUDRAGMJSA-N 346.555 7.085 0 50 EKAA in-vitro C(/C=C/c1ccc(/C=C/C=C/c2ccccc2)cc1)=C\c1ccccc1 66368052 RDXVBJMYWDYESH-FVRNMFRHSA-N 334.462 7.140 0 50 EKAA C1C[C@H]2C[C@H]1[C@@H]1SC(=C3S[C@H]4[C@H]5CC[C@@H](C5)[C@H]4S3)S[C@@H]21 253588389 AXKZAQWXUQRLEU-LDMLIMFISA-N 340.604 5.407 0 50 EKAA Clc1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 443215 OYWUFYKQVFCRMY-UHFFFAOYSA-N 336.778 5.122 0 50 EKAA CC(C)(C)c1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526060 QUMCMNSPPSHIEV-UHFFFAOYSA-N 339.822 5.551 0 50 EKAA Cc1ccc2c(c1)sc1nc(-c3cccc(Br)c3)cn12 6682025 IMYSLRAAAIHVNI-UHFFFAOYSA-N 343.249 5.287 0 50 EKAA Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc(C(C)(C)C)oc1C 194849 HWUALEDHKVHWLS-UHFFFAOYSA-N 329.440 5.275 0 50 EKAA O=C(CSc1nc2ccccc2s1)c1ccc2ccccc2c1 272025 QPOKRKLKPQGGMH-UHFFFAOYSA-N 335.453 5.425 0 50 EKAA COc1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 456408 LYDHQWQYLZWQSC-HXUWFJFHSA-N 349.455 5.167 0 50 EKAA CC[C@H](C)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 465913 KFSFYWNOHJYKEU-LBPRGKRZSA-N 343.879 6.321 0 50 EKAA Cc1c(C)c(C(Cl)(Cl)Cl)c(C)c(C)c1Br 1638520 GMXDCDANZLPRFE-UHFFFAOYSA-N 330.480 5.509 0 50 EKAA Clc1ccc(Sc2c(-c3ccccc3)nc3ncccn23)cc1 261169 WSXRFRWTKGZGLB-UHFFFAOYSA-N 337.835 5.201 0 50 EKAA COc1ccc2c(=O)c(-c3ccc(-c4ccccc4)cc3)c(C)oc2c1 306167 RPWYNOSVILRUMD-UHFFFAOYSA-N 342.394 5.444 0 50 EKAA Cc1cc(OC(=O)Nc2cccc(Cl)c2Cl)cc(C)c1Cl 401884 VKWJVRTZQHCTHK-UHFFFAOYSA-N 344.625 5.875 0 50 EKAA C[C@H](SCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 443598 DUBBWNBURWGGIE-NSHDSACASA-N 340.275 5.254 0 50 EKAA Cc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccccc2)cc1 611247 SCMDOGKDSSRISP-OAQYLSRUSA-N 333.406 5.560 0 50 EKAA CC1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 1798764 DXCRVRYFNURTOQ-UHFFFAOYSA-N 343.883 5.248 0 50 EKAA COc1ccc(Cl)cc1NCCC(=O)c1ccc2ccccc2c1 2521083 PAEQIWLEEGCNHL-UHFFFAOYSA-N 339.822 5.187 0 50 EKAA CC(C)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1 4037694 CAAVVWAWOHRHDR-UHFFFAOYSA-N 345.442 5.495 0 50 EKAA CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 6757411 QTLZDLOWJRUZMV-INIZCTEOSA-N 339.479 5.264 0 50 EKAA Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)c(Cl)c1 13745052 GKLXFWWUKSCQGL-SECBINFHSA-N 329.252 5.246 0 50 EKAA Brc1ccc(Oc2ccc(Oc3cccnc3)cc2)cc1 44125408 HWCSCNQROPXSLS-UHFFFAOYSA-N 342.192 5.429 0 50 EKAA CCN1[C@@H]2C=CC=C[C@H]2c2ccccc2[C@@H]1C(Cl)(Cl)Cl 252427904 JVBJKGXRMGJROW-NWANDNLSSA-N 328.670 5.012 0 50 EKAA c1ccc(-c2nc3c(s2)[C@H](NCC2CCCCC2)CCC3)cc1 1875358573 ASIBGSORIXHDKB-QGZVFWFLSA-N 326.509 5.357 0 50 EKAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 555037 JTABQJFJBJJVPM-LBPRGKRZSA-N 339.382 5.133 0 50 EKAA C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 860163 XEJZMNLVHOHVNJ-NSHDSACASA-N 341.760 5.491 0 50 EKAA CCCCc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526064 HKKKEBZQEUJTKS-UHFFFAOYSA-N 339.822 5.596 0 50 EKAA Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1Cl 13745146 WLUPEZYKTFBTFQ-SECBINFHSA-N 329.252 5.246 0 50 EKAA Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)c(Cl)c1 15867001 YCDAJWGJOHHEAE-MRXNPFEDSA-N 348.899 5.859 0 50 EKAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(F)c2)cc1 35561841 PRUFFFKPXRSAPQ-IBGZPJMESA-N 326.415 5.283 0 50 EKAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)cc1 36621005 QXCWOZIYPDDOES-SFHVURJKSA-N 344.842 5.026 0 50 EKAA Cc1nc2nccnc2cc1-c1ccc(Oc2ccc(Cl)cc2)cc1 1875347926 YRQGYANOWYAWJH-UHFFFAOYSA-N 347.805 5.446 0 50 EKAA COc1ccc(-c2nnc(Nc3ccccc3C)c3ccccc23)cc1 447840 PNTZHVWXFBKTQZ-UHFFFAOYSA-N 341.414 5.357 0 50 EKAA O=C(Nc1ccccc1Br)c1cc(Cl)ccc1Cl 3332077 MYYSNYOCUAWDKS-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA O=C(CCc1ccc(-c2cccc(Cl)c2)o1)Nc1ccccc1F 4541873 ZGMAUMCWYCUYQC-UHFFFAOYSA-N 343.785 5.310 0 50 EKAA CCCCCn1cc(C(=O)Cc2ccccc2OC)c2ccccc21 28465020 FFLSJIQJQKDDCM-UHFFFAOYSA-N 335.447 5.266 0 50 EKAA in-vivo Fc1ccc(Oc2ccc(-c3ccn(-c4ccccc4)n3)cc2)cc1 95100076 RPERCFMEGRJFFF-UHFFFAOYSA-N 330.362 5.471 0 50 EKAA COC(=O)c1ccc(COc2ccc3occ(-c4ccccc4)c3c2)o1 253413499 UYBSUAGTTRGTAP-UHFFFAOYSA-N 348.354 5.058 0 50 EKAA biogenic c1ccc([C@@H]2CCC[C@H]2CNCc2cccc(CC3CCC3)c2)cc1 2325842329 VBESAZCNINJBPX-ZEQRLZLVSA-N 333.519 5.703 0 50 EKAA COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 343219 VAZBKANNYNQXFK-MDWZMJQESA-N 343.382 5.247 0 50 EKAA O=C(Nc1ccc(Cl)cc1)N(c1ccccc1)C1CCCCC1 399188 MCIOHIPBCNJKFQ-UHFFFAOYSA-N 328.843 5.711 0 50 EKAA CCOc1cc(OCC)cc(C(=O)Nc2ccc([C@@H](C)CC)cc2)c1 441744 HKPBLAKOCPHGQN-HNNXBMFYSA-N 341.451 5.250 0 50 EKAA CCC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 43756792 LZSOOHLAZHOTHJ-OGDHSWOFSA-N 330.512 5.050 0 50 EKAA O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(F)(F)F 64156 JLFXWJQUQAGNEF-MDZDMXLPSA-N 325.717 5.011 0 50 EKAA Cc1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1 1308048 VEINLXLFXYNZOF-UHFFFAOYSA-N 326.443 5.720 0 50 EKAA Clc1ccccc1C1N(c2ccccc2)CCN1c1ccccc1 1807203 VWHKLFJDWMLHNB-UHFFFAOYSA-N 334.850 5.365 0 50 EKAA CC(C)(C)c1cc(CO[C@H]2CCC=CCCC2=O)cc(C(C)(C)C)c1 43199229 WJXMZHJHZUKKGE-NRFANRHFSA-N 342.523 5.866 0 50 EKAA C[Si](C)(C)[C@@]1(Br)CC1(c1ccccc1)c1ccccc1 169829007 XMQPDUFQGWLSEP-SFHVURJKSA-N 345.356 5.388 0 50 EKAA C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(C)O)C[C@]12CS2 1772492704 YQPXGHUOOLIGIF-BTJFNWOHSA-N 348.596 5.512 0 50 EKAA O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc21 88019 WGZJNOARAAPYBY-UHFFFAOYSA-N 346.455 5.242 0 50 EKAA O=C(CCC1CCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 310937 CBHMGDGHOMWZLD-UHFFFAOYSA-N 333.781 5.658 0 50 EKAA COc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1 447975 DKVNWFVUKGPEJR-UHFFFAOYSA-N 327.387 5.049 0 50 EKAA CCc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 452997 QKVORDZEGUDYRU-UHFFFAOYSA-N 337.463 5.314 0 50 EKAA CC(C)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 1018999 MJYFTPPDKFCVNV-UHFFFAOYSA-N 329.443 5.329 0 50 EKAA Cc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1 1293978 XTTOOEXBSRWIHP-UHFFFAOYSA-N 329.378 5.488 0 50 EKAA O=Cc1c(-c2ccc(Cl)c(Cl)c2)nc2sc3ccccc3n12 1527946 ZPJUFHOVCWKNQO-UHFFFAOYSA-N 347.226 5.335 0 50 EKAA Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2Br)cc1 3121936 SDZVPBQRSUWAJJ-UHFFFAOYSA-N 337.260 6.400 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Nc1cccc2ccc(O)cc12 4771192 IGRVEJLGDKYUMX-UHFFFAOYSA-N 326.783 5.151 0 50 EKAA CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccccc1 4916592 RKQVLSXYNUKQHI-JTSKRJEESA-N 335.491 5.182 0 50 EKAA CCCCCCc1ccc(Nc2ccc(CCCCCC)cc2)cc1 113023570 ZRXIMHFLYXQJNI-UHFFFAOYSA-N 337.551 7.676 0 50 EKAA CC(C)=CCC/C(C)=C\CO[C@@H](C)OC/C=C(\C)CCC=C(C)C 257346453 HMGRLNGYHHOGCU-IHDHVBRQSA-N 334.544 6.751 0 50 EKAA CC(C)c1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 242693 OSNGIJKYRLJQIN-DHZHZOJOSA-N 333.353 5.481 0 50 EKAA Cc1ccccc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 310161 DNRQLLIZOCSOML-UHFFFAOYSA-N 336.431 5.082 0 50 EKAA C[C@H](C(=O)c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 4529672 XCVBREXJNRYOBA-PGRDOPGGSA-N 342.438 5.562 0 50 EKAA Cc1cc(C(=O)CSc2cc(C)c3cccc(C)c3n2)ccc1F 5068704 MZDACAJMUDXAQH-UHFFFAOYSA-N 339.435 5.274 0 50 EKAA CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC)c3n2)cc1 20604787 FADCQWMGISPXGX-UHFFFAOYSA-N 333.357 5.008 0 50 EKAA O=C(c1ccccc1)[C@@H](C[C@H]1CCCC1=O)c1ccc(Cl)cc1 22204982 DXWZFUPCEUMLAK-AEFFLSMTSA-N 326.823 5.066 0 50 EKAA c1ccc([C@H]([C@@H](c2ccccc2)N2CCCCC2)N2CCCCC2)cc1 40148546 MTYFDEYZRYWPAI-DNQXCXABSA-N 348.534 5.441 0 50 EKAA COc1ccc(C=C2[C@H]3C4=C([C@H]5CC[C@H]4C5)[C@H]2c2ccccc23)cc1 101081127 QYLQGMZZQRBHNH-TWJSWXTQSA-N 326.439 5.700 0 50 EKAA COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 286748 SNFCQJAJPFWBDJ-UHFFFAOYSA-N 326.399 5.419 0 50 EKAA CCc1cc(=O)oc2cc(OCc3ccc4ccccc4c3)ccc12 306855 DJKSHGGKZVZKTN-UHFFFAOYSA-N 330.383 5.088 0 50 EKAA biogenic CC(C)c1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 3757132 XIEYMSBCBMFBSM-UHFFFAOYSA-N 325.795 5.377 0 50 EKAA COc1ccc(C=O)cc1OCc1c(Cl)ccc(Cl)c1Cl 11884243 YPSQUBSSGMDWTP-UHFFFAOYSA-N 345.609 5.047 0 50 EKAA COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1 13320084 VIRKTHMSSIPIPK-UHFFFAOYSA-N 332.831 5.290 0 50 EKAA CC(C)OC(=O)c1ccc(-c2nc3ccc(Cl)c(Cl)c3[nH]2)cc1 33559097 MNACPGNIJVKAAG-UHFFFAOYSA-N 349.217 5.102 0 50 EKAA COc1ccnc(CSCC2CCC(C(C)(C)C)CC2)c1OC 1875332980 TVJDYAZQVVYJCV-UHFFFAOYSA-N 337.529 5.185 0 50 EKAA BrC1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 1674485 JNPKSLRRDMTMRS-UHFFFAOYSA-N 347.255 5.901 0 50 EKAA Cc1cc(Cl)c(OCCCCN2CCC(C)CC2)c(Cl)c1 2956252 AIRRUZGMRQKGJK-UHFFFAOYSA-N 330.299 5.193 0 50 EKAA C[C@H](c1ccccc1)[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 3136751 LZDXXRGGXGHELT-UTKZUKDTSA-N 336.456 5.005 0 50 EKAA Cc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc1 5063749 IWMUTUAYADHRKT-UHFFFAOYSA-N 336.247 5.564 0 50 EKAA CCCCOc1cccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)c1 6042741 NLWQQBSQOWCJFH-UHFFFAOYSA-N 349.430 5.396 0 50 EKAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@H]3c3ccccn3)oc2c1C 15070612 IPQAPAQUKGCTCL-IBGZPJMESA-N 348.446 5.120 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)c3ccccc3Cl)ccc21 2051794 XZRLHLNWDYWUGQ-UHFFFAOYSA-N 348.833 5.720 0 50 EKAA COc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl 169811463 CXOKFKJWEUAYRC-UHFFFAOYSA-N 338.955 5.722 0 50 EKAA CCOc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 106534 WEZPIYSFAGYCJI-UHFFFAOYSA-N 325.195 5.036 0 50 EKAA Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Nc1cccc(Cl)c1 173862 ZPRYGHHXZGUHJC-AWEZNQCLSA-N 342.870 5.973 0 50 EKAA CN(C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1 337737 OYKNBHZJGOUHBD-FQEVSTJZSA-N 333.456 5.183 0 50 EKAA CCC(CC)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 433869 ULPXPTMFNBEGDY-UHFFFAOYSA-N 343.279 5.492 0 50 EKAA CC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 551606 SCLBQXSZNZJUFY-UHFFFAOYSA-N 331.371 5.226 0 50 EKAA CC(C)[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1ccccc1 2364072 RKQVLSXYNUKQHI-VGSWGCGISA-N 335.491 5.182 0 50 EKAA CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3Cl)=NN12 5523643 KCGPWVNJORGOHD-HKUYNNGSSA-N 326.827 5.010 0 50 EKAA CCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 13616346 ZVJDYYWBDOZILP-IEBWSBKVSA-N 326.827 5.010 0 50 EKAA C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]3CC[C@@H]2C[C@]12CS2 253499800 NQUOVPHNWQLADQ-YAWPOEEYSA-N 334.569 5.122 0 50 EKAA biogenic Cc1ccc(-c2cc(C(F)F)nc(NCc3cccs3)n2)cc1 2460220 PLDPDRBKAQWGSO-UHFFFAOYSA-N 331.391 5.063 0 50 EKAA O=C(Nc1ccccc1F)c1ccc(CSc2ccccc2)cc1 4589921 HGXMETNLBFLGNG-UHFFFAOYSA-N 337.419 5.370 0 50 EKAA C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)C(c3cccnc3)=CC[C@H]12 254095671 GZOSMCIZMLWJML-AFJPLELYSA-N 349.518 5.399 0 50 EKAA C[C@H]1C[C@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1 81309 IUCCFZPZAWERPQ-KXBFYZLASA-N 348.471 5.340 0 50 EKAA C[C@H]1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1 132478 CDJDNJYXUJBYJD-VIFPVBQESA-N 347.846 5.352 0 50 EKAA CCC(C)(C)C1CCC(NC(=S)Nc2cc(C)ccc2OC)CC1 612101 OILZEXNDGQNCGB-UHFFFAOYSA-N 348.556 5.285 0 50 EKAA CC(=O)c1cccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1 613241 RCWZWVWNPCKBMR-UHFFFAOYSA-N 344.439 5.910 0 50 EKAA COc1ccc(-c2ccccc2)cc1NCc1c(F)cccc1Cl 2489875 LOTHFQGHTOOCBI-UHFFFAOYSA-N 341.813 5.767 0 50 EKAA Cc1cc(C)c(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)c(C)c1 3059179 GHSHIUOODZYKMW-HOTGVXAUSA-N 348.273 5.138 0 50 EKAA Cc1cc(C)cc(NC(=O)N2CCCCC[C@@H]2c2cccs2)c1 15866997 LTECUUJAHUYWNG-QGZVFWFLSA-N 328.481 5.514 0 50 EKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C[C@@H]12)C(=O)[C@]12CC[C@@H](C)[C@@H]1CC[C@@]32C 71786350 QOHMQRPYGSPDAW-QKIZZYGHSA-N 342.567 6.116 0 50 EKAA CCc1ccc(CC)c(-c2csc(Nc3ccc(F)cc3)n2)c1 2325823697 ATFLTPSCXRMNFD-UHFFFAOYSA-N 326.440 5.818 0 50 EKAA c1ccc(-c2csc3ncnc(NCCc4cccs4)c23)cc1 137338 QLKSVHDVOPIBEE-UHFFFAOYSA-N 337.473 5.074 0 50 EKAA O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 450420 KMAQSILTUAJYSS-FPYGCLRLSA-N 343.707 5.150 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 452618 DZUMDAKWTJHPFY-UHFFFAOYSA-N 337.806 5.693 0 50 EKAA CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 1217939 FLLMBTIFVVHALU-UHFFFAOYSA-N 349.217 5.396 0 50 EKAA COc1ccc(CCCC(=O)Nc2cccc3ccccc23)cc1C 1443961 OEZHMDDIGBGIGT-UHFFFAOYSA-N 333.431 5.118 0 50 EKAA CCOc1ccc(C2=C[C@@H](c3ccccc3C)c3ccccc3O2)cc1 2267093 UIWRHHVNLHCHEW-QFIPXVFZSA-N 342.438 5.959 0 50 EKAA CCCCc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 2866593 UBXGLGMZAHKBLX-UHFFFAOYSA-N 347.462 5.084 0 50 EKAA CC(C)[C@@H](c1ccccc1)N(O[C@H](C)c1ccccc1)C(C)(C)C 169646875 FPFRTDOMIFBPBZ-NQIIRXRSSA-N 325.496 6.177 0 50 EKAA Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1 145254 UIHXHFWBCONLJH-UHFFFAOYSA-N 335.834 5.876 0 50 EKAA CCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1 1778083 QATFRSPKNGOAAN-YRNVUSSQSA-N 329.827 5.089 0 50 EKAA O=C(Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 1884516 SAZLCOPORPECEL-UHFFFAOYSA-N 336.001 5.519 0 50 EKAA CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccccc1 2364071 RKQVLSXYNUKQHI-HTAPYJJXSA-N 335.491 5.182 0 50 EKAA COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CO 95707363 XSZIJSCGSTXKKI-UHFFFAOYSA-N 342.332 5.136 0 50 EKAA O=C(CSc1nc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 1387290 JLIMNALMBHXXOH-UHFFFAOYSA-N 338.215 5.110 0 50 EKAA CCCCc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1 1773324 OUWCYGZKLMLHGR-UHFFFAOYSA-N 325.452 5.135 0 50 EKAA Cc1ccccc1NC(=O)Nc1ccc(OCc2ccccc2)cc1 3958919 RYMUKYCOOMKCLT-UHFFFAOYSA-N 332.403 5.218 0 50 EKAA Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 12039556 FLLMUYQTLMOVFC-GGAORHGYSA-N 340.426 5.237 0 50 EKAA Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 145258 IVPCMFZCEVDHSS-UHFFFAOYSA-N 328.626 5.516 0 50 EKAA Cc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 309908 JODAGZOUDUJGQW-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA Cc1cc(C)c2c(Nc3csc4nc(C)cc(C)c34)csc2n1 377499 CPKANMHEOBGOJB-UHFFFAOYSA-N 339.489 5.883 0 50 EKAA CC[C@H](C)c1ccc(NC(=S)Nc2ccccc2SC)cc1 611952 SFQQADUKBLKZKF-ZDUSSCGKSA-N 330.522 5.731 0 50 EKAA O=C(Nc1ccccc1[C@H]1CC1(Cl)Cl)c1ccccc1Cl 1063560 JETJHIFXVOJGGL-GFCCVEGCSA-N 340.637 5.254 0 50 EKAA Cc1c(C)c2c(C)c(C)c1CSCc1cccc(n1)CSC2 4558684 VSOUZSVKRXQFFM-UHFFFAOYSA-N 329.534 5.495 0 50 EKAA CC(C)(C)c1cc(CO[C@@H]2CCC=CCCC2=O)cc(C(C)(C)C)c1 43199228 WJXMZHJHZUKKGE-OAQYLSRUSA-N 342.523 5.866 0 50 EKAA CC(C)(C)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]32)C1 118915825 FQADBEOLIYAFDV-QREMAQNESA-N 346.555 5.494 0 50 EKAA C(=C\c1ccccc1)\C=C\c1ccc(/C=C/C=C/c2ccccc2)cc1 137428271 RDXVBJMYWDYESH-XCBHXTLASA-N 334.462 7.140 0 50 EKAA Cc1cccc(-c2cccc(C(=O)N3CCC[C@H]3c3cccnc3)c2)c1 952988868 MACNYUHKRQJUKO-QFIPXVFZSA-N 342.442 5.034 0 50 EKAA COc1ccc(CC[C@@H](C)NCc2ccc(Cl)c(Cl)c2)cc1 4989290 UVHNUCRTVFKTMB-CYBMUJFWSA-N 338.278 5.113 0 50 EKAA Clc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1 16945082 HVXHVHIYLVCCMF-UHFFFAOYSA-N 332.794 5.089 0 50 EKAA CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 33954298 SWTYBBUBEPPYCX-YTQNUIGOSA-N 344.495 5.520 0 50 EKAA endogenous,in-man Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c(Cl)c1 64985034 UCVRTPWNSLHVIX-MRXNPFEDSA-N 347.846 5.129 0 50 EKAA CCC[C@]1(O)[C@@H](C)[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 248197214 QYKFGQQFZQYMFW-NQDIBGKZSA-N 337.507 5.218 0 50 EKAA Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)cc(C)c1Cl 447488 OMLXJKBTRDHQBZ-UHFFFAOYSA-N 339.822 5.128 0 50 EKAA C[C@H]1CCC[C@@H](C)N1CCCCn1c2ccccc2c2ccccc21 2024751 WIMYUILTCSIRQN-KDURUIRLSA-N 334.507 5.838 0 50 EKAA Cc1ccc(SCCC(=O)c2ccc(Br)cc2)cc1 2520627 OBKKPHIZZBXJDP-UHFFFAOYSA-N 335.266 5.123 0 50 EKAA CC[C@@H](C)c1ccccc1OCCOc1ccc(C=O)cc1Cl 2866738 FRHLUCICNQRJAI-CQSZACIVSA-N 332.827 5.124 0 50 EKAA Cc1ccc2c(c1)[C@H](n1c3ccccc3c3ccccc31)CCN2C 5330993 DEMZZNUJTFBNMO-HSZRJFAPSA-N 326.443 5.532 0 50 EKAA CC[C@H](C)c1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 6121271 FQVMBVAIHQHJTH-LBPRGKRZSA-N 339.822 5.767 0 50 EKAA c1ccc(Nc2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1 148579449 UWZZQCHICHIGEA-UHFFFAOYSA-N 345.445 7.404 0 50 EKAA C[C@H](N[C@H](C)c1cccc(-n2cccn2)c1)c1csc2ccccc12 2325877980 ATZZDUROECFBCD-CVEARBPZSA-N 347.487 5.499 0 50 EKAA Cc1sc2ncnc(Nc3ccc(N4CCCCC4)cc3)c2c1C 144692 BXKYOUADEDOHNT-UHFFFAOYSA-N 338.480 5.042 0 50 EKAA Clc1ccc(COc2cccc(-c3cnc4ccccc4n3)c2)cc1 471827 OIVMVGCJTOSPTH-UHFFFAOYSA-N 346.817 5.529 0 50 EKAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 612668 XEWZGCSXBVJOCN-CYBMUJFWSA-N 331.843 5.179 0 50 EKAA Cn1c2ccc(C(=O)C(F)(F)F)cc2c2cc(C(C)(C)C)ccc21 2328806 FSVNLQAMYCMXMQ-UHFFFAOYSA-N 333.353 5.374 0 50 EKAA CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21 2732321 GGNSBPNNGRWCFI-UHFFFAOYSA-N 333.357 5.062 0 50 EKAA Clc1cccc(OCCCOc2cccc3cccnc23)c1Cl 2984369 IFHCTNJAMRHWLS-UHFFFAOYSA-N 348.229 5.390 0 50 EKAA COc1cc(C)ccc1OCCn1c2ccccc2c2ccccc21 2991740 TZGUWBXSKBWUHX-UHFFFAOYSA-N 331.415 5.191 0 50 EKAA CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 248215316 FXRHXRDCVQLOSA-FUUSMOTLSA-N 333.903 5.021 0 50 EKAA CC(C)Oc1ccnc(CSCC2CCC(C(C)(C)C)CC2)c1 1875332992 UIMDMOPVNBBNMI-UHFFFAOYSA-N 335.557 5.955 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 399277 BLIADKZSXUEGQE-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA O=C(CC(CC(=O)c1cccs1)c1ccccc1)c1cccs1 405042 DRWSWAWYINPDCW-UHFFFAOYSA-N 340.469 5.439 0 50 EKAA Nc1ccc(Oc2ccc(Cl)c3cccnc23)c(Br)c1 444668 QUUULOSJPYDGAC-UHFFFAOYSA-N 349.615 5.025 0 50 EKAA CC1=CC(C)(C)N(C(=O)CSc2ccc(C)cc2)c2ccccc21 459724 LLGCMMLLVXXBHF-UHFFFAOYSA-N 337.488 5.316 0 50 EKAA Cc1cc2sc(NC(=O)c3cc4ccccc4o3)nc2cc1Cl 468082 XPGJODCZPZGQPR-UHFFFAOYSA-N 342.807 5.257 0 50 EKAA CCCCc1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1 2835448 GVWMKFXTBYSLEM-UHFFFAOYSA-N 346.927 5.212 0 50 EKAA CCOC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12 1857790497 AGUBCDYYAKENKG-WAGURGNTSA-N 330.512 5.685 0 50 EKAA Cc1nc(-c2ccccc2F)sc1[C@H](C)N[C@@H](C1CCC1)C1CC1 2325827401 FIRNZOGSFUBUJU-SGTLLEGYSA-N 344.499 5.487 0 50 EKAA O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1Cl 447404 OEPMMLPRWOAAJH-UHFFFAOYSA-N 349.261 5.236 0 50 EKAA O=C(Nc1cccc2ccccc12)c1ccc(-c2cccc(Cl)c2)o1 451093 NEBQBLBFPXUTTF-UHFFFAOYSA-N 347.801 6.006 0 50 EKAA Cc1cc(OC(=O)[C@H]2C[C@H]2c2ccccc2)c(C(C)C)cc1Cl 1005007 KXOYGANEMSOCJA-IRXDYDNUSA-N 328.839 5.481 0 50 EKAA CC(C)(C)C(=O)Oc1ccc(-c2ccccc2)cc1Br 1781773 JFDOSHCYFBNDBC-UHFFFAOYSA-N 333.225 5.068 0 50 EKAA CCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 4566400 QDMRWUWLNMRJGL-UHFFFAOYSA-N 339.222 5.426 0 50 EKAA CCOc1ccccc1NC(=S)Nc1c(CC)cccc1CC 13789061 RNQINUJLCJQLBF-UHFFFAOYSA-N 328.481 5.019 0 50 EKAA Cc1ccc(-c2cnn3c(Nc4cccc(Cl)c4)cc(C)nc23)cc1 23114998 CSWUETMWHQMYFL-UHFFFAOYSA-N 348.837 5.410 0 50 EKAA Cc1cc(CSc2ccccc2)ccc1NC(=O)Cc1ccccc1 568578 CYYBCCGBHIBIEG-UHFFFAOYSA-N 347.483 5.469 0 50 EKAA Oc1cccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 2870587 YJFNJVJZVWHFJT-UHFFFAOYSA-N 344.439 5.926 0 50 EKAA COc1cc2c(cc1OC)C(c1ccccc1)(c1ccccc1)C[C@H]2C 5369379 QRFSOICANMXOAU-QGZVFWFLSA-N 344.454 5.545 0 50 EKAA CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(OC)cc2C)cc1 8683486 BLBOGNWRCZWBRL-CYBMUJFWSA-N 328.481 5.326 0 50 EKAA CCc1cc2c(=O)n(-c3ccc([C@H](C)CC)cc3)c(=S)[nH]c2s1 17071931 VRBXPEUHCIHTCA-LLVKDONJSA-N 344.505 5.186 0 50 EKAA Fc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 25583290 KPKCPYKHROLIPA-UNMCSNQZSA-N 344.389 5.068 0 50 EKAA Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1cccc(Cl)c1 173865 ZPRYGHHXZGUHJC-CQSZACIVSA-N 342.870 5.973 0 50 EKAA COc1ccc(/C=C/c2ccc(C(=O)c3ccccc3)cc2)cc1OC 302270 AYZSJQCYSOSGQK-CMDGGOBGSA-N 344.410 5.105 0 50 EKAA COc1ccccc1Nc1nc(-c2ccc3ccccc3c2)cs1 437635 XVJMHDKOUICUFB-UHFFFAOYSA-N 332.428 5.716 0 50 EKAA Clc1cccc(CN2CCC(Cc3ccccc3)CC2)c1Cl 4990306 ASGQZFVOQQYBNX-UHFFFAOYSA-N 334.290 5.448 0 50 EKAA CCc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 136663748 WYKHZCQTFQGUQH-BQEVRZRTSA-N 347.458 5.244 0 50 EKAA CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]32)C1 253610018 FQADBEOLIYAFDV-BJHMGQCVSA-N 346.555 5.494 0 50 EKAA Cc1cc(C)c(O)c(NC(=O)c2csc(C3CCCCC3)c2)c1 2325840281 WIQRLDBTGMSMNX-UHFFFAOYSA-N 329.465 5.371 0 50 EKAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2oc3c(c12)CCCC3 407786 ZRAPGAIJNAAUBI-UHFFFAOYSA-N 330.383 5.393 0 50 EKAA CCOc1cc(C=O)cc(Cl)c1OCc1cccc2ccccc12 453664 PWAQOUOZFVSNTG-UHFFFAOYSA-N 340.806 5.283 0 50 EKAA Cc1ccc(-c2nc(-c3ccc(Br)cc3)no2)c(Cl)c1 458389 QFUIMFNCSREKRW-UHFFFAOYSA-N 349.615 5.128 0 50 EKAA CCCCC(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C 1770796 QOHJFLQJQNTXQD-HSZRJFAPSA-N 335.491 5.698 0 50 EKAA O=C(CCCOc1ccccc1)Nc1ccccc1-c1ccccc1 2839740 YNFXZUTTZPHUKB-UHFFFAOYSA-N 331.415 5.151 0 50 EKAA Fc1ccc(NC(=S)Nc2cccc3ccccc23)cc1Cl 2848078 UXILNTXTBCMFBD-UHFFFAOYSA-N 330.815 5.441 0 50 EKAA CCCCSc1ccc(NCCC(=O)c2ccc(OC)cc2)cc1 2875451 JQVQFEYYSPDJQE-UHFFFAOYSA-N 343.492 5.272 0 50 EKAA CCc1ccc2occ(CC(=O)Nc3cccc(Cl)c3Cl)c2c1 2875860 NZBFCCGOSBTROJ-UHFFFAOYSA-N 348.229 5.483 0 50 EKAA Fc1ccccc1-n1ncc2c(C(F)F)cc(-c3cccs3)nc21 20615066 XHDHVTGPXXFJQY-UHFFFAOYSA-N 345.349 5.226 0 50 EKAA CN(C)c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)sc2c1 685944225 DIZDNWPAKZMIBH-BJMVGYQFSA-N 348.393 5.552 0 50 EKAA C[C@@H](N[C@H](C)c1csc2ccccc12)c1cccc(-n2cccn2)c1 2325877982 ATZZDUROECFBCD-HZPDHXFCSA-N 347.487 5.499 0 50 EKAA Cc1nc(Nc2ccc(-c3cccc(F)c3F)cn2)c2ccccc2n1 2356149366 WRLNPNLXSHKODA-UHFFFAOYSA-N 348.356 5.022 0 50 EKAA CCc1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 95049 CFITZERXFQCTHW-UHFFFAOYSA-N 340.810 5.118 0 50 EKAA COc1ccc(C[C@H](C)N[C@H](C)c2cccc3ccccc23)cc1OC 217433 PUWIKFREHDQCHT-DLBZAZTESA-N 349.474 5.139 0 50 EKAA CCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2C)cc1Cl 460805 JRDDUNSCXFZGHY-UHFFFAOYSA-N 338.234 5.261 0 50 EKAA C[C@@H](NC(=O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2 1071950 XPPSFAFSBCYUAC-MRXNPFEDSA-N 329.443 5.210 0 50 EKAA COc1cccc2c1O[C@]1(C=C2)c2ccccc2-c2ccccc2N1C 2493350 HFVICFVDELKUOE-HSZRJFAPSA-N 341.410 5.071 0 50 EKAA CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN12 5591523 PHWIMVMNWHJCBG-GMAHTHKFSA-N 342.442 5.510 0 50 EKAA CC(C)=C1CC(C)(C)N=C1CCCCC1=NC(C)(C)CC1=C(C)C 71770063 QMVTXGHLOXWRBD-UHFFFAOYSA-N 328.544 6.466 0 50 EKAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2ccccc2)CC1 1875336324 CSXURQFFYDZTBZ-SAABIXHNSA-N 339.504 5.287 0 50 EKAA O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3)cc12 71213 VSCDYDUDSRVDAO-UHFFFAOYSA-N 344.366 5.377 0 50 EKAA biogenic Cc1ccccc1NC(=S)N[C@H](Cc1ccccc1)c1ccccc1 410148 VXMNLNPMEWKCMJ-OAQYLSRUSA-N 346.499 5.265 0 50 EKAA CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3)nc2c1 464888 WWFNNYNLONUOLM-CQSZACIVSA-N 336.435 5.603 0 50 EKAA Cc1ccccc1OCCCC(=O)Nc1ccc(Cl)c(Cl)c1 1772497 YJHZBGAXNCYVOL-UHFFFAOYSA-N 338.234 5.100 0 50 EKAA CN(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 2471802 MJYVWFIHMQQOLI-UHFFFAOYSA-N 332.428 5.546 0 50 EKAA Cc1ccc(C)c(-c2nc(NC(=O)c3csc(C)c3)sc2C)c1 2755062 YLPZCRBYYHRCAT-UHFFFAOYSA-N 342.489 5.358 0 50 EKAA CC(C)c1cc(C(C)C)c(NC(=O)Cc2ccccc2)c(C(C)C)c1 2963318 ZUFXJGCTBRBNEX-UHFFFAOYSA-N 337.507 6.238 0 50 EKAA CCCOc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 4644268 NJTWTUGEINKHCQ-UHFFFAOYSA-N 343.426 5.299 0 50 EKAA COc1ccc(/C=C/C2=Nc3ccccc3NC(C)(C)C2)cc1OC 4810639 OULOHBSPMARUSJ-PKNBQFBNSA-N 336.435 5.084 0 50 EKAA Cc1cc2oc(C(=O)NCc3cc(F)ccc3C)c(C)c2cc1Cl 334163277 YPKWEOSRGUXSDB-UHFFFAOYSA-N 345.801 5.081 0 50 EKAA C[C@@H]1C[C@H](CNc2ccc(Oc3ccc(Cl)cc3)cc2)CCO1 2325864193 INAYCEGQHIGIPK-HUUCEWRRSA-N 331.843 5.359 0 50 EKAA COc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 2141683 ROEBIHQCMZBUOW-UHFFFAOYSA-N 336.434 6.696 0 50 EKAA CCOc1ccc(OCCCCOc2ccc3ccccc3c2)cc1 2984108 LRECAYVWXGPILK-UHFFFAOYSA-N 336.431 5.477 0 50 EKAA CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1(C)C 4686583 JWFQFWIVNAVQED-PXNSSMCTSA-N 333.431 5.763 0 50 EKAA CCCc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 20573091 ANGAUQLVMHHVPH-GFCCVEGCSA-N 334.822 5.314 0 50 EKAA Cc1cc2c(cc1C)C1C(Br)=CC2c2cc(C)c(C)cc21 71782672 VNYCBMAOUILTRL-UHFFFAOYSA-N 339.276 5.790 0 50 EKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C)C(=O)[C@]3(Sc3ccccc3)C[C@@H]12 71786664 ANVKFMGPTIZMOX-SGUUAIRVSA-N 342.548 5.835 0 50 EKAA Clc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccccc1 169961685 XHRKYWAYVKLOIZ-UHFFFAOYSA-N 334.806 5.462 0 50 EKAA c1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 60386 HQOJMWWJCILSIP-UHFFFAOYSA-N 330.503 5.123 0 50 EKAA Cc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1C 433943 JAZUEYRBMDRPOK-UHFFFAOYSA-N 344.458 5.191 0 50 EKAA Cc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c(C)c1 444940 UWRZQWTXJVUUKW-UHFFFAOYSA-N 346.430 5.065 0 50 EKAA Cc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1Cl 619103 VTUUSHYSZSDBDA-UHFFFAOYSA-N 345.682 5.764 0 50 EKAA CCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 2924545 MIXYKGRJXFQSHP-UHFFFAOYSA-N 344.867 5.914 0 50 EKAA Cc1ccc(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 4870392 NJDUMOPLYMSEGM-UHFFFAOYSA-N 340.810 5.106 0 50 EKAA CC(=O)c1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 91704 IVSJPRCPKWFORR-UHFFFAOYSA-N 346.411 5.353 0 50 EKAA Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1 450512 JWXXRTUOMTWHSS-HXUWFJFHSA-N 348.833 5.420 0 50 EKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1C[C@H]1c1ccccc1 476217 OUDZZEPJMZRYDF-WDEREUQCSA-N 340.637 5.389 0 50 EKAA Cc1cccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)c1 1058669 HZTYBOXEGCOQIN-UHFFFAOYSA-N 336.460 5.108 0 50 EKAA c1ccc(C2=N[C@@H](c3ccccc3)c3c(ccc4ccccc34)N2)cc1 2494478 RLLZDIXPNCTESL-QHCPKHFHSA-N 334.422 5.802 0 50 EKAA O=c1c2cccc3c2c(nn1-c1ccc2ccccc2c1)-c1ccccc1-3 2815797 RMEQASILQNCQDZ-UHFFFAOYSA-N 346.389 5.186 0 50 EKAA Cc1ccc(C)c(NC(=O)N2CCCCC[C@@H]2c2cccs2)c1 15866993 DWXXYSIENVDIRS-QGZVFWFLSA-N 328.481 5.514 0 50 EKAA O=C(Nc1ccccc1C(F)(F)F)Nc1cccc(Cl)c1Cl 17072494 MVZXXORBMVKNBF-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21 20605160 PMNJTUCMUYQMPR-UHFFFAOYSA-N 333.357 5.144 0 50 EKAA O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccc(Cl)cc2)o1 309645 LHARKCCBAMGAPE-UHFFFAOYSA-N 333.721 5.131 0 50 EKAA C/C=C/c1c(F)c(F)c(Oc2ccc(C(=O)CC)cc2)c(F)c1F 472166 OJVMLNDKJNYIBG-HWKANZROSA-N 338.300 5.661 0 50 EKAA O=C(c1ccccc1)c1cn(Cc2ccccc2F)c2ccccc12 573693 GVJFZYKSDCKHDR-UHFFFAOYSA-N 329.374 5.060 0 50 EKAA CC(C)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 580717 GMSNPUOFHUEALD-UHFFFAOYSA-N 338.234 5.134 0 50 EKAA Cc1c(Cl)ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1Cl 2863088 SRKJUCQUNKSBLQ-UHFFFAOYSA-N 336.262 5.852 0 50 EKAA CCOc1ccccc1OCCCCOc1cccc2ccccc12 2983542 IFZQJXWUGFIGPV-UHFFFAOYSA-N 336.431 5.477 0 50 EKAA CCc1c(-c2ccc(F)cc2)sc(-c2ccc(F)cc2)c1CC 3107485 CVSSABSBSPLUOS-UHFFFAOYSA-N 328.427 6.485 0 50 EKAA Cc1oc(-c2cccc3ccccc23)nc1CN(C)C(C1CC1)C1CC1 12022722 KFMFEOUNOFHBRV-UHFFFAOYSA-N 346.474 5.424 0 50 EKAA Cc1ccc(C2=NN3[C@H](C(C)C)Oc4ccc(Cl)cc4[C@H]3C2)cc1 15224438 ZKJXTIDGBCQWFN-QUCCMNQESA-N 340.854 5.174 0 50 EKAA Cc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1C 20605397 INUFYOZVHXXFAR-UHFFFAOYSA-N 332.325 5.403 0 50 EKAA Cc1ccsc1CN(C)Cc1nc(-c2ccc(Cl)cc2)oc1C 67935156 PNHHOVSWMRJEEZ-UHFFFAOYSA-N 346.883 5.305 0 50 EKAA Cc1ccc(C)c(C(c2cc(C)ccc2C)c2cc(C)ccc2C)c1 71787083 FVDRNGMTTGCMSB-UHFFFAOYSA-N 328.499 6.717 0 50 EKAA CCCCCCn1c2ccccc2c2ccc(Br)cc21 218667191 YGTIVQCXTOGVMV-UHFFFAOYSA-N 330.269 6.137 0 50 EKAA in-vitro CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc2ccccc12 44321 RGRMTRZXDADKBI-CZUORRHYSA-N 334.246 5.370 0 50 EKAA Cc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)c(C)c1 2493701 IWERXCQZESBZAK-UHFFFAOYSA-N 341.414 5.363 0 50 EKAA Cc1ccc(F)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C 3566414 PKGHHWVTBHVIRO-UHFFFAOYSA-N 344.773 5.003 0 50 EKAA COc1ccccc1[C@H](CCN[C@@H](C)c1ccccc1)c1ccco1 4064114 BNUYZJKEVMDDRI-PXNSSMCTSA-N 335.447 5.161 0 50 EKAA biogenic CCN(C(=O)Cc1coc2ccc3ccccc3c12)c1cccc(C)c1 4820834 QCWVPKPBUDXYJW-UHFFFAOYSA-N 343.426 5.490 0 50 EKAA Oc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 4953250 QCPDFNWJBQMXLI-UHFFFAOYSA-N 338.410 5.535 0 50 EKAA biogenic Fc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 6338248 KPKCPYKHROLIPA-RBBKRZOGSA-N 344.389 5.068 0 50 EKAA O=C(N1CCC[C@@H]1c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 36620522 RUQBAUHFCRABTR-KXDMBUCYSA-N 343.898 5.220 0 50 EKAA CC(C)[C@H](CC1=C(c2ccccc2)CCCC1)C(=O)OC(C)(C)C 43763494 ODSAUCKRGZLKSV-FQEVSTJZSA-N 328.496 6.018 0 50 EKAA CCC[C@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 64859643 KTHPRMCSIRQVGE-KRWDZBQOSA-N 341.454 6.387 0 50 EKAA in-vitro CCc1ccc(OCc2ccc(C(=O)Nc3cc(C)cc(C)c3)o2)cc1 115560 WJPJODAPRRYNHQ-UHFFFAOYSA-N 349.430 5.290 0 50 EKAA CC(C)=CCOc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 388783 DWZBCFNEROJTJP-UHFFFAOYSA-N 348.442 5.346 0 50 EKAA biogenic O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1C[C@H]1c1ccccc1 475971 NPSUQUAIQNLIEB-STQMWFEESA-N 339.744 5.101 0 50 EKAA S=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2cnccc12 1424608 LFECCSFUBWICOS-UHFFFAOYSA-N 348.258 5.351 0 50 EKAA CC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(C)(C)C)c1 1720923 JOKZWHPYNRDCOA-UHFFFAOYSA-N 325.334 6.342 0 50 EKAA in-vitro CC(C)=CCC/C(C)=C/CN1CCN(c2ccccc2Cl)CC1 2498728 RVFZLECLIQNWKN-WOJGMQOQSA-N 332.919 5.155 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Nc1cccc2c(O)cccc12 4771193 IPVKXGNHOBDCCN-UHFFFAOYSA-N 326.783 5.151 0 50 EKAA FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2onc(C3CC3)c12 20605773 HTNIXILQQHVYLG-UHFFFAOYSA-N 338.716 5.439 0 50 EKAA CCc1cc(C(=O)N[C@H](CC)c2ccc([C@@H](C)CC)cc2)cs1 20607062 VAXFPBQRSMBKSV-IFXJQAMLSA-N 329.509 5.705 0 50 EKAA C[C@@H](CCS(=O)(=O)c1ccccc1)C1=C[C@]2(C)C[C@@H]2CC(C)(C)C1 71785978 MJVQFBUMKBXLOX-DJPFJPOOSA-N 346.536 5.259 0 50 EKAA Brc1ccc2c(c1)C1(SCCS1)c1ccccc1-2 196692531 WHSXZCGUAAHMBX-UHFFFAOYSA-N 335.291 5.111 0 50 EKAA in-vitro CCc1ccc(CC)c(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c1 2325824054 NLWQCKPGIRYVGA-UHFFFAOYSA-N 343.883 5.149 0 50 EKAA Fc1cccc(-c2ccc(Nc3ccc4scnc4c3)nc2)c1F 2356165241 ZHTMFCAXZIALPP-UHFFFAOYSA-N 339.370 5.380 0 50 EKAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccs1 9117 UHMIRDSPQBODCP-YJBOKZPZSA-N 348.471 5.340 0 50 EKAA CC(=O)Nc1ccc(-c2csc(Nc3cc(C)ccc3C)n2)cc1 1122580 HTAXEGHBKQLFHN-UHFFFAOYSA-N 337.448 5.129 0 50 EKAA Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl 2521620 WIDHRBRBACOVOY-UHFFFAOYSA-N 326.437 6.621 0 50 EKAA biogenic,in-vitro CCc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1 20192194 OJPXBGMHLOWFKM-LLVKDONJSA-N 337.250 5.439 0 50 EKAA Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1Cl 110866 MPUNZYYDVBOPJV-UHFFFAOYSA-N 349.817 5.525 0 50 EKAA CN(Cc1ccccc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 455892 QLRFEVYOIPWCFB-NRFANRHFSA-N 347.483 5.179 0 50 EKAA Cc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 456962 KNUOYKSJKQYUFY-HXUWFJFHSA-N 333.456 5.467 0 50 EKAA CC[C@H](C)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 464550 FLJWTCYLOABMRP-ZDUSSCGKSA-N 333.884 5.584 0 50 EKAA C[Si](C)(C)C[C@H](c1cccc2ccccc12)n1nnc2ccccc21 195815942 DEWHHHADGQDGND-OAQYLSRUSA-N 345.522 5.512 0 50 EKAA CC(C)(C)C1CCC2(CC1)NN=C(c1cccc3ccccc13)S2 670419175 MTWYQLAKYTUHEH-UHFFFAOYSA-N 338.520 5.770 0 50 EKAA CCC1(CC)O[C@H](c2cc(Cl)c(O)c(OC)c2)Nc2ccccc21 95059 AJGNZSDGAUOAGX-GOSISDBHSA-N 347.842 5.210 0 50 EKAA CC(C)c1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 208174 JJZPRELVILGKAG-UHFFFAOYSA-N 340.426 5.176 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)Oc1cccc2cccnc12 398071 NRZQZRPKUKHRFS-UHFFFAOYSA-N 333.174 5.153 0 50 EKAA CCn1c(SCc2cccc3ccccc23)nnc1-c1ccco1 2542412 VLWJWVLYSMBFKN-UHFFFAOYSA-N 335.432 5.004 0 50 EKAA O=C(Nc1cccc2ccccc12)N1CCC(Cc2ccccc2)CC1 4543101 LDLWWGWZXFKICQ-UHFFFAOYSA-N 344.458 5.326 0 50 EKAA C(=C/COc1ccc2ccccc2c1)\COc1ccc2ccccc2c1 4583082 ONTPUPMQJMLQQS-AATRIKPKSA-N 340.422 6.007 0 50 EKAA c1ccc([C@H]2CCC[C@@H]2CNCc2cccc(CC3CCC3)c2)cc1 2325842327 VBESAZCNINJBPX-DNQXCXABSA-N 333.519 5.703 0 50 EKAA CCCc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccn1 32915 FYCNBEGGRGPPBC-UHFFFAOYSA-N 349.286 6.131 0 50 EKAA Cc1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 175129 DBZFJIMZSZEQFS-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA COc1cc(C=O)cc(Cl)c1OCc1c(Cl)cccc1Cl 615692 JWABMJDIYZETMF-UHFFFAOYSA-N 345.609 5.047 0 50 EKAA COc1cccc(NC(=S)Nc2ccccc2-c2ccccc2)c1 618820 BNRNLZJTNRWQGT-UHFFFAOYSA-N 334.444 5.171 0 50 EKAA Cc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1925886 HZZGZKLLZXOHSU-LFIBNONCSA-N 343.426 5.226 0 50 EKAA Cc1sc2nc(-c3ccc(-c4ccccc4)cc3)oc(=O)c2c1C 2276163 TXNBGYBRDKWYCE-UHFFFAOYSA-N 333.412 5.200 0 50 EKAA CCc1ccccc1NC(=O)c1cc2cc(Br)ccc2o1 4855689 AAOCLURKUHJPCJ-UHFFFAOYSA-N 344.208 5.010 0 50 EKAA CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OC1CCCC1 5027716 RADSJPRCJFJBAC-KRWDZBQOSA-N 339.479 5.258 0 50 EKAA Cc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1Cl 72240719 ZJHJIJRMXDNTLF-UHFFFAOYSA-N 337.732 5.354 0 50 EKAA Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)C(C)C)c3ccc(C)cc32)cc1 292630 HLXQKZHSDMFLFU-XLIONFOSSA-N 336.479 5.238 0 50 EKAA O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)o1 316274 BXCWKVYCVDFMCA-UHFFFAOYSA-N 332.186 5.506 0 50 EKAA O=C(NC1CCCCC1)c1sc2cccc(Cl)c2c1Cl 371500 MFGBFQRJRDLDBH-UHFFFAOYSA-N 328.264 5.271 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C 398137 URAMVWGHSVUCNY-UHFFFAOYSA-N 344.886 6.539 0 50 EKAA Cc1ccc(NC(=O)Nc2ccccc2Sc2ccccc2)cc1 2890562 GVPGBEOCSMNFIR-UHFFFAOYSA-N 334.444 5.790 0 50 EKAA Fc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3F)C2)cc1 5018239 BVOJLJSXCSNBMN-OAQYLSRUSA-N 334.369 5.321 0 50 EKAA Cc1ccc(-c2cnn3c(Nc4ccc(C)c(C)c4)cc(C)nc23)cc1 23115000 ILMKCVNOJOYTHR-UHFFFAOYSA-N 342.446 5.374 0 50 EKAA C[C@@H](Cc1c(-c2ccccc2)ncn1C1CCOCC1)c1ccccc1 65433656 SXMACTUWHHGSKK-SFHVURJKSA-N 346.474 5.248 0 50 EKAA Cc1ccc(C)c(NC(=O)c2sc3cc(C)ccc3c2Cl)c1 380984 UQRTWVBYALNMID-UHFFFAOYSA-N 329.852 5.732 0 50 EKAA COc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1 382641 SIYYOUZVSQPQPR-UHFFFAOYSA-N 349.455 5.240 0 50 EKAA Brc1ccc(Oc2ccc(Br)cc2)cc1 388114 YAWIAFUBXXPJMQ-UHFFFAOYSA-N 328.003 5.004 0 50 EKAA biogenic,in-vitro O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl 454101 HAVKAIWRTQJKQJ-UHFFFAOYSA-N 349.861 5.178 0 50 EKAA O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccnc1 568435 VGWURUOHVUONGT-UHFFFAOYSA-N 348.185 5.005 0 50 EKAA O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1Cl 2779957 PKIFLVKBDFCYKT-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA Cc1ccc2oc(C(=O)Nc3ccc(-c4ccccc4)cc3)c(C)c2c1 2842124 YQUVKTFUVVGALR-UHFFFAOYSA-N 341.410 5.969 0 50 EKAA Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(C)(C)C)cc1 4832143 JUMGEHPJRKXINQ-OAHLLOKOSA-N 327.493 5.412 0 50 EKAA c1ccc(/N=c2\sc3ccccc3s\c2=N\c2ccccc2)cc1 17255860 FMVHAGUFSUOTQL-OLAQIDGISA-N 346.480 5.428 0 50 EKAA CC1=CCC[C@@H](C)[C@H]1CNc1ccccc1CN(C)c1ccccc1 2325817677 KTKMKSOXPJAQKG-KNQAVFIVSA-N 334.507 5.727 0 50 EKAA CC(C)(C)c1cc(C(=O)Nc2ccc(Cl)cn2)cc(C(C)(C)C)c1 2813066 BDWXETQRFQDZAV-UHFFFAOYSA-N 344.886 5.582 0 50 EKAA CCCC1=NC(c2ccccc2)(c2ccccc2)c2ccccc2O1 4006665 ZZHKRBIGLRIGMW-UHFFFAOYSA-N 327.427 5.570 0 50 EKAA O=C(CCc1ccc(-c2cccc(Cl)c2)o1)Nc1ccc(F)cc1 4541875 OIWGTJAFEJDXAN-UHFFFAOYSA-N 343.785 5.310 0 50 EKAA CCC[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 25759670 HZISAOWMFZTPIE-QUCCMNQESA-N 340.854 5.400 0 50 EKAA Cc1nc(-c2ccc(-c3ccc(Br)cc3)cc2)cs1 84847108 QSZZRPKYBPZIRT-UHFFFAOYSA-N 330.250 5.548 0 50 EKAA Cc1ccc2sc(-c3ccc(NCc4ccncc4)cc3)nc2c1 78106 DESIQSUJROWXSX-UHFFFAOYSA-N 331.444 5.279 0 50 EKAA O=C1C[C@@H](c2cccc(Cl)c2Cl)c2ccc3ccccc3c2N1 124129 CSZUIPKTMYXQAF-HNNXBMFYSA-N 342.225 5.621 0 50 EKAA CC(C)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 182597 QRFNGMMAEQHDLC-UHFFFAOYSA-N 343.426 5.686 0 50 EKAA Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 496456 DXQINUCPHKYPCP-UHFFFAOYSA-N 327.733 5.228 0 50 EKAA c1ccc2c(OCCCOc3cccc4ccccc34)cccc2c1 2880372 PBTIRDXINVQTHZ-UHFFFAOYSA-N 328.411 5.841 0 50 EKAA COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1ccccc1 3898184 PUYJFJIIBMNMGD-NRFANRHFSA-N 328.415 5.051 0 50 EKAA CCCCCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 5465286 CEULLXFSTUWAKT-UHFFFAOYSA-N 336.262 5.978 0 50 EKAA Cc1ccsc1CN(C)Cc1nc(-c2ccccc2Cl)oc1C 20598245 JJQSFVABKSZXMK-UHFFFAOYSA-N 346.883 5.305 0 50 EKAA FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3ccccc3)nn12 165680 ZWWJRZXOLCOVLO-UHFFFAOYSA-N 345.349 5.144 0 50 EKAA COc1ccc(CCCC(=O)Nc2cccc3ccccc23)c(C)c1 361031 WYWXPDSEPDJLTB-UHFFFAOYSA-N 333.431 5.118 0 50 EKAA Cc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 25763298 YRVQDSOXFILBJR-GGAORHGYSA-N 340.426 5.237 0 50 EKAA CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 36620908 ASSKFOBYTJXUIS-GOSISDBHSA-N 328.843 5.271 0 50 EKAA CC(C)[C@@H]1CC[C@@H]2C[C@@H]3[C@H](C[C@@H]12)C(=O)[C@]12CC[C@@H](C)[C@@H]1CC[C@@]32C 71786334 IDKZLVVDDCTAHM-ZTUULUKLSA-N 328.540 5.726 0 50 EKAA FC(F)(F)c1ccc(Br)cc1OCc1ccccc1 74937867 CXZBDQXKMPHRCW-UHFFFAOYSA-N 331.131 5.047 0 50 EKAA in-vitro O=C(C[C@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 140487647 SXLCSNBAKSFHOH-FQEVSTJZSA-N 335.834 5.766 0 50 EKAA C=Cc1ccc(-c2cccc(C(=O)N(CCC)C3CCCC3)c2)nc1 534574502 ACRUVVNZZRQSFL-UHFFFAOYSA-N 334.463 5.186 0 50 EKAA CC(C)Oc1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 36044 LINDCXUONPPUSZ-UHFFFAOYSA-N 347.414 5.518 0 50 EKAA O=C(Nc1nc2ccccc2s1)Nc1cc(Cl)ccc1Cl 398341 KWQCFTGSJGQQDU-UHFFFAOYSA-N 338.219 5.247 0 50 EKAA Cc1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc12 1770432 BANTWGAXHWCUFS-UHFFFAOYSA-N 345.833 6.002 0 50 EKAA CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1N 2753799 ALZUZJDASXBUEH-UHFFFAOYSA-N 329.465 5.222 0 50 EKAA Cc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1Cl 2764285 MREQFWQKYXJYCQ-UHFFFAOYSA-N 326.827 5.009 0 50 EKAA c1ccc(C2(c3ccccc3)CC2(c2ccccc2)c2ccccc2)cc1 3075460 XMSQMRHZMLRRDE-UHFFFAOYSA-N 346.473 6.363 0 50 EKAA CC1(C)COP(=O)([C@@H](Nc2ccccc2)c2ccccc2)OC1 15635826 IGFZDWKOBNUVGY-QGZVFWFLSA-N 331.352 5.063 0 50 EKAA CCc1ccc(NC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 17066810 BLXNKUMMJPANRH-UHFFFAOYSA-N 326.440 5.199 0 50 EKAA O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=Nc2ccccc21 18283786 OCCYSLMMFSKMAH-UHFFFAOYSA-N 332.790 5.075 0 50 EKAA c1ccc2cc(CN3CCN4CCC[C@@H]4[C@@H]3C3CCCCC3)ccc2c1 39769802 IKAFQONNWBCPOP-RPWUZVMVSA-N 348.534 5.069 0 50 EKAA CCCn1cc(-c2ccc(Oc3ccccc3Cl)cc2)c(C)n1 1875339874 BFSCPLMUHXLMLY-UHFFFAOYSA-N 326.827 5.714 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)c1cccc(Br)c1 306800 LOHWHTSDYVETHA-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2Cl)c1 390011 GSSMTZNWHWLNMJ-UHFFFAOYSA-N 349.817 5.132 0 50 EKAA COc1cc(SC)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1 614252 VXWVKIYHZRCAMS-UHFFFAOYSA-N 349.455 5.336 0 50 EKAA O=C(COc1ccccc1Cl)N(C1CCCCC1)C1CCCCC1 1179310 OMYFOFJMGHHMIZ-UHFFFAOYSA-N 349.902 5.213 0 50 EKAA C[C@@H](O)CCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12 2518785 SBKRHUPINGVXMB-SNVBAGLBSA-N 336.218 5.115 0 50 EKAA Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1 2566936 LACXVZHAJMVESG-UHFFFAOYSA-N 326.437 6.621 0 50 EKAA biogenic,in-vitro CC1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 4854023 RREIPSJJKAHKSY-INIZCTEOSA-N 347.245 5.273 0 50 EKAA CCn1ncc2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21 20615859 JRIYITZRSYANRX-UHFFFAOYSA-N 347.384 5.435 0 50 EKAA O=C1CC[C@@H](CC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 43763614 RMLLIQFHPBDKCG-QFIPXVFZSA-N 342.438 5.117 0 50 EKAA CC(C)(C)N1CC[C@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 101359074 UIPXASUPMLVUNE-VQTJNVASSA-N 343.898 5.319 0 50 EKAA Cc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1Cl 452412 AGKGZSGHIPGOMD-UHFFFAOYSA-N 340.275 5.423 0 50 EKAA C[C@@H]1CCCCN1c1ncnc2scc(-c3ccc(Cl)cc3)c12 1927125 ZTCDBFXGSXHABU-GFCCVEGCSA-N 343.883 5.391 0 50 EKAA O=C(CSc1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl 5013789 VGLMFSRUANRPMU-UHFFFAOYSA-N 346.666 5.378 0 50 EKAA COc1cccc(-c2coc3cc4oc(=O)c5c(c4cc23)CCCC5)c1 95337 MVWBWROEAXLDJT-UHFFFAOYSA-N 346.382 5.094 0 50 EKAA biogenic O=C(Nc1ccc2nc(-c3ccccc3)sc2c1)c1cccs1 371670 GZKLFSFECBAFJV-UHFFFAOYSA-N 336.441 5.277 0 50 EKAA C[C@@H](CC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 2873147 VNJBOHMEOBHLNF-KRWDZBQOSA-N 347.483 5.970 0 50 EKAA Cc1cc(C(F)(F)F)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 20605339 PDOCHZFLXOPQLC-UHFFFAOYSA-N 337.320 5.010 0 50 EKAA Cc1cccc([C@H]2CCCCCN2C(=O)Nc2cc(C)ccc2C)c1 64984639 WOVVWWAZJMMYIE-OAQYLSRUSA-N 336.479 5.761 0 50 EKAA O=C(Nc1scnc1-c1ccccc1)c1ccccc1C(F)(F)F 161411802 OYRQUDBQBHDQSL-UHFFFAOYSA-N 348.349 5.081 0 50 EKAA C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1 449707 VYAXUCXEWHANSU-LAUBAEHRSA-N 347.483 5.397 0 50 EKAA O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1 1096734 AJQWEMMVILDOGC-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA Brc1ccc(/C=C/c2ccc(Br)cc2)cc1 2565509 JEHMPNUQSJNJDL-OWOJBTEDSA-N 338.042 5.382 0 50 EKAA in-vitro O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 13831241 DGENZVKCTGIDRZ-UHFFFAOYSA-N 347.414 5.108 0 50 EKAA in-vitro Cc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1 91227 RWGYPISVFKZDGV-UHFFFAOYSA-N 346.455 5.508 0 50 EKAA Cc1ccc(-c2coc3c2c(C)cc2oc(=O)c4c(c23)CCCC4)cc1 95460 MFVZAJXONBSHCK-UHFFFAOYSA-N 344.410 5.702 0 50 EKAA Cc1ccc(NC(=O)Oc2cc(Cl)c(Cl)cc2Cl)c(C)c1 401777 YABVZMZDSODWCB-UHFFFAOYSA-N 344.625 5.875 0 50 EKAA c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4806412 RFGSRKHZQYWJJW-UHFFFAOYSA-N 335.450 6.091 0 50 EKAA C[C@@H]1CCCN(CCCCOc2cccc(Oc3ccccc3)c2)C1 4915076 ZTKFGNYPKVEASF-LJQANCHMSA-N 339.479 5.370 0 50 EKAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(C(F)(F)F)c1 5064035 MNXAHHONHZJZAT-UHFFFAOYSA-N 337.385 5.250 0 50 EKAA COc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 88827 VGZASOWFJNZLBC-NRFANRHFSA-N 349.405 5.261 0 50 EKAA FC(F)(F)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 99395 QPLWGYFPPUYOHT-UHFFFAOYSA-N 345.151 5.410 0 50 EKAA CCc1cc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2cc1OC 178224 WSAPGCDMHGQRIL-UHFFFAOYSA-N 348.320 5.050 0 50 EKAA S=C(Nc1cccc2ccccc12)N1CCCC[C@H]1c1cccnc1 204190 OPWNPYKQOQUAOI-FQEVSTJZSA-N 347.487 5.159 0 50 EKAA biogenic CCOc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1 310740 NYCVESCLSQXJOH-UHFFFAOYSA-N 332.403 5.081 0 50 EKAA Cc1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2C)cc1 1164399 FUNSUDKNBKSITL-UHFFFAOYSA-N 348.320 5.008 0 50 EKAA CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 2053413 DXSVHVCWDRJTFB-UHFFFAOYSA-N 344.458 5.452 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)c3ccc(F)cc3)ccc21 2176720 MWFKHWGRAKTKJB-UHFFFAOYSA-N 332.378 5.206 0 50 EKAA O=C(/C=C/c1cc(C(F)(F)F)ccc1F)Nc1ccc(Cl)cc1 2546568 YBSVRMKGXXIHTB-UNXLUWIOSA-N 343.707 5.150 0 50 EKAA O=C(Nc1cnc2ccccc2c1)N(c1ccccc1)c1ccccc1 2550693 KOIYDKQTUUDHRR-UHFFFAOYSA-N 339.398 5.605 0 50 EKAA Cc1cccc(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)c1 4189181 CIGOGWCBUXBRCM-CYBMUJFWSA-N 342.508 5.042 0 50 EKAA CCc1nnc(SCc2c(Cl)cccc2Cl)n1C(C)C 17067634 JUEWOCSFCNUTJU-UHFFFAOYSA-N 330.284 5.021 0 50 EKAA C[C@H](NC(=S)Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 17072493 FPOCUITVEFFLAL-UHSVVUDUSA-N 348.943 5.231 0 50 EKAA Cc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1C 20394583 BQHJOJSZJGIKMD-GFCCVEGCSA-N 337.250 5.493 0 50 EKAA CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C1C=C(C(C)C)CC[C@@H]12 34375325 AGUBCDYYAKENKG-SEIRJHJZSA-N 330.512 5.685 0 50 EKAA biogenic,in-vitro S=C1Nc2ccc3ccccc3c2-c2c(ccc3ccccc23)N1 48660967 VPXYLHLDNRBKFM-UHFFFAOYSA-N 326.424 5.782 0 50 EKAA CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2Br)cc1 85224954 OPPSYCGZHQVDPM-UHFFFAOYSA-N 345.324 6.711 0 50 EKAA in-vitro CC(=O)c1c(Cl)c(Cl)c([Si](C)(C)C)c(Cl)c1Cl 169817648 LAWXYHBCBOQDTA-UHFFFAOYSA-N 330.114 5.048 0 50 EKAA Cc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 2444768 VLAQEKFXZNQJCQ-UHFFFAOYSA-N 336.431 5.082 0 50 EKAA OCCCCCCCCCCCCCCCCCCCCCCO 5501068 HIBKFQRBONXURO-UHFFFAOYSA-N 342.608 6.773 0 50 EKAA biogenic,in-vitro COc1ccc(C(C)(C)C)cc1NC(=S)N[C@H](C)c1ccccc1 17071602 QACQZPURBOPCMX-CQSZACIVSA-N 342.508 5.040 0 50 EKAA Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 36620682 UZEYZXXRKGFTBW-GOSISDBHSA-N 328.843 5.326 0 50 EKAA CCC[C@H](NC[C@@H]1CC[C@H]2C[C@H]21)c1ccc(Oc2ccccc2)cc1 2325822373 TZJOBNXUKAHLBP-LBVMUVSTSA-N 335.491 5.956 0 50 EKAA Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1Cl 453673 JHTPBQCIGHEBRD-LLVKDONJSA-N 340.275 5.421 0 50 EKAA CC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 455772 YOJSBVLAALRFFZ-UHFFFAOYSA-N 339.778 5.055 0 50 EKAA Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1Cl 462107 UFNPXRVECSEWAY-UHFFFAOYSA-N 338.234 5.098 0 50 EKAA O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1 476090 IQUXTWRZSCAZAJ-QHHAFSJGSA-N 344.600 5.438 0 50 EKAA Cc1ccccc1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807522 XKGURHVUDIEBFQ-UHFFFAOYSA-N 345.833 6.002 0 50 EKAA COc1cccc2c1O[C@@]1(C=C2)c2ccccc2-c2ccccc2N1C 2493351 HFVICFVDELKUOE-QHCPKHFHSA-N 341.410 5.071 0 50 EKAA Cc1[nH]c2ccccc2c1-c1cc2c3c(C)n(C)c(C)c3c(C)nn2c1 4751638 NWGCVAYGFPKOMI-UHFFFAOYSA-N 342.446 5.208 0 50 EKAA COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2F)cc1 22015994 LFTUFOSVQFLBBO-QFIPXVFZSA-N 346.405 5.190 0 50 EKAA OC1=C2C(=Nc3ccccc3S[C@@H]2c2cccs2)c2ccccc21 100089097 ALQRLVIRRMBLPI-HXUWFJFHSA-N 347.464 5.999 0 50 EKAA CC[C@H](SCc1nc(O)c2cc(Cl)ccc2n1)c1ccccc1 466980348 GJQJOZQWRFKNGH-INIZCTEOSA-N 344.867 5.373 0 50 EKAA C[C@@H](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 303711 HXRJFKWLCYGDFF-JTQLQIEISA-N 342.653 5.779 0 50 EKAA O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 3080952 NIJJMYURMDMMNT-UHFFFAOYSA-N 345.773 5.090 0 50 EKAA C[C@H]1C[C@@H](C)C[C@H](Cn2c(=O)n(C3=CCCCC3)c3ccccc32)C1 1875357443 HPJGEWZKUCQBIK-PIIMJCKOSA-N 338.495 5.290 0 50 EKAA O=C(/C=C/c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 46479 JIRASMUMNMAOST-VOTSOKGWSA-N 326.610 5.299 0 50 EKAA CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 56536 KOJXGMJOTRYLBD-UHFFFAOYSA-N 332.399 5.047 0 50 EKAA in-vitro Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 397188 BBCOEADOJWPHKO-UHFFFAOYSA-N 344.458 5.538 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl 397972 XNMAYNHZFCDHTH-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA Cc1ccc(NC(=O)Oc2cc(C)c(Cl)c(C)c2Cl)cc1C 401772 WKQPQOAJTFBNPF-UHFFFAOYSA-N 338.234 5.838 0 50 EKAA CC(C)CN(CC(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 1021591 YFMWFMCLRQMUIU-VQTJNVASSA-N 329.528 5.228 0 50 EKAA Cc1cccc2c(C(=O)N3CCC(C)CC3)cc(-c3ccccc3)nc12 1459100 HORBJZDJLFIYQM-UHFFFAOYSA-N 344.458 5.082 0 50 EKAA O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 2510375 COGNYSHDDUWIPU-UHFFFAOYSA-N 344.241 5.832 0 50 EKAA CN(Cc1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21 2885120 HENOTYUSLVTKLE-UHFFFAOYSA-N 346.455 5.541 0 50 EKAA COc1ccc(Cl)cc1Nc1cc(C)nc2ccc(Cl)cc12 6500480 LXOKKMMPKDWHAE-UHFFFAOYSA-N 333.218 5.602 0 50 EKAA CC1(C)C[C@@](C)(c2ccc3ccccc3c2)c2c1ccc1ccccc21 71785307 LLKXEMUOSCULRB-SANMLTNESA-N 336.478 6.980 0 50 EKAA CCOc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1 675029187 GGJMGGARXXPPBV-QFIPXVFZSA-N 345.442 5.512 0 50 EKAA Clc1nc(-c2ccccc2)nc(-c2ccccc2)c1Br 343617 NXQCAGHYCYAXFJ-UHFFFAOYSA-N 345.627 5.227 0 50 EKAA O=Cc1c(OCc2cccc(C(F)(F)F)c2)ccc2ccccc12 1399575 QVYBAIFKYHLJAB-UHFFFAOYSA-N 330.305 5.250 0 50 EKAA C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)s1 13744547 MKSZIGCULMHXTJ-ZETCQYMHSA-N 349.670 5.591 0 50 EKAA COc1cccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)c1 303411 ZBGQWEMIHIEGKY-UHFFFAOYSA-N 333.387 5.048 0 50 EKAA CCCCCN(CCCCC)C(=S)Nc1cc(C)ccc1OC 2851408 YXFMSQIDKXWVEB-UHFFFAOYSA-N 336.545 5.383 0 50 EKAA Cc1cc(C)nc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 13320492 IREWXYOOKDVMMG-UHFFFAOYSA-N 343.736 5.015 0 50 EKAA CCCCCCc1ccc(OCc2ccccc2Br)cc1 43162849 GMKYVSBVQOQIOE-UHFFFAOYSA-N 347.296 6.151 0 50 EKAA Cc1ccc(-c2cc(C(=O)OCC(C)C)c3cccc(C)c3n2)cc1 76352 WRGAWFMLQPZFQS-UHFFFAOYSA-N 333.431 5.331 0 50 EKAA CCCCc1cc(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 2126283 WLTNETDSWFWDLI-UHFFFAOYSA-N 332.399 5.857 0 50 EKAA biogenic c1ccc(-c2nc(-c3ccc4c(c3)CCC4)[nH]c2-c2ccccc2)cc1 2160216 JCHVLHMYYVUMPV-UHFFFAOYSA-N 336.438 5.899 0 50 EKAA CC1(C)C[C@@H](c2ccc(Cl)cc2Cl)OC(c2ccccc2)=N1 2478845 PRNVJHAXVBAHGG-INIZCTEOSA-N 334.246 5.680 0 50 EKAA C/C=C/c1ccc(OCCCCOc2ccc(Cl)cc2)c(OC)c1 2983612 UEFOSJZLXOGKOQ-ZZXKWVIFSA-N 346.854 5.620 0 50 EKAA Cc1ccc(C)c(NC(=O)N2CCCCC[C@H]2c2cccs2)c1 15866994 DWXXYSIENVDIRS-KRWDZBQOSA-N 328.481 5.514 0 50 EKAA CCCCCc1ccc(N[N+](=O)c2ccc(CCCCC)cc2)cc1 86863103 ZGRSPSBDFCOZNH-UHFFFAOYSA-N 339.503 6.590 0 50 EKAA OC1=C2C(=Nc3ccccc3S[C@H]2c2cccs2)c2ccccc21 100089098 ALQRLVIRRMBLPI-FQEVSTJZSA-N 347.464 5.999 0 50 EKAA CCC(=O)Nc1ccc2nc(SCc3cccc(C)c3)sc2c1 467989 ZTQSMCJJAMYKPG-UHFFFAOYSA-N 342.489 5.246 0 50 EKAA CCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 22108282 LZFXPWWWOGOFFC-UHFFFAOYSA-N 349.217 5.540 0 50 EKAA Cc1cc(C)c(-c2cccc3c(Br)cc(C)nc23)c(C)c1 44124033 RFPDNKIRDJUFPF-UHFFFAOYSA-N 340.264 5.898 0 50 EKAA O=C(c1cc(Cl)c(O)cc1Cl)c1c(Cl)cccc1Cl 395150 DADLHLQKHRNFPA-UHFFFAOYSA-N 336.001 5.237 0 50 EKAA C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1539579 NAVMQTYZDKMPEU-UHFFFAOYSA-N 348.486 6.104 0 50 EKAA aggregator,biogenic,fda Fc1ccccc1OCCCCOc1ccc(Cl)c2cccnc12 2863097 CVCNHKYGRAXNOK-UHFFFAOYSA-N 345.801 5.265 0 50 EKAA COc1ccccc1NC(=O)c1ccccc1Sc1ccccc1 4806819 WIPUAGYSZUIMOW-UHFFFAOYSA-N 335.428 5.099 0 50 EKAA O=C(NCCc1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl 17071748 IMMCPASBZPKCQB-UHFFFAOYSA-N 343.641 5.011 0 50 EKAA O=C(Nc1nc(-c2ccccc2Cl)cs1)Oc1ccccc1 151157 UHZPWIHKUOGDDM-UHFFFAOYSA-N 330.796 5.074 0 50 EKAA Clc1ccc(-c2nnc(C3CCC(c4ccccc4)CC3)o2)cc1 241008 YETMYUJKOPCIRF-UHFFFAOYSA-N 338.838 5.831 0 50 EKAA O=C1C[C@@H](c2c(F)cccc2Cl)Nc2ccc3ccccc3c21 276293 ZLRZGMRJECJFFQ-INIZCTEOSA-N 325.770 5.372 0 50 EKAA CSc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)c1 471574 QIURHBJEEAQVRH-UHFFFAOYSA-N 346.666 5.621 0 50 EKAA CC(C)c1ccc(CNc2ccc(-c3nc4ccccc4o3)cc2)cc1 2814080 UYRUYTLIZXVBGU-UHFFFAOYSA-N 342.442 6.230 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1 17071160 WMMFBBKZYIGUKS-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA CCC[C@H](N[C@@H]1CSC[C@H]1C)c1ccc(Oc2ccccc2)cc1 2325822103 DAPKYTZETSLJCQ-TYCQWZJGSA-N 341.520 5.661 0 50 EKAA O=C(Nc1cccc(Br)c1)c1cccc(Cl)c1Cl 310346 CXDYIBDTYLMZLJ-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Cc1nn2c(Nc3ccccc3)cc(C(C)C)nc2c1-c1ccccc1 2343200 NUODNQDYSBZHNZ-UHFFFAOYSA-N 342.446 5.572 0 50 EKAA COc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)c2ccccc12 4985529 PHGDFUCEZISWMK-UHFFFAOYSA-N 347.433 5.277 0 50 EKAA CCCc1cc(-c2n[nH]c(=S)n2[C@@H](C)c2ccccc2)cs1 6493361 CAWOEGSOGDTGOS-LBPRGKRZSA-N 329.494 5.231 0 50 EKAA C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 13330009 QFMRRTDCHYQERC-VIFPVBQESA-N 343.641 5.530 0 50 EKAA Cc1ccc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)c(F)c1 168739844 VJCXBNILNUGTCW-UHFFFAOYSA-N 340.785 5.102 0 50 EKAA O=C(O)c1c(-c2cccc(Br)c2)coc1C1CCCC1 725245377 CPIDZGQXPXNRNE-UHFFFAOYSA-N 335.197 5.065 0 50 EKAA CCCc1ccc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1 308005 MIFIVQMIVUFVAY-UHFFFAOYSA-N 348.320 5.137 0 50 EKAA Cc1ccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 337806 PUCPYIRFSPNQDF-OAQYLSRUSA-N 347.483 5.145 0 50 EKAA O=C(CCNc1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 446379 ARTFTQUBVMUZFV-UHFFFAOYSA-N 344.241 5.832 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)N1CC=C(c2ccccc2)CC1 608892 JNZZBKHNSTWIRM-UHFFFAOYSA-N 347.245 5.315 0 50 EKAA S=C(N[C@@H]1CC=CCC1)N(Cc1ccccc1)CC1CCCCC1 2770018 WHWRIAWECRATIH-HXUWFJFHSA-N 342.552 5.052 0 50 EKAA COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1 4557306 IVYJDHSKZZIVBQ-UHFFFAOYSA-N 327.383 5.684 0 50 EKAA CCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3Cl)nc12 5013613 NYUWLCQVXKIIAY-ZRDIBKRKSA-N 337.806 5.374 0 50 EKAA CCN(CC)c1ccc(NC(=O)c2cccc3ccccc23)c(C)c1 362061 GWFDGWKYKPIVBU-UHFFFAOYSA-N 332.447 5.247 0 50 EKAA O=C(CCCc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 458496 NQVZEGBMLMIUDH-UHFFFAOYSA-N 345.442 5.227 0 50 EKAA CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1ccccc1Cl 1779803 GNQRPJBXBCHBSH-OUKQBFOZSA-N 341.882 6.239 0 50 EKAA O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 2595158 YCUBGLVHPPFWLG-UHFFFAOYSA-N 335.790 5.421 0 50 EKAA CC[C@H](C)c1ccc(OCCCOc2ccc(C)cc2OC)cc1 2985814 FRZBYDQHUJNUOH-KRWDZBQOSA-N 328.452 5.365 0 50 EKAA COc1ccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3N2)cc1 101988 QVBJIYHYVAUYBK-QFIPXVFZSA-N 328.415 5.373 0 50 EKAA CCn1c2ccccc2c2cc(CNc3ccc(C)c(C)c3)ccc21 2466307 DLVBQZJRPNFFHI-UHFFFAOYSA-N 328.459 6.043 0 50 EKAA Cc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1 3033077 XMNDMAQKWSQVOV-UHFFFAOYSA-N 340.315 5.640 0 50 EKAA O=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 144219828 OFGINXFWJLDDPY-UHFFFAOYSA-N 349.433 6.636 0 50 EKAA C/C(=C\c1ccccc1)[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 1775971281 QHFLEXLCIOVNIO-SFZDQAMXSA-N 337.426 5.731 0 50 EKAA CCOc1ccccc1C=C1c2ccccc2C(=O)c2ccccc21 1568751 PYHQRWGUQOENPZ-UHFFFAOYSA-N 326.395 5.219 0 50 EKAA Cc1cc(C)nc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1 2749077 XGZLWUSSMJJESC-UHFFFAOYSA-N 330.840 5.127 0 50 EKAA O=C1CCCCC[C@@H]1[C@H](Nc1ccc2ccccc2c1)c1ccncc1 5395280 AXDLHUVJQAUSML-JTHBVZDNSA-N 344.458 5.537 0 50 EKAA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257346251 WCRNVUWHLPSYKR-BEYQSUAISA-N 346.555 5.845 0 50 EKAA CC[C@H](c1ccccn1)N(C)C(=O)c1cccc(-c2cccc(C)c2)c1 952989794 XEZLYSOUUZTQTL-JOCHJYFZSA-N 344.458 5.280 0 50 EKAA CCOC(=O)Nc1sc(-c2ccc(F)cc2)nc1-c1ccccc1 1857798544 MNJWACOJFLDYTR-UHFFFAOYSA-N 342.395 5.185 0 50 EKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c(Cl)c1 290584 QVFBYEPCUGZDHM-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA CN(C)c1ccc(NC(=O)c2cccc3ccccc23)c2ccccc12 453115 DBGXBMFQWUWLME-UHFFFAOYSA-N 340.426 5.311 0 50 EKAA O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(F)cc1F 609180 VHDOMJBPLMBGLZ-UHFFFAOYSA-N 340.329 5.401 0 50 EKAA C[C@H](NC(=O)c1cccc2ccccc12)c1ccc2ccccc2c1 1071943 GWZLURYATKHVDU-INIZCTEOSA-N 325.411 5.484 0 50 EKAA O=C(Cc1cccc2ccccc12)N(c1ccccc1)c1ccccc1 1226856 YDVSCVNVXBOOMP-UHFFFAOYSA-N 337.422 5.747 0 50 EKAA CCO/C=C1\C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21 2291551 MEFHIPKZNCNRMU-BENRWUELSA-N 334.202 5.049 0 50 EKAA CC[C@H](C)c1ccccc1OCCCn1cc(C=O)c2ccccc21 2866723 BQFDTFJOQYWINF-KRWDZBQOSA-N 335.447 5.436 0 50 EKAA CCC[C@H]1CC[C@H](C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1 248214289 FQZFDALKYRQQTE-PPFQCUIHSA-N 348.521 7.310 0 50 EKAA CCC1CCC(c2nnc(-c3ccc(Br)cc3)o2)CC1 208889 UOOKGZWJFNKWNA-UHFFFAOYSA-N 335.245 5.183 0 50 EKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc2ccccc2o1 281826 NWTBBWKHCQZPBV-UHFFFAOYSA-N 340.593 5.645 0 50 EKAA Cc1oc2c(C)c3oc(=O)c(Cc4ccccc4)c(C)c3cc2c1C 407883 XZGYARHQFBBUNL-UHFFFAOYSA-N 332.399 5.364 0 50 EKAA biogenic CSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1057775 OPFTXJDNBMMNBJ-UHFFFAOYSA-N 345.773 5.333 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 2745703 CCSAEKNDXRBCEQ-QMMMGPOBSA-N 343.295 5.148 0 50 EKAA O=C(O)c1ccc(-c2ccc(C(=O)O)c3ccccc23)c2ccccc12 117214757 LPJFECYYLUQKSO-UHFFFAOYSA-N 342.350 5.056 0 50 EKAA CC(C)(C)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 118915824 FQADBEOLIYAFDV-WHCNIEAUSA-N 346.555 5.494 0 50 EKAA Cc1ccc(-c2nnc([C@H](C)Nc3ccc(Cl)c(F)c3)o2)cc1 120401868 MNARGJWCOAZXHJ-NSHDSACASA-N 331.778 5.011 0 50 EKAA CC[C@@H](NCc1cccc(CC2CCC2)c1)C1Cc2ccccc2C1 2325841875 IQMWJKSVBYDMJZ-XMMPIXPASA-N 333.519 5.312 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 55458 JSESVNVEAGTASU-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA CCOc1ccc2oc(-c3ccccc3)c(C(=O)N3CCCCC3)c2c1 55502 FKGHSCOYHUWFOZ-UHFFFAOYSA-N 349.430 5.125 0 50 EKAA biogenic CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2ccc(OC)cc21 181994 BCVRTIZCYCYQRZ-GDNBJRDFSA-N 328.501 5.367 0 50 EKAA C(=C/c1nc2ccccc2nc1/C=C/c1ccccc1)\c1ccccc1 4183070 FCJOKCQAZDQZFF-YTEMWHBBSA-N 334.422 5.971 0 50 EKAA CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccccc1Cl 16672101 WYDZCEKGZXEYLB-ZZEZOPTASA-N 328.868 5.431 0 50 EKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1 253532902 FEWMLRARKGRCCE-GARHLSDISA-N 338.457 6.984 0 50 EKAA in-vitro Fc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1-n1ccnc1 2325759400 HFMZHCNTXLKAQN-UHFFFAOYSA-N 343.405 5.291 0 50 EKAA CC[C@H](Nc1cn(C)nc1C1CC1)c1ccc(Oc2ccccc2)cc1 2325822133 FPWAAMPBYRDTSL-FQEVSTJZSA-N 347.462 5.653 0 50 EKAA Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 175488 JCEJPXGLOYMUCS-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA Cc1cc(OC(=O)Nc2c(C)cccc2C)cc(C)c1Br 397707 AQSMUUGZBDNTQZ-UHFFFAOYSA-N 348.240 5.294 0 50 EKAA COc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 442439 GYICFNXDEQEEFQ-FQEVSTJZSA-N 349.455 5.167 0 50 EKAA Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1NC(=O)/C=C/c1ccccc1 1776181 HJEKKGZVYTVDRJ-BUHFOSPRSA-N 349.518 6.242 0 50 EKAA CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccc(F)cc1 2204400 KLGDTKLFPKLSRR-QGZVFWFLSA-N 337.331 5.203 0 50 EKAA Oc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 3904531 ZUYIMYFAXXFUHD-UHFFFAOYSA-N 331.802 5.928 0 50 EKAA CC(C)(C)C1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 4981366 AJANOVIIUBOMPG-UHFFFAOYSA-N 334.935 5.067 0 50 EKAA COc1ccc(OC)c(C[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1 16608744 YNTBOVIYSGWPEU-FJTGNWTPSA-N 342.523 6.045 0 50 EKAA C(=C1\NC2(CCCCC2)Cc2ccccc21)\c1ccc2ccccc2n1 100060171 IXWRVINMECFFOO-KQWNVCNZSA-N 340.470 5.582 0 50 EKAA C1=Cc2ccc3ccc4c(c3c2)C2(C=Cc3ccc5ccc1cc5c32)C=C4 1501070604 HXTCSJGNLGPEAW-UHFFFAOYSA-N 340.425 6.817 0 50 EKAA COCCCn1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cn1 1875339977 FZPIEBLNNWXROR-UHFFFAOYSA-N 342.826 5.032 0 50 EKAA Cc1cc(-c2nc3ccccc3o2)ccc1Nc1ccc(CCO)cc1 2356153409 FSCZHVOIYLBAQL-UHFFFAOYSA-N 344.414 5.082 0 50 EKAA CC(C)CC(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 306179 MNTPVHJXXQZRIY-UHFFFAOYSA-N 328.799 5.133 0 50 EKAA CC[C@H](C)c1ccccc1NC(=O)COc1ccc(Cl)cc1C 463491 JFGMYZCPDLZARW-ZDUSSCGKSA-N 331.843 5.179 0 50 EKAA COc1cc2c(cc1OC)C(c1ccccc1)(c1ccccc1)C[C@@H]2C 5376008 QRFSOICANMXOAU-KRWDZBQOSA-N 344.454 5.545 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cn3)sc2c1 13746883 KSUSTZDSZZQYOK-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA CC(C)[C@H](/C=C1\CCCC[C@H]1c1ccccc1)C(=O)OC(C)(C)C 216548987 MBAVADPPLZYFCX-SEHLHDJSSA-N 328.496 5.885 0 50 EKAA CC(C)c1ccc2oc(Cc3nc4cc(C(C)C)ccc4o3)nc2c1 226249523 JGFCPHAAAUIVOC-UHFFFAOYSA-N 334.419 5.807 0 50 EKAA C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 91328 SSSGJHLVROVTDO-GWCFXTLKSA-N 338.234 5.281 0 50 EKAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 375509 PZQNQUNVGABQDU-OAQYLSRUSA-N 347.414 5.275 0 50 EKAA CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2-c2ccccc2)CO1 521087 NTGGLIXMZIOCFU-UHFFFAOYSA-N 348.471 5.120 0 50 EKAA CCCCc1cc(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 2998574 FRPNLKVHSDZACZ-UHFFFAOYSA-N 342.822 5.368 0 50 EKAA Cc1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)sc1C 13744441 IXEKUMGSQFPVRJ-UHFFFAOYSA-N 340.832 5.019 0 50 EKAA CCOc1ccccc1NC(=O)C1[C@H]2CCC=CCCC=CCC[C@H]12 725447175 MAXNMPDTIHONSU-GAOSQQNJSA-N 339.479 5.353 0 50 EKAA Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1C 218145 CGPOPEFAVJUOPY-UHFFFAOYSA-N 344.458 5.145 0 50 EKAA Cc1ccccc1CSCC(=O)Nc1ccccc1-c1ccccc1 470273 PPQBFGLPMYIRAT-UHFFFAOYSA-N 347.483 5.534 0 50 EKAA Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccco1 4554525 RNAYSAINRCMFJP-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA CC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 13329013 UOYCUJAHFPREIN-ITOSSNOYSA-N 346.902 5.059 0 50 EKAA C=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 136719517 FMKDQHLJKQOFQV-UHFFFAOYSA-N 336.438 5.366 0 50 EKAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc3cccnc23)o1 170634629 BHLACXSKMRURFL-GOSISDBHSA-N 349.434 5.285 0 50 EKAA CCC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccc(Oc2ccccc2)cc1 2325822117 DZAYNALMBBVIFU-VGOFRKELSA-N 334.463 5.999 0 50 EKAA CC(=O)c1cccc(NC(=O)N(c2ccccc2)c2ccccc2)c1 81955 MPWZHDSLACGHEY-UHFFFAOYSA-N 330.387 5.259 0 50 EKAA CC[C@@H](C)c1ccc(NC(=O)c2ccccc2Br)cc1 101495 APVWRNRBDLNDKE-GFCCVEGCSA-N 332.241 5.215 0 50 EKAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 462119 OKDMPBDDQKDNIN-UHFFFAOYSA-N 339.822 5.289 0 50 EKAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1Cc1ccccc1 4542310 WPAAVQMINRFRGN-UHFFFAOYSA-N 336.822 5.575 0 50 EKAA Cc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1 5032454 QDKLNZWPGOFLHM-HSZRJFAPSA-N 344.502 5.541 0 50 EKAA Cc1ccccc1-c1nc(CSc2nc3ccccc3[nH]2)cs1 17070945 ICZYAKWWQKETLN-UHFFFAOYSA-N 337.473 5.287 0 50 EKAA CCC[C@H](NC(=O)c1cccc(OC2CCCCC2)c1)C(C)(C)C 1875357534 KTAFIMNEALKKHQ-IBGZPJMESA-N 331.500 5.343 0 50 EKAA CCOC(=O)c1ccc(COc2ccc(-c3ccc(C)cc3)cc2)cc1 1875363404 ZOHQWUVDGCYUTE-UHFFFAOYSA-N 346.426 5.418 0 50 EKAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1O 303213 ZDKXOYCUBUCMMV-UHFFFAOYSA-N 339.778 5.090 0 50 EKAA CSc1ccc(NC(=O)Oc2cc(Cl)cc(Cl)c2)cc1 398376 VEMJMELCWCYKAH-UHFFFAOYSA-N 328.220 5.326 0 50 EKAA Cc1cc(C)cc(COc2cc3oc(=O)c(C)c(C)c3cc2Cl)c1 608930 IREVNTKABSIPPK-UHFFFAOYSA-N 342.822 5.259 0 50 EKAA O=C(CSc1nc2ccccc2s1)c1cc2ccccc2o1 1440536 UMIVCGRBXJZBCK-UHFFFAOYSA-N 325.414 5.018 0 50 EKAA Cc1c(NC(=O)c2cccs2)cccc1-c1nc2ccccc2o1 4868936 TURMHNZUSAUFGV-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA BrC12c3ccccc3C(c3ccccc31)c1ccccc12 54960020 HSROKCVTEYMWHO-UHFFFAOYSA-N 333.228 5.180 0 50 EKAA in-vitro CCO[C@]12c3ccccc3O[C@@H](c3ccccc3)[C@]1(C)C2(Cl)Cl 100326303 LTTXHCFFVPHQAN-OKZBNKHCSA-N 349.257 5.246 0 50 EKAA O=C(Nc1cccc(Cl)c1)[C@@H]1CC1(c1ccccc1)c1ccccc1 286175 SXMYKDQYYUNKCX-FQEVSTJZSA-N 347.845 5.285 0 50 EKAA CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 363548 LCZCCDNRNYIAFH-UHFFFAOYSA-N 343.732 5.010 0 50 EKAA Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(F)cc1 464220 YVVGNUZUUKWDFZ-UHFFFAOYSA-N 346.814 5.163 0 50 EKAA Oc1ccccc1C1=Nc2ccccc2S[C@@H](c2ccccc2)C1 481223 IRHQXGDLYPUZSO-OAQYLSRUSA-N 331.440 5.750 0 50 EKAA COc1ccc(Cl)cc1N(Cc1ccccc1)Cc1ccccc1 2167438 VFRNCSVIUUBYDH-UHFFFAOYSA-N 337.850 5.555 0 50 EKAA CCCCc1ccccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2C 2761393 QMSRYHUJVDSJTH-UHFFFAOYSA-N 334.463 5.390 0 50 EKAA CCCCc1ccc(NC(=O)CCc2cccc(OC)c2Cl)cc1 4542810 UMQYBVDQAZGOID-UHFFFAOYSA-N 345.870 5.263 0 50 EKAA C1=C[C@H]([C@H]2C=CCCCCCCCCC2)CCCCCCCCC1 257345520 ZVQLJQKZIPBSRE-ZEQRLZLVSA-N 330.600 8.380 0 50 EKAA COc1ccccc1-c1nnc([C@@H](C)Oc2ccc3ccccc3c2)o1 1775996384 CRFXBISXJCCURA-CQSZACIVSA-N 346.386 5.038 0 50 EKAA CC1=CCC[C@H](C)[C@@H]1CNc1ccccc1CN1CCc2ccccc21 2325817581 CUILKTCNRVKQLF-SIKLNZKXSA-N 346.518 5.654 0 50 EKAA Oc1ccc(Cl)nc1-c1ccc(-c2ccccc2C(F)(F)F)o1 2325839445 UKWYHJMFGVPOQW-UHFFFAOYSA-N 339.700 5.386 0 50 EKAA CCc1cc(=O)oc2cc(C)cc(OCc3c(F)cccc3Cl)c12 1164197 FBTXPNRRCMRIKZ-UHFFFAOYSA-N 346.785 5.035 0 50 EKAA Cc1ccc(C)c(N2C(=N)S/C(=C\c3ccc(Cl)cc3)C2=O)c1 4642159 CQHVSKMNYBSQDQ-UDIJICLVSA-N 342.851 5.013 0 50 EKAA C[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H](C)c1ccccc1 4760485 IXEDUCBVEKEPOB-OALUTQOASA-N 329.443 5.651 0 50 EKAA CC(C)c1cc(C(=O)NCC[C@@H]2CCCC2(C)C)c(O)c(C(C)C)c1 1875357308 BALDLUHBPOWHFK-KRWDZBQOSA-N 345.527 5.585 0 50 EKAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 475625 ADXHINMRKYKSDW-SECBINFHSA-N 344.625 5.053 0 50 EKAA Cc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1Cl 4542363 CMEMCWLJYPVWSY-UHFFFAOYSA-N 344.886 6.539 0 50 EKAA CCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3Cl)=NN12 12490616 KCGPWVNJORGOHD-MJGOQNOKSA-N 326.827 5.010 0 50 EKAA CC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\CCC(=O)O 35979228 YYZNJWZRJUGQCW-VABGYXHOSA-N 344.495 5.760 0 50 EKAA in-vitro CCCCn1c(O)c(C(=O)c2cccc3ccccc23)c2ccccc21 64857687 HLQUZHWENOKGOT-UHFFFAOYSA-N 343.426 5.531 0 50 EKAA in-vitro CCC[C@H](N[C@@H]1COC[C@H]1CC)c1ccc(Oc2ccccc2)cc1 2325822370 TYRWUUALNYDGPX-VOQZNFBZSA-N 339.479 5.335 0 50 EKAA CC1(C)C[C@@H](CNc2ccc(Oc3ccc(Cl)cc3)cc2)CCO1 2325864456 PCUQODCBVPZAMO-HNNXBMFYSA-N 345.870 5.749 0 50 EKAA CCCCc1cc(=O)oc2cc(OC/C=C/c3ccccc3)ccc12 3220007 JMOMFFXCPUKKBK-JXMROGBWSA-N 334.415 5.228 0 50 EKAA O=C(Nc1cccc(Cl)c1)c1c2c(nc3ccccc13)CCCC2 4542246 XNIIUQBYNSVWCO-UHFFFAOYSA-N 336.822 5.019 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 4631045 UHRQIUPGDWCVHI-UHFFFAOYSA-N 342.442 5.684 0 50 EKAA Cc1cccc(C)c1NC(=O)C1c2ccccc2Oc2ccccc21 117236 RATWRDQFBBQYCH-UHFFFAOYSA-N 329.399 5.180 0 50 EKAA aggregator Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2C(=O)c1ccco1 201477 JLROJHWRDIXFRX-WMZOPIPTSA-N 331.415 5.159 0 50 EKAA Cc1cc(C)cc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 2986265 COLHMFIKELWDGI-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA Cc1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1C 3068177 ZLTWUOKTWVCCKI-OAQYLSRUSA-N 341.454 5.248 0 50 EKAA CSc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 5068892 ANMXSXYLJQIFID-UHFFFAOYSA-N 347.483 5.251 0 50 EKAA CC(=O)CCc1oc2ccc(Br)cc2c1-c1ccccc1 12364098 PZTFAKWBIHHXII-UHFFFAOYSA-N 343.220 5.384 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCF 13782506 DOGHEWWVBBVYEY-DOFZRALJSA-N 349.534 6.218 0 50 EKAA in-vitro CCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccs1 15867065 IRYIDAVXVSLPTO-QGZVFWFLSA-N 328.481 5.460 0 50 EKAA Oc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 137252552 ZSZOSPYBNNWIIN-UHFFFAOYSA-N 348.445 6.400 0 50 EKAA CC(C)(C)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1ccc(F)cc1 1875306766 OWTBNCUNSKHGOP-MOPGFXCFSA-N 349.877 5.280 0 50 EKAA Clc1ccc(-c2csc(N3CC[C@H](c4ccccc4)C3)n2)cc1 82561 RJJPDKWWEKHSDV-INIZCTEOSA-N 340.879 5.457 0 50 EKAA Clc1cccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 360613 FQIZHYMFVXISHO-UHFFFAOYSA-N 333.822 5.495 0 50 EKAA Cc1cc(Nc2ccccc2)n2ncc(-c3ccccc3Cl)c2n1 23114940 HXCYEPWIWUWUCH-UHFFFAOYSA-N 334.810 5.102 0 50 EKAA O=C(Nc1cc(Cl)ccc1Cl)Oc1cccc2cccnc12 396279 AQGJGZJPBUIPNR-UHFFFAOYSA-N 333.174 5.153 0 50 EKAA Clc1c(Cl)c(Cl)c(-c2ccccn2)c(Cl)c1Cl 2173370 DMHQLNXOGRXRGQ-UHFFFAOYSA-N 327.425 6.016 0 50 EKAA CCCCc1cc(=O)oc2c(C)c(OCc3ccccc3F)ccc12 2824269 GNVYGLSEMLEWAT-UHFFFAOYSA-N 340.394 5.162 0 50 EKAA CCOc1ccccc1OCCCCOc1ccc(Cl)c(C)c1 2984935 ODWBYJWXQKCSGF-UHFFFAOYSA-N 334.843 5.285 0 50 EKAA COc1ccc(C)cc1NC(=O)c1ccc(-c2ccccc2Cl)o1 4542039 FFGAVXDBOWIWAV-UHFFFAOYSA-N 341.794 5.169 0 50 EKAA CC(C)(C)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 257346367 YUQRKSFLRITHTG-LODXKARKSA-N 346.555 5.782 0 50 EKAA Cc1cc(-c2csc(Nc3ccc(F)cc3)n2)c(C)c(C)c1C 2325720327 IVUQYPSWOZEIGF-UHFFFAOYSA-N 326.440 5.926 0 50 EKAA CC(C)(c1ccc(O)cc1)c1cccc(C(C)(C)c2ccc(O)cc2)c1 2504743 PVFQHGDIOXNKIC-UHFFFAOYSA-N 346.470 5.750 0 50 EKAA in-vitro C[C@@H](CCc1ccc(O)cc1)N[C@@H](Cc1ccccc1)c1ccccc1 5721661 TZRUIISVMVCADI-CYFREDJKSA-N 345.486 5.287 0 50 EKAA c1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 12377005 HAFRCFZWBMTRDZ-DQRAZIAOSA-N 328.440 5.438 0 50 EKAA CCc1ccc(-c2cc(C(F)F)c3c(C)nn(C(C)C)c3n2)cc1 20604131 VXKUHIYSFDJWDI-UHFFFAOYSA-N 329.394 5.488 0 50 EKAA Cc1noc(C2CC2)c1NC(=O)CC(c1ccccc1)c1ccccc1 156558985 ZCQJLWJCSSDNCO-UHFFFAOYSA-N 346.430 5.021 0 50 EKAA Clc1ccc(Oc2ccc(NC[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 2325863975 BSVCNPIPTNKPHW-JYJNAYRXSA-N 327.855 5.980 0 50 EKAA Cc1ccc(C)c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 45926 KJDDBDVNVUWCIT-UHFFFAOYSA-N 347.414 5.113 0 50 EKAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2ccccc2n1 236246 CEBIJABKLATMTL-UHFFFAOYSA-N 336.394 5.058 0 50 EKAA Cc1cc2c(o1)-c1c(oc3ccccc13)CC[C@]2(C)c1ccccc1 3846782 HXRFFUZGBFJHBL-HSZRJFAPSA-N 328.411 6.253 0 50 EKAA biogenic CC(C)C[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN12 25582772 LCHSWDMQWYVJNC-QAPCUYQASA-N 346.883 5.317 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(Nc2ccccc2)cc1 65697 BUFQJCHFWVZPLK-UHFFFAOYSA-N 337.810 5.728 0 50 EKAA Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)cc1 301181 AHMJTKNFIWPRRV-UHFFFAOYSA-N 337.369 5.120 0 50 EKAA CC1CCN(C(=S)c2cn(Cc3ccccc3)c3ccccc23)CC1 303040 PJLNQTSCZDOOFU-UHFFFAOYSA-N 348.515 5.097 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2ccccc2c1 360128 AWKBTABCMXZMQE-UHFFFAOYSA-N 331.202 5.791 0 50 EKAA COc1ccc(-c2ccccc2)cc1NCc1cc(F)ccc1F 4980336 QIKTUPLQVYULRX-UHFFFAOYSA-N 325.358 5.253 0 50 EKAA CC(C)C[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN12 5908401 LCHSWDMQWYVJNC-YJBOKZPZSA-N 346.883 5.317 0 50 EKAA Nc1cccc(Oc2cc(Cl)cc(Oc3cccc(N)c3)c2)c1 34080177 PVAFXZHYHVOLDG-UHFFFAOYSA-N 326.783 5.089 0 50 EKAA Clc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1 514253141 JWWMUTCXVNBWGP-UHFFFAOYSA-N 342.829 6.131 0 50 EKAA COc1ccc(C2=C(C)[C@@H](c3cccs3)c3ccccc3O2)cc1 80248 CNBXPHDKSPFFMR-HXUWFJFHSA-N 334.440 5.712 0 50 EKAA COc1cccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2C)c1 285373 KAIKUSKBEPDOKL-UHFFFAOYSA-N 332.399 5.198 0 50 EKAA Cc1c(C)c2ccc(OCc3c(F)cccc3Cl)c(C)c2oc1=O 408781 FZPMHGWPTWNTPZ-UHFFFAOYSA-N 346.785 5.090 0 50 EKAA CCCc1cc(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12 454620 QMHXLELFUWXZNB-UHFFFAOYSA-N 342.822 5.286 0 50 EKAA CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 619264 HUKYIUWVWAQORZ-OAHLLOKOSA-N 339.460 5.154 0 50 EKAA Clc1cccc(Cl)c1OCCCOc1cccc2cccnc12 2983646 UOICLBDKBCRPCZ-UHFFFAOYSA-N 348.229 5.390 0 50 EKAA Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1 3897005 KIFDSGGWDIVQGN-UHFFFAOYSA-N 348.449 5.214 0 50 EKAA aggregator,in-vitro O=C(Nc1ccc(-c2ccccc2)cc1)c1scc2c1CCCC2 54412 JFTHYSDJUQMKRF-UHFFFAOYSA-N 333.456 5.546 0 50 EKAA CC[C@H](C)C(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 169758 MSPNTABSPLJOBU-JTQLQIEISA-N 349.546 5.834 0 50 EKAA O=C1C[C@H](c2cccc(Cl)c2Cl)c2c(ccc3ccccc23)N1 180902 DMZFNXYEODXZBV-CQSZACIVSA-N 342.225 5.621 0 50 EKAA Cc1cc(C)c2nc(-c3ccc(Cl)cc3)c(C)c(C(=O)O)c2c1 6255309 VKSAKVHXUBBSFV-UHFFFAOYSA-N 325.795 5.179 0 50 EKAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)cc1 18175848 PCDZKIMSRIFHFJ-GOSISDBHSA-N 344.842 5.026 0 50 EKAA CCCCCC[C@@H](C)OC(=O)c1ccccc1C(=O)OCCCC 71769647 RLAUYBGFFNIGJH-MRXNPFEDSA-N 334.456 5.159 0 50 EKAA CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 111278 APSNSJLBIGECBQ-CYBMUJFWSA-N 333.834 5.420 0 50 EKAA Clc1ccc2c(Cl)c(-c3nnc(-c4ccccc4)o3)sc2c1 319783 OWQBCWZQPJMFQL-UHFFFAOYSA-N 347.226 5.925 0 50 EKAA O=C(CSCc1cccc(Cl)c1)Nc1cccc2ccccc12 443477 SGMVUVLMPVXKQN-UHFFFAOYSA-N 341.863 5.365 0 50 EKAA CCCCOc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 1775054 LBUAKUABJMHLNB-UHFFFAOYSA-N 338.403 5.327 0 50 EKAA Cc1ccc(C(=O)CCNc2ccc(Oc3ccccc3)cc2)cc1 2522069 PNEOGJGFYMZWQM-UHFFFAOYSA-N 331.415 5.472 0 50 EKAA Cc1cc(C)c2nc(-c3ccc4ccccc4c3)cc(C(=O)O)c2c1 2525914 HJMULXBIEXBTOY-UHFFFAOYSA-N 327.383 5.370 0 50 EKAA Nc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 4245339 CHYFZZHWTLATIY-UHFFFAOYSA-N 328.440 5.726 0 50 EKAA Cc1cccc(Cl)c1NC(=O)Nc1cccc(C(F)(F)F)c1 4794825 CDKKTRCXQMHAQP-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA CCCCc1c([C@H](O)c2ccccc2)cccc1[C@H](O)c1ccccc1 4950759 UMWPEIHRUAOGOI-DNQXCXABSA-N 346.470 5.193 0 50 EKAA C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 13320427 YFSQVAAUPYOTAX-SNVBAGLBSA-N 342.748 5.242 0 50 EKAA Clc1ccc(COc2ccccc2Br)c(Cl)c1 20020401 CSBSSYORAADEPO-UHFFFAOYSA-N 332.024 5.335 0 50 EKAA in-vitro CC(=O)c1cccc2c1[C@H]1c3ccccc3[C@H]2c2c(C(C)=O)cccc21 101019523 SQLOJZDKABMFSF-PSWAGMNNSA-N 338.406 5.079 0 50 EKAA Cc1ccccc1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 463137 NLKOVVUSUSGDRH-UHFFFAOYSA-N 337.806 5.693 0 50 EKAA O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(F)cc1 581768 FOVPKRIHDUYAPP-UHFFFAOYSA-N 341.769 5.524 0 50 EKAA COc1cccc2ccc(/C=C/c3ccc(Br)cc3)nc12 4362120 LXWQVDJPHJEDSS-YRNVUSSQSA-N 340.220 5.176 0 50 EKAA CCCOc1ccc(-c2n[nH]cc2Oc2ccc(Cl)cc2)c(O)c1 4643475 GVWAFUZEQGRDRL-UHFFFAOYSA-N 344.798 5.017 0 50 EKAA CC/C=C\C/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCC(=O)O 35965875 LTERDCBCHFKFRI-OUKOMXQNSA-N 344.495 5.520 0 50 EKAA in-vitro COc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1 274090 ZEXOYEKJRIIUNG-UHFFFAOYSA-N 327.387 5.049 0 50 EKAA CCc1cc(=O)oc2c(C)c(OCc3ccc(F)cc3Cl)ccc12 317042 VSLCFCDMGZTGBD-UHFFFAOYSA-N 346.785 5.035 0 50 EKAA Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 395304 UHJPHZVOSRTEMM-UHFFFAOYSA-N 330.431 5.229 0 50 EKAA O=C(Nc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 471657 SIAYSARVLOXCIK-UHFFFAOYSA-N 337.806 5.171 0 50 EKAA FC(F)(F)c1ccc2nc(C(Cl)(Cl)Cl)cc(Cl)c2c1 2564342 PWFMSBSBMGUFFI-UHFFFAOYSA-N 348.966 5.734 0 50 EKAA COc1ccccc1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 4542081 QMAAREOPJRSFCX-VAWYXSNFSA-N 335.428 5.076 0 50 EKAA CC(C)(C)c1cc(C(=O)C2CCCCCC2)cc(C(C)(C)C)c1O 45067750 FDMPXCUAJOJZNI-UHFFFAOYSA-N 330.512 6.140 0 50 EKAA C/C=C/[Sn](CCCC)(CCCC)CCCC 169747036 FJXYMVBFBYAWDR-UHFFFAOYSA-N 331.132 5.951 0 50 EKAA CCCCCC/C(=C\c1ccccc1)CN1C[C@H](CO)c2ccccc21 2325817671 KCVNKZOMQSMNLD-QEQIRTOISA-N 349.518 5.637 0 50 EKAA CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(C)c(C)c1 450930 DMCWZFNPDWJXGM-UHFFFAOYSA-N 340.448 5.225 0 50 EKAA O=C(CSc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 452012 HYLITQXBUDLMMU-UHFFFAOYSA-N 345.773 5.090 0 50 EKAA Fc1ccccc1NC(=S)Nc1ccccc1Oc1ccccc1 618555 WBMHJPVBRGWBKU-UHFFFAOYSA-N 338.407 5.427 0 50 EKAA C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc2c(c1)CCCC2 2848239 OMQFCSLLOQABCG-QGZVFWFLSA-N 343.470 5.139 0 50 EKAA FC(F)(F)c1ccc(Nc2nccc(-c3cccc(Cl)c3)n2)cc1 3817087 XTKUZTBZRIJTFR-UHFFFAOYSA-N 349.743 5.559 0 50 EKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 4309998 ZHFHCBMXBKQWTN-RBBKRZOGSA-N 344.389 5.068 0 50 EKAA O=C(Nc1ccccc1C(F)(F)F)c1c(Cl)cccc1Cl 5771840 OELHJCZZQVCPJQ-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA CCc1nn2c(-c3ccsc3)ccnc2c1-c1ccc(Cl)cc1 67630519 YSEGKDFKSYFFGM-UHFFFAOYSA-N 339.851 5.341 0 50 EKAA Fc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1 204042143 SFUNDIMWQUSCGD-UHFFFAOYSA-N 340.195 5.685 0 50 EKAA CC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 68356 PKOPSSCTCHIJHC-UHFFFAOYSA-N 329.808 5.010 0 50 EKAA CCCCC(=O)Nc1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 2826778 YCWCAFJTYJSJDJ-UHFFFAOYSA-N 344.842 5.029 0 50 EKAA Cc1c(C)c(C)c(C(=O)Nc2c(Cl)cccc2Cl)c(C)c1C 2901635 PUESMGAZHLQNTP-UHFFFAOYSA-N 336.262 5.788 0 50 EKAA COc1ccccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 4867998 RHFMDGNSWSFPDY-UHFFFAOYSA-N 345.757 5.000 0 50 EKAA Cc1ccccc1-c1nc(CN(C)[C@@H](C)c2cccs2)c(C)o1 12052748 JYXVVXQYGPTZSC-AWEZNQCLSA-N 326.465 5.213 0 50 EKAA CC[C@H](NC(=O)Nc1ccccc1Br)c1ccc(C)cc1 13745344 ZGPNIWCKZIVYIM-HNNXBMFYSA-N 347.256 5.030 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\CCC(=O)O 102185975 OHYKIJBTVXMLKX-WQZYYXEBSA-N 344.495 5.760 0 50 EKAA in-vitro S=C(Nc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 54643 UZCVJOOOXURSFD-UHFFFAOYSA-N 331.655 5.456 0 50 EKAA Clc1ccc(Sc2c(-c3ccccc3)nc3ccccn23)cc1 86569 KRTIFEYECZHTLC-UHFFFAOYSA-N 336.847 5.806 0 50 EKAA O=C(Nc1ccc(F)cc1)c1sc2cc(Cl)ccc2c1Cl 251150 DWIZUTNDQFWQHM-UHFFFAOYSA-N 340.206 5.600 0 50 EKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc2ccccc12 449344 BKMJSFQBYOYFMW-UHFFFAOYSA-N 338.410 5.836 0 50 EKAA CCOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)cs1 454672 SOXSETHSNIPZGW-UHFFFAOYSA-N 330.840 5.606 0 50 EKAA O=C(Nc1cccc2ccccc12)O[C@H](c1ccccc1)C(F)(F)F 5775101 WOXMQTNHSRLBOB-QGZVFWFLSA-N 345.320 5.692 0 50 EKAA CCCC[C@@H](CC)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 25756957 CEEDFYRUPAWDOU-QWHCGFSZSA-N 347.282 5.520 0 50 EKAA in-vitro CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 242649018 RRKRBRVTKIRLHH-SHTZXODSSA-N 332.409 6.845 0 50 EKAA C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1Cl 283627 NDZKDDWZBKEKNI-CQSZACIVSA-N 328.843 5.173 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 1741516 OOQFZFJBRDBCGI-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 2493783 GPNDWUQZPYRNFW-LBPRGKRZSA-N 332.241 5.215 0 50 EKAA CCOc1ccccc1OCCOc1ccc(C)cc1C(C)(C)C 2985050 OMACFHYFCAOJLA-UHFFFAOYSA-N 328.452 5.149 0 50 EKAA C[C@@H](NC1CC(c2ccccc2)C1)c1ccc(Cl)c2ccccc12 2325870073 IIYOCAYLMPZDQY-FAEJEUNOSA-N 335.878 6.090 0 50 EKAA O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccccc1 482315 WFWLMANORIEIJW-UHFFFAOYSA-N 339.394 5.884 0 50 EKAA CCCCOc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1773883 IBBFJNXKTJVECR-UHFFFAOYSA-N 338.403 5.381 0 50 EKAA O=C(Sc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 2027792 MVZBOKGVZQAIPD-UHFFFAOYSA-N 338.859 5.791 0 50 EKAA CCCCCn1c(C)[n+](CCCC)c2cc(Cl)c(Cl)cc21 2895884 SWHLOWSYCFVREJ-UHFFFAOYSA-N 328.307 5.534 0 50 EKAA CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 118915822 FQADBEOLIYAFDV-HKZQYKGFSA-N 346.555 5.494 0 50 EKAA C[C@H](NCCc1ccc(Cl)s1)[C@@H](C)c1cc2ccccc2s1 1875343897 XVKHZKCCFRIXIS-OLZOCXBDSA-N 349.952 5.941 0 50 EKAA CC[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 1201012 MPHNSHSPOFYLON-INIZCTEOSA-N 340.423 5.082 0 50 EKAA Cc1cc2c(cc1C1(C)OCC(C)(C)CO1)C(C)(C)[C@@H](C)C2(C)C 3122371 CCTHESKUQRGGSN-HNNXBMFYSA-N 330.512 5.446 0 50 EKAA CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 4133117 BWRCCWGTNWSOQM-HKUYNNGSSA-N 326.827 5.010 0 50 EKAA Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccco1 11880122 QSUQBSMNAVBQGI-QFIPXVFZSA-N 346.405 5.048 0 50 EKAA CCOC(=O)/C=C1/CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257345716 GYQSKOGOCVOEJI-GVBIAHDZSA-N 344.539 5.909 0 50 EKAA Cc1ccc(Oc2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 326680560 MXNRBWKYIKHNQG-UHFFFAOYSA-N 334.371 5.065 0 50 EKAA Cc1cc(C)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 48260 YWHRBZUZEBOASP-UHFFFAOYSA-N 345.442 5.443 0 50 EKAA CC(C)(C)Oc1ncc(-c2csc(Cl)c2)c(OC(C)(C)C)n1 334535 YHUAXZLSPSROAR-UHFFFAOYSA-N 340.876 5.213 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Oc1cccc2c(Cl)ccnc12 398051 IQCYDQOJJAYOLK-UHFFFAOYSA-N 347.201 5.461 0 50 EKAA Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1C 5046859 ZURXMLKMHFWVLP-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA CN(Cc1c(Cl)cccc1Cl)Cc1cccc2ccccc12 19911863 PEDOBAMKKNAKNJ-UHFFFAOYSA-N 330.258 5.779 0 50 EKAA CC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCC(=O)O 35979234 YYZNJWZRJUGQCW-IJVXPCIKSA-N 344.495 5.760 0 50 EKAA in-vitro Cc1nnc(-c2ccccc2-c2ccc([C@H](C)N3CCCCC3)cc2)o1 65424558 WTDXJBOKYCULOH-INIZCTEOSA-N 347.462 5.259 0 50 EKAA S=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 191754 PPRFKFURQYWPRC-UHFFFAOYSA-N 332.472 5.086 0 50 EKAA Cc1cc(Cl)c(Cl)cc1NC(=O)Nc1ccccc1Cl 398831 NFRKEDAJQXTZRV-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA COc1ccccc1OCCCOc1c(Cl)cc(C)cc1Cl 2985249 XSDOKLPXTHIBOK-UHFFFAOYSA-N 341.234 5.158 0 50 EKAA CC(C)c1cccc(OCCCCOc2cccc3cccnc23)c1 2987090 OSPFOMBCLPTULT-UHFFFAOYSA-N 335.447 5.596 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)c1sc2ccccc2c1Cl 310650 LUZXIVBQTVHTNZ-UHFFFAOYSA-N 336.243 5.769 0 50 EKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)s1 371633 DLTQYCVNMGBFMX-UHFFFAOYSA-N 329.808 5.446 0 50 EKAA Cc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 406286 TXUFOGJYTKEIQG-OAQYLSRUSA-N 330.431 5.101 0 50 EKAA Nc1c(-c2nc3ccccc3s2)sc(=S)n1-c1ccccc1 463134 IFQVNAUKVQSMPU-UHFFFAOYSA-N 341.486 5.127 0 50 EKAA c1ccc(-c2oc3ncnc(N4CCCC4)c3c2-c2ccccc2)cc1 572944 BTLMWSGBLYWBMQ-UHFFFAOYSA-N 341.414 5.157 0 50 EKAA Cc1cc(C(=O)CSc2cccc(C(F)(F)F)c2)cc(C)c1O 1397543 WIUQVMXOTMPBFG-UHFFFAOYSA-N 340.366 5.003 0 50 EKAA CCCCOc1ccc(Nc2ncnc3sc(C)c(C)c23)cc1 1776855 JAXSAZYLHYTGMY-UHFFFAOYSA-N 327.453 5.231 0 50 EKAA CC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 35900044 CSXQXWHAGLIFIH-TUUBNYLKSA-N 344.495 5.520 0 50 EKAA in-vitro CC(C)(C)OC(=O)Nc1cc2ccc(Br)cc2s1 307197852 SODWYTOTCPXUTA-UHFFFAOYSA-N 328.231 5.011 0 50 EKAA CSc1cccc(CN(C(=O)c2csc(C(C)C)n2)C(C)C)c1 1506417055 GDCLDVCFQNCUOR-UHFFFAOYSA-N 348.537 5.039 0 50 EKAA Cc1c(Cl)cccc1NC(=O)CSCc1ccc(Cl)cc1 59385 FHWWUVOWXCIBBA-UHFFFAOYSA-N 340.275 5.174 0 50 EKAA O=C(Oc1cccc2cccnc12)c1ccc(C2CCCCC2)cc1 353882 XQUWXZKHWSUHGY-UHFFFAOYSA-N 331.415 5.502 0 50 EKAA CCCCc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2172462 FRKYUCGJDMBKHC-UHFFFAOYSA-N 336.357 5.692 0 50 EKAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)cc1 35561786 VLBVIIVOQUSDMK-LJQANCHMSA-N 344.405 5.422 0 50 EKAA C[C@H]1CC2=C(C[C@@H]1COC(=O)Nc1ccccc1)C(C)(C)CCC2 210881 KAQLIWBOUVGKDQ-DOTOQJQBSA-N 327.468 5.788 0 50 EKAA biogenic Cc1ccc2nc(Nc3ccccc3C)nc(-c3ccccc3)c2c1 277164 CTQDACGRMRPOQP-UHFFFAOYSA-N 325.415 5.657 0 50 EKAA CC(=O)Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 446525 CYKQDVWZNIULBK-UHFFFAOYSA-N 343.839 5.166 0 50 EKAA O=C(NCCc1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 474498 YLMCNRLJTYSPOX-UHFFFAOYSA-N 343.641 5.011 0 50 EKAA CCc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 486845 HLQSSKCKKLJDMQ-UHFFFAOYSA-N 347.414 5.059 0 50 EKAA CN(C(=O)N1c2ccccc2Sc2ccccc21)C1CCCCC1 2881837 OECOBRBNGGJKPU-UHFFFAOYSA-N 338.476 5.674 0 50 EKAA Cc1ccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c(C)c1 3878408 LTGHFZUQSVVXRM-UHFFFAOYSA-N 348.393 6.189 0 50 EKAA Cc1ccc(NC(=S)Nc2c(F)c(F)cc(F)c2F)cc1Cl 17072471 YLLHVUXLAJVOEZ-UHFFFAOYSA-N 348.752 5.014 0 50 EKAA Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 20070120 RSBTZIRWFSTYRT-IRLDBZIGSA-N 344.389 5.068 0 50 EKAA FC(F)(F)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12 20605271 YYBVLUCDWKFEDF-UHFFFAOYSA-N 346.333 5.637 0 50 EKAA O=C(/C=C/c1ccccc1)Nc1ccccc1SCc1ccccc1 71770874 DNOVDEWGALLQAZ-FOCLMDBBSA-N 345.467 5.631 0 50 EKAA C[C@H]1CCC[C@@H](C)N1CCCC(O)(C1CCCCC1)C1CCCCC1 96027834 VKBKFFGANFYBAI-BGYRXZFFSA-N 349.603 5.921 0 50 EKAA CN1[C@H]2CC[C@@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 100371760 OCAXFDULERPAJM-PLACYPQZSA-N 341.882 5.071 0 50 EKAA O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 63098 USUHUPNKUWWDHM-LJQANCHMSA-N 334.806 5.111 0 50 EKAA COc1ccc2c(=O)c(-c3ccccc3C)c(C(F)(F)F)oc2c1C 189929 ZJUTVVRTMDERNE-UHFFFAOYSA-N 348.320 5.104 0 50 EKAA O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1C[C@H]1c1ccccc1 285762 FXOKWMLZVSPKPK-SFTDATJTSA-N 328.415 5.172 0 50 EKAA c1csc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2cccs2)c1 309270 HQUFRNGXFVMWHO-UHFFFAOYSA-N 347.468 6.015 0 50 EKAA Cc1cc(C)cc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 397100 RESBNNVJQNNILW-UHFFFAOYSA-N 344.458 5.538 0 50 EKAA Cc1cccc(Cl)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 397963 FDHUOIRYWIWJAM-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA CCCCc1ccc(NC(=O)c2ccccc2SCCOC)cc1 2865273 FACJGCZFGHWLMF-UHFFFAOYSA-N 343.492 5.020 0 50 EKAA Cc1ccc(-c2nnc([C@H](C)Sc3ncccc3Cl)o2)cc1C 158431566 HHUONMCDOMXFPM-LBPRGKRZSA-N 345.855 5.255 0 50 EKAA CC(C)c1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 584904364 JBQUZOGCDRDURA-GOTSBHOMSA-N 340.555 5.039 0 50 EKAA CCCC(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 169574 GIONJFZIWAJELO-UHFFFAOYSA-N 335.519 5.588 0 50 EKAA Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Cl)cn2)o1 170919 COEXGZKSOYIJRI-UHFFFAOYSA-N 347.201 5.209 0 50 EKAA CC[C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 311005 JNJQRKJKAKAIGL-NRFANRHFSA-N 330.431 5.563 0 50 EKAA Cc1ccc2nc(-c3ccncc3)c(Nc3ccc(C(C)C)cc3)n2c1 427509 HCRBDNYTUYCOFE-UHFFFAOYSA-N 342.446 5.572 0 50 EKAA CCCOc1cccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)c1 2526040 NDJRRMYGDXCHTR-UHFFFAOYSA-N 341.794 5.042 0 50 EKAA O=C(S[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 196201219 NZAXSZBSVIVKJB-HXUWFJFHSA-N 332.424 5.184 0 50 EKAA CCSc1ccccc1NC(=O)c1oc2ccc(F)cc2c1C 334162352 MYUDAVVQVFYZGJ-UHFFFAOYSA-N 329.396 5.245 0 50 EKAA Cc1cc(Cl)cc(NC(=O)c2csc(C3CCCCC3)c2)c1O 2325840165 RORYTFZYQQUTDM-UHFFFAOYSA-N 349.883 5.716 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)Nc3nc(C)c(C)s3)sc2c1 68360 GKXWLFLTXKIXQU-UHFFFAOYSA-N 336.869 5.189 0 50 EKAA COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)[C@@H](C)C2CC2)cc1 231991 VQQRTLBUMFEGHC-ZDUSSCGKSA-N 344.842 5.186 0 50 EKAA CC(C)(C)Oc1ncc(-c2cccc(Cl)c2)c(OC(C)(C)C)n1 332384 PHWKYHFQSMFITB-UHFFFAOYSA-N 334.847 5.152 0 50 EKAA CC(C)(C)NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 473518 CNUSALNHRITBMP-UHFFFAOYSA-N 338.838 5.084 0 50 EKAA C[C@H]1CCc2c(C(=O)Nc3cccc(C(F)(F)F)c3)csc2C1 539946 FEMLTLZURLFGPH-JTQLQIEISA-N 339.382 5.144 0 50 EKAA COc1cccc(OCCOc2ccc(C(C)(C)C)cc2Cl)c1 4702027 BEBSLNCTUAOGEM-UHFFFAOYSA-N 334.843 5.104 0 50 EKAA Cc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 64984691 ZEFPGBJSLXORRO-LJQANCHMSA-N 342.870 5.798 0 50 EKAA CCCC1(O)[C@H](C)[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 248197213 QYKFGQQFZQYMFW-MCEIDBOGSA-N 337.507 5.218 0 50 EKAA Cc1nc(SCc2ccc(Cl)cc2)c2c(C)c(C)sc2n1 572857 LSSWHPFKPKCAJT-UHFFFAOYSA-N 334.897 5.562 0 50 EKAA O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 2520619 UJUVMOJTLUWCDJ-UHFFFAOYSA-N 328.626 5.332 0 50 EKAA C[C@H](NCCc1ccc(Cl)s1)[C@H](C)c1cc2ccccc2s1 1875343899 XVKHZKCCFRIXIS-STQMWFEESA-N 349.952 5.941 0 50 EKAA C[C@H]1CC(Cn2c(=O)n(C3=CCCCC3)c3ccccc32)C[C@H](C)C1 1875357441 HPJGEWZKUCQBIK-IAGOWNOFSA-N 338.495 5.290 0 50 EKAA CCC[C@H](N[C@H]1COC[C@@H]1CC)c1ccc(Oc2ccccc2)cc1 2325822369 TYRWUUALNYDGPX-HSQYWUDLSA-N 339.479 5.335 0 50 EKAA Fc1cccc(Cl)c1Cn1c(-c2cccs2)nc2ccccc21 1422716 HOVWPAFBOUGUBY-UHFFFAOYSA-N 342.826 5.606 0 50 EKAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)cc1 1778079 UOMQECRHRUFGIA-YRNVUSSQSA-N 329.827 5.089 0 50 EKAA O=C(Nc1ccccc1-c1ccccc1)c1c(F)cccc1Cl 3329773 RNKGOJOKXQBDCE-UHFFFAOYSA-N 325.770 5.398 0 50 EKAA CC[C@@H](NC(=O)Nc1ccc(C(C)C)cc1)c1ccc(Cl)cc1 13328932 ZALHOHIQFIDFEH-GOSISDBHSA-N 330.859 5.736 0 50 EKAA Cc1[nH]c(-c2ccc(-c3ncccc3Cl)o2)nc1-c1ccccc1 1875390152 RCJXYOKNPUWERB-UHFFFAOYSA-N 335.794 5.361 0 50 EKAA Cc1cccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)c1 105909 WPISIWQMLPEGEM-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA COc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(C)s1 286124 MMWJVIQKVUSIDX-UHFFFAOYSA-N 330.840 5.524 0 50 EKAA CCC(=O)c1ccc(CCCc2ccc(Br)cc2)cc1 391648 DYRWUQNEQZQJGA-UHFFFAOYSA-N 331.253 5.217 0 50 EKAA CCc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 1085401 MGSWARIZBMIVNS-UHFFFAOYSA-N 329.443 5.287 0 50 EKAA Cc1ccc(Cl)c(OCCCn2c3ccccc3c3ccccc32)c1 2993147 NHUGHTUWGURBQS-UHFFFAOYSA-N 349.861 6.225 0 50 EKAA CC1=C(CCN2CCN(c3cc(C)ccc3C)CC2)C(C)(C)CCC1 4980217 SKRFYOIRVHZCPZ-UHFFFAOYSA-N 340.555 5.342 0 50 EKAA CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1 64633831 QCXBVGNDRYQVJO-GRSHGNNSSA-N 336.406 5.752 0 50 EKAA in-vitro Cc1ccccc1[C@@H](C(=O)Nc1ccc2cccnc2c1)C1CCCC1 1875335866 JOUZFTMHHQISCP-QFIPXVFZSA-N 344.458 5.456 0 50 EKAA COc1ccc2c(Cl)c(C(=O)NCCC3=CCCCC3)sc2c1 38570 NUSMBYQLSYEOLT-UHFFFAOYSA-N 349.883 5.184 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2ccccc12 395070 SVTIFPBMTCCBSF-UHFFFAOYSA-N 331.202 5.791 0 50 EKAA O=C(COc1ccc2ccccc2c1)Nc1cccc(Cl)c1Cl 443389 YONWSSBELHJYIV-UHFFFAOYSA-N 346.213 5.164 0 50 EKAA C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 470011 ACAYCMLVJGOTJK-QGZVFWFLSA-N 347.483 5.614 0 50 EKAA C/C=C/c1c(F)c(F)c(Oc2ccccc2OCC)c(F)c1F 471699 BYNYEJHXMQYUNL-XVNBXDOJSA-N 326.289 5.467 0 50 EKAA Cc1ccc(Cl)c(OCCCOc2cccc3ccc(C)nc23)c1 2822278 MXVFJUWBKJTHQG-UHFFFAOYSA-N 341.838 5.353 0 50 EKAA CC(C)[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 2862246 PNLROTUQVOYKBL-DEOSSOPVSA-N 343.470 5.410 0 50 EKAA CC(C)C[Sn](CC(C)C)(CC(C)C)CC(C)C 169817532 CKPJWJGGZOJURQ-UHFFFAOYSA-N 347.175 6.059 0 50 EKAA CC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 2850951 SPBDBOSEKZELPA-UHFFFAOYSA-N 339.247 5.005 0 50 EKAA Cc1cccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1 2983036 ZZQBWTBROOIAIX-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA CCc1ccccc1Nc1nc(-c2c(C)nc3cc(C)ccn23)cs1 4702224 KOTFQVGXCGVDEY-UHFFFAOYSA-N 348.475 5.381 0 50 EKAA Cc1ccc2oc(C(=O)N3CCCCC[C@H]3c3ccco3)c(C)c2c1 97402356 OGULHYNXUFGCJG-KRWDZBQOSA-N 337.419 5.400 0 50 EKAA C1C[C@H]2C[C@H]1[C@@H]1SC(=C3S[C@H]4[C@H]5CC[C@@H](C5)[C@H]4S3)S[C@H]21 253588391 AXKZAQWXUQRLEU-UEICNUPNSA-N 340.604 5.407 0 50 EKAA Cc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1C 91739 VAKXWQXSZYEFMA-UHFFFAOYSA-N 327.387 5.101 0 50 EKAA Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1 124782 WATMWUPUTYBRFA-UHFFFAOYSA-N 335.369 6.128 0 50 EKAA CC(C)(C)c1ccc(-c2nnc(S)n2-c2cccc(Cl)c2)cc1 203426 MXTKVGGYCPVIAW-UHFFFAOYSA-N 343.883 5.174 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)c1ccccc1CCc1ccccc1 1066587 QAUTYIWVXARTNI-UHFFFAOYSA-N 349.861 5.686 0 50 EKAA Cc1cccc2c(C(=O)O)cc(-c3cc(Cl)ccc3Cl)nc12 4651986 GIELAXUXAMGOCR-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA CSc1ccc(CN2CCC(Nc3ccccc3Cl)CC2)cc1 4817068 NSACQXPROWRXTE-UHFFFAOYSA-N 346.927 5.138 0 50 EKAA Cc1ccc(-c2nc(CN(C)Cc3ccc([C@H]4C[C@H]4C)o3)cs2)o1 230197318 SXNFOWZTVWQJTO-WBMJQRKESA-N 342.464 5.060 0 50 EKAA Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)o1 115294 GTJLUNIJLQCYJS-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA O=C1C[C@@H](c2cccc3ccccc23)Sc2nc3ccccc3n21 167107 QIBSBWWAIKHCBA-SFHVURJKSA-N 330.412 5.067 0 50 EKAA O=C(Nc1ccccc1)Oc1ccc(Cl)cc1Cc1ccccc1 398333 LPZRHRRDKUEKSC-UHFFFAOYSA-N 337.806 5.542 0 50 EKAA CCN(C(=O)Nc1cc(C)ccc1OC)c1ccc(C)c(Cl)c1 401808 RXBHKYKXISHVJB-UHFFFAOYSA-N 332.831 5.024 0 50 EKAA CC(C)c1ccc(OC[C@@H](C)NC(=O)c2ccc3ccccc3c2)cc1 468726 OPJCCLLHXSAUIU-QGZVFWFLSA-N 347.458 5.161 0 50 EKAA CCc1cccc(C)c1Nc1c(-c2ccsc2)nc2ncccn12 8594705 FWKZAYCBLMBJKH-UHFFFAOYSA-N 334.448 5.072 0 50 EKAA c1ccc(C[C@H](NCc2c[nH]c3ccccc23)c2ccccc2)cc1 19642728 HUUNUNYGLNQOMP-QHCPKHFHSA-N 326.443 5.242 0 50 EKAA biogenic O=Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 165236381 IQCJKKFSTPHNEX-UHFFFAOYSA-N 334.418 6.500 0 50 EKAA O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(Cl)s1 228230 SSVWZSOYULCHEY-UHFFFAOYSA-N 348.254 5.974 0 50 EKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 442445 YKECJRPOOJAKNY-UHFFFAOYSA-N 337.341 5.135 0 50 EKAA Cc1ccc2oc(C(=O)Nc3ccccc3Br)c(C)c2c1 617947 LTZIRIDEXUQVCQ-UHFFFAOYSA-N 344.208 5.064 0 50 EKAA Cc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 1886726 UMRPVSWJXSKSRJ-UHFFFAOYSA-N 338.234 5.100 0 50 EKAA CC(C)(C)c1ccc(OCCSc2nc3ccccc3o2)cc1 2980632 KNOUYDASFHNUAW-UHFFFAOYSA-N 327.449 5.296 0 50 EKAA CCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 19912374 PHWIMVMNWHJCBG-FYYLOGMGSA-N 342.442 5.510 0 50 EKAA CC(C)(C)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 253610022 XRQMGIQLKOIPKU-HZOWKKAVSA-N 344.539 5.702 0 50 EKAA CCc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 385970 GMWAJOUQRHRIDV-UHFFFAOYSA-N 325.795 5.415 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 858907 CSAUDQIEKOJHJZ-UHFFFAOYSA-N 337.806 5.693 0 50 EKAA O=C(/C=C/c1ccccc1Cl)Nc1ccc(-c2ccccc2)cc1 2702119 FYSYUIVSNBZMHG-NTCAYCPXSA-N 333.818 5.659 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)SCc1ccccc1 2855580 YDPZWUVKCHNHST-MRXNPFEDSA-N 327.493 5.379 0 50 EKAA CCCc1cc(=O)oc2c(C)c(OC/C=C/c3ccccc3)ccc12 3003025 IYJPZUVOBVYQAK-YRNVUSSQSA-N 334.415 5.146 0 50 EKAA COc1ccccc1N1N=C(c2cccs2)C[C@H]1c1ccccc1 4154938 OPVIXQGOGPJATJ-SFHVURJKSA-N 334.444 5.112 0 50 EKAA aggregator CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 4912330 JZJWLYUDTGZTKQ-HXUWFJFHSA-N 331.415 5.101 0 50 EKAA O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(-c2ccccc2)[nH]1 2325770823 GBOGCYJGXAWVOM-UHFFFAOYSA-N 338.410 5.601 0 50 EKAA Cc1sc(Nc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1 286125 GCYQOZFVLCBNSJ-UHFFFAOYSA-N 335.259 6.169 0 50 EKAA FC(F)(F)c1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1 471997 AKKWGXUJWOHXLT-UHFFFAOYSA-N 345.320 5.472 0 50 EKAA CC(=O)c1c(Sc2cccc(Cl)c2)nc2ccccc2c1C 1386389 QQJLVMIPAOIQPW-UHFFFAOYSA-N 327.836 5.550 0 50 EKAA CCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 2859044 MGRIZNZLBIVAFK-UHFFFAOYSA-N 344.867 5.745 0 50 EKAA CCSc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 4696328 LDITUYGBDWXLCR-UHFFFAOYSA-N 326.248 5.358 0 50 EKAA CC(C)=CCC[C@H](C)CCN1CCN(C/C=C/c2ccccc2)CC1 19609062 XIVVTWFPFOCLTP-SYZXBLONSA-N 340.555 5.090 0 50 EKAA CCCC[C@H](CC)CN(C[C@H](CC)CCCC)C(=O)C(C)(C)C 144983367 ODFOPGYFSLHCQS-KDURUIRLSA-N 325.581 6.294 0 50 EKAA CCN(CC)c1c(O)nc2cc(Cl)ccc2c1-c1ccccc1 170619452 PLGNSQZCSQRPMU-UHFFFAOYSA-N 326.827 5.107 0 50 EKAA CC(C)c1ccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 584904363 JBQUZOGCDRDURA-DHIUTWEWSA-N 340.555 5.039 0 50 EKAA COc1ccc(Nc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 98363 GGTWWUJAEJLRJF-UHFFFAOYSA-N 347.443 5.419 0 50 EKAA CC1=CC(C)(C)N(C(=O)Nc2ccc(C)cc2)c2cc(C)c(C)cc21 207434 RNSXITZTZPPEBU-UHFFFAOYSA-N 334.463 5.846 0 50 EKAA Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl 303375 XIYPKXLQAGAMTF-UHFFFAOYSA-N 349.044 5.861 0 50 EKAA CCN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 352978 UAZLYFSQXGGXOL-UHFFFAOYSA-N 329.399 5.182 0 50 EKAA CCc1cccc(CC)c1NC(=O)CCc1ccc(OC)c(Cl)c1 4542050 CQTHOFZNDYWDAM-UHFFFAOYSA-N 345.870 5.045 0 50 EKAA CC(C)C1=NC(c2ccccc2)(c2ccccc2)c2ccccc2O1 4964488 UIAJGJLOUKLWCX-UHFFFAOYSA-N 327.427 5.425 0 50 EKAA Cc1noc(C)c1CCCn1cnc(-c2ccccc2)c1C1CCCC1 65407457 CHWUPYJOGACMPP-UHFFFAOYSA-N 349.478 5.445 0 50 EKAA C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ccc2cccnc2c1 2325827930 URAXVMRQBNRTQS-HRAATJIYSA-N 330.475 5.698 0 50 EKAA c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 85049 XFVZHFLPHLUWLZ-VGOFRKELSA-N 343.451 5.663 0 50 EKAA CCc1cccc(CC)c1NC(=S)Nc1cc(Cl)ccc1OC 611550 SEHGQCBTCQGFHE-UHFFFAOYSA-N 348.899 5.282 0 50 EKAA Cc1ccc(-c2noc(C(c3ccccc3)c3ccccc3)n2)cc1 4685110 BBEVYOGVLYYEFY-UHFFFAOYSA-N 326.399 5.225 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c(Cl)c1 36620881 PWNRLWLQWWARLZ-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H]1c1ccccc1 216514402 WGTQMXKTPXOADO-NRFANRHFSA-N 342.442 5.034 0 50 EKAA CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC)cc3)cc2)CC1 245189271 JOLGXBQYTARJLD-AFARHQOCSA-N 334.547 7.770 0 50 EKAA in-vitro Cc1nc2cc(NCc3cccc(OCc4ccccc4)c3)ccc2o1 394411930 KERFAEPDJYISLC-UHFFFAOYSA-N 344.414 5.327 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)CSc1ccc(Cl)cc1 402132 BRRXLFDFTPSMGK-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA Cc1cc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c2cc1C 617112 IGYHWNYINVPAPZ-UHFFFAOYSA-N 348.229 5.917 0 50 EKAA CCCCc1ccc(NC(=O)CSCc2ccccc2C)cc1 2852737 HAUXTRIKAIGGFL-UHFFFAOYSA-N 327.493 5.210 0 50 EKAA Cc1ccc2nc(-c3ccccc3O)c(Nc3ccccc3C)n2c1 3911565 YFMAMOBQWWTHKX-UHFFFAOYSA-N 329.403 5.067 0 50 EKAA c1ccc2c(Nc3ccc(-c4cccc5ccccc45)cc3)cccc2c1 201431870 XQNQYYUKPVKEIF-UHFFFAOYSA-N 345.445 7.404 0 50 EKAA Cc1ccc(NC(=O)c2cccc3ccccc23)c(Br)c1 255786 UCJHHXZDHFDWPC-UHFFFAOYSA-N 340.220 5.163 0 50 EKAA Cc1ccc(SCCC(=O)Nc2cc(Cl)ccc2Cl)cc1 469826 DRQGLYSHHABHGS-UHFFFAOYSA-N 340.275 5.423 0 50 EKAA O=C1C[C@H](c2ccc(-c3ccccc3)cc2)c2c(ccc3ccccc23)N1 1438213 FIXJFHRCFOCKFV-JOCHJYFZSA-N 349.433 5.981 0 50 EKAA Cc1sc(Nc2ccccc2Br)nc1-c1ccccc1 2546747 AWUYJMOYRBVIAI-UHFFFAOYSA-N 345.265 5.625 0 50 EKAA COc1c(Cl)cc(Cl)cc1/C=C/c1ccc2ccccc2n1 5065466 UEXAOOUMVDMZDX-VQHVLOKHSA-N 330.214 5.721 0 50 EKAA Cc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c(C)c1 13736940 WACCRGSCWXHEOR-UHFFFAOYSA-N 325.264 5.419 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)O[C@@H]1C[C@H]2CC[C@@]13CCC[C@@H]23 15321022 ULOOTODLOBJAKK-SADCGLOJSA-N 340.250 5.511 0 50 EKAA O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2ccccc12 28126 SYPLKSHZHGOFHR-UHFFFAOYSA-N 346.213 5.164 0 50 EKAA COc1cccc(-c2coc3c2c(C)cc2oc(=O)c4c(c23)CCC4)c1 95473 INDXWOXQYLVWPT-UHFFFAOYSA-N 346.382 5.012 0 50 EKAA biogenic CCc1ccc(O[P@@](C)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 288785 BPNGOJFPOZBYJV-OAQYLSRUSA-N 344.178 5.870 0 50 EKAA O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)s1 370792 ARUNLGSWDHCZNB-UHFFFAOYSA-N 329.808 5.446 0 50 EKAA CCc1cccc(C)c1NC(=O)CSCc1ccccc1Cl 469929 OKJUHDLJIWDZMZ-UHFFFAOYSA-N 333.884 5.083 0 50 EKAA Cc1ccc(C(=O)COc2ccc(Cc3ccccc3)cc2)cc1C 992663 SLDOASWYUHXTDZ-UHFFFAOYSA-N 330.427 5.156 0 50 EKAA CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 1299537 QZXAPPIXSFRWQK-UHFFFAOYSA-N 334.419 5.383 0 50 EKAA Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2771334 SRKNKCGNHLZSOP-UHFFFAOYSA-N 338.234 5.100 0 50 EKAA CCCCSCC(CSCCCC)OC(=O)c1ccccc1 5102398 QNQHWFIFYLGTLD-UHFFFAOYSA-N 340.554 5.279 0 50 EKAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C3CCCCCC3)C2)cc1 11911978 KSKMDKKFUIKZGS-QGZVFWFLSA-N 341.474 5.118 0 50 EKAA CC[C@@H](NC[C@@H](CO)Cc1ccccc1C)c1cccc2ccccc12 2325841603 AVRGLCIXMDBDLT-YADARESESA-N 347.502 5.040 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 290617 UKYYRHCHJGCXAL-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA CC[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 311965 UHCWTWCCTSCLBT-ZDUSSCGKSA-N 341.760 5.491 0 50 EKAA c1ccc2sc(-c3ccc(-c4nc5ccccc5s4)o3)nc2c1 408929 MPZLMUYUIBRMGP-UHFFFAOYSA-N 334.425 5.833 0 50 EKAA CCc1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2)cc1 466965 MVRWGHRRMJAKDE-UHFFFAOYSA-N 345.442 5.389 0 50 EKAA Cc1ccc(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 514601 WOOZWJRPTXXIKO-UHFFFAOYSA-N 327.733 5.228 0 50 EKAA Cc1c(C)n(C)c2ccc(C(=O)Nc3cccc4ccccc34)cc12 2761584 MWYRGSGWTGXQSM-UHFFFAOYSA-N 328.415 5.201 0 50 EKAA aggregator CC[C@@H](C)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1 3722561 NAVAHFWVZUPGPQ-CQSZACIVSA-N 338.476 5.485 0 50 EKAA COc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1 4010525 VRKBBDGXDMUOAI-IBGZPJMESA-N 334.444 5.112 0 50 EKAA COc1ccccc1N1N=C(c2ccccc2)C[C@H]1c1ccccc1 4844407 HSWXJAVUGCOOMR-NRFANRHFSA-N 328.415 5.051 0 50 EKAA CCC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(C)cc3)=NN12 4854089 CGHXBMDJGVVKRQ-ICSRJNTNSA-N 340.854 5.318 0 50 EKAA Cc1cccnc1NC(=O)c1sc2cccc(Cl)c2c1Cl 13285121 KADOXMSKMAUFNH-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA CC[C@H](Cc1ccccc1Br)N[C@@H](C)c1ccccc1 670420460 LDDLOTJIPGLUDU-WMLDXEAASA-N 332.285 5.121 0 50 EKAA CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 1857795355 XRQMGIQLKOIPKU-PSZCFUFSSA-N 344.539 5.702 0 50 EKAA Clc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1 119446 SYBCMMMOKPMEPI-UHFFFAOYSA-N 333.778 5.138 0 50 EKAA Clc1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 380770 ULRHZSSIPYDTHF-UHFFFAOYSA-N 337.231 5.336 0 50 EKAA CCCc1cc(=O)oc2cc(O[C@@H](C)c3ccccc3)c(Cl)cc12 2995557 SNXQBBXLLCIIGQ-ZDUSSCGKSA-N 342.822 5.539 0 50 EKAA C[C@@H](c1ccccc1)n1c(=O)n(C[C@@H]2CCC(C)(C)C2)c2ccccc21 1875357397 FKJJBJKYIUOWGX-ZWKOTPCHSA-N 348.490 5.239 0 50 EKAA CC[C@H](C)c1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1 2325823693 ARIHDHFNMZAGLY-LBPRGKRZSA-N 343.883 5.538 0 50 EKAA C[C@@H](N[C@H](C)c1cccc2ccccc12)c1cccc2ccccc12 2569297 PEXNOWUVNJBAPF-QZTJIDSGSA-N 325.455 6.405 0 50 EKAA CCOC(=O)c1cccc(Nc2cc(C)nc3c(C)cc(C)cc23)c1 6026569 YIQDGDRJIVYVCJ-UHFFFAOYSA-N 334.419 5.080 0 50 EKAA C1=C[C@@H]2[C@H]1C1(Cc3ccccc3)N=NC2(Cc2ccccc2)[C@@H]2C=C[C@@H]21 17003886 OVPRGOYKNGAKIF-ARRLCGBJSA-N 338.454 5.033 0 50 EKAA CSc1cccc(NC(=O)N[C@H](CC(C)(C)C)c2cccnc2)c1 952989673 OCSVYRBSVIMSRB-QGZVFWFLSA-N 343.496 5.103 0 50 EKAA COc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1Cl 301849 RHFFNFDHAALZPH-KPKJPENVSA-N 343.854 5.298 0 50 EKAA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 443331 KSGLRZULFBVDGN-RUDMXATFSA-N 325.717 5.011 0 50 EKAA CC[C@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 4809590 BIJWVJKGNQELKC-SFHVURJKSA-N 336.460 5.251 0 50 EKAA CC(C)[C@@H](c1ccccc1)N(O[C@@H](C)c1ccccc1)C(C)(C)C 6040199 FPFRTDOMIFBPBZ-RXVVDRJESA-N 325.496 6.177 0 50 EKAA Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1 16994622 ZNYXMHKDFWDUDJ-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)cc1 64984592 QLYWYEUCICSDNC-OAQYLSRUSA-N 336.479 5.761 0 50 EKAA Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cs1 146831 IJBAQRSZLASLKR-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA COc1cccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 398101 KVRURRSSDFIVMW-UHFFFAOYSA-N 345.613 5.299 0 50 EKAA Cc1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 452690 BTOVKKBLSOXSJL-UHFFFAOYSA-N 337.806 5.693 0 50 EKAA O=C(c1ccc(COc2ccc3ccccc3c2)cc1)N1CCCCC1 468063 SMVZBULHSLRZDZ-UHFFFAOYSA-N 345.442 5.045 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1Cl 558373 QAGDSCCSHCXEME-UHFFFAOYSA-N 342.870 5.137 0 50 EKAA Cc1ccc2oc(C(=O)Nc3ccc(Cl)cc3Cl)c(C)c2c1 1216844 APOATAUYRNFYOD-UHFFFAOYSA-N 334.202 5.609 0 50 EKAA O=C(c1ccccc1)c1ccc(CSc2nc3ccccc3o2)cc1 2813603 XPSJGQSIRIBDTL-UHFFFAOYSA-N 345.423 5.351 0 50 EKAA CCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)c(F)c1F 90472328 DEFRYXBKOCRIJE-UHFFFAOYSA-N 344.445 6.714 0 50 EKAA CCC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Oc2ccccc2)cc1 2325822115 DZAYNALMBBVIFU-HTAPYJJXSA-N 334.463 5.999 0 50 EKAA CC(C)(C)c1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1 2325823899 IEMAWZPGWQRVSY-UHFFFAOYSA-N 343.883 5.322 0 50 EKAA O=C(NCc1ccc(Cl)cc1)c1sc2ccccc2c1Cl 176135 WOHPFQDTCUMVRD-UHFFFAOYSA-N 336.243 5.138 0 50 EKAA Cc1cc2c(cc1C1(C)OCC(C)(C)CO1)C(C)(C)[C@H](C)C2(C)C 3122372 CCTHESKUQRGGSN-OAHLLOKOSA-N 330.512 5.446 0 50 EKAA CCCCNCCCOc1ccc(C(C)(C)c2ccccc2)cc1 3460677 LOJSTSRAOMYGLU-UHFFFAOYSA-N 325.496 5.171 0 50 EKAA CCCCc1ccc(NC(=O)N[C@H](CC)c2ccc(Cl)cc2)cc1 13329033 OMEBSYQKJARBGT-LJQANCHMSA-N 344.886 5.955 0 50 EKAA Oc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1Cl 17072311 WYCKVUHTYMJLRO-UHFFFAOYSA-N 347.654 5.161 0 50 EKAA Cc1cc2c(cc1C)N(Cc1ccc(C(C)(C)C)cc1)C1=NCCCN12 100518395 VADPHRZISWPTFL-UHFFFAOYSA-N 347.506 5.187 0 50 EKAA COc1ccc(OC)c(C[C@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]32)c1 100684679 YNTBOVIYSGWPEU-LMDOGRNLSA-N 342.523 6.045 0 50 EKAA O=C(Nc1ccc(Cl)cc1F)C(c1ccccc1)c1ccccc1 473595 DVPPSMPDLJULHE-UHFFFAOYSA-N 339.797 5.250 0 50 EKAA O=C1C[C@H](c2ccc(Cl)c(Cl)c2)Sc2nc3ccccc3n21 615111 VZZIOMGQWBUYIN-CQSZACIVSA-N 349.242 5.220 0 50 EKAA CC1CCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 859627 RVIWMYNXGYVFNE-XDJHFCHBSA-N 339.866 5.139 0 50 EKAA Cc1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c(C)c1 1025805 DQGWICUBSDADGW-UHFFFAOYSA-N 348.475 5.435 0 50 EKAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4532980 HCGWHJRCLCRJFR-USGDIRTKSA-N 330.512 5.194 0 50 EKAA Cc1ccccc1NC(=O)CCc1ccc(-c2cccc(Cl)c2)o1 4541865 ZMMWTROODHDIGN-UHFFFAOYSA-N 339.822 5.480 0 50 EKAA CCn1c(SCc2ccc(C)cc2)nnc1-c1cccc(Cl)c1 5478724 PMVPBVKKZPITDN-UHFFFAOYSA-N 343.883 5.219 0 50 EKAA COC(=O)C[C@H](C)CCCCCCCCCCCCc1ccccc1 44076038 JPSAJPNKLSJSSO-OAQYLSRUSA-N 346.555 6.719 0 50 EKAA CC[C@@H](C)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 464549 FLJWTCYLOABMRP-CYBMUJFWSA-N 333.884 5.584 0 50 EKAA CCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1 471102 NCWZFOKJVBJKBS-UHFFFAOYSA-N 345.442 5.030 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC 4543722 ABGHYAFHPINIHF-ZKWNWVNESA-N 346.555 7.085 0 50 EKAA Cc1cccc(-c2csc(=N)n2-c2ccc(Cl)c(Cl)c2)c1 5571242 OCLJUDHWGYPUNX-UHFFFAOYSA-N 335.259 5.300 0 50 EKAA CC[C@H](C)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 5949852 RDTZJCQGPQLPTB-KRWDZBQOSA-N 331.459 6.038 0 50 EKAA CCc1cccc(CC)c1N(C(=O)CC1CCCCC1)[C@H](C)COC 23114798 IAHXLAVPMPYUNB-QGZVFWFLSA-N 345.527 5.150 0 50 EKAA C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 371177 PABSLLGSBWPZJF-VIFPVBQESA-N 344.625 5.053 0 50 EKAA CCOc1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 445661 PXKPGKQYPYWWOC-CSKARUKUSA-N 336.218 5.044 0 50 EKAA Nc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2Cl)cs1 1391249 BMNVUUCUEXUFFG-UHFFFAOYSA-N 337.231 5.491 0 50 EKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1Cl 1640155 CAACRHCEWMUNCL-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA Cc1ccc(OCCCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 1914087 UDUOTTCTRIJQTM-UHFFFAOYSA-N 331.843 5.063 0 50 EKAA Cc1cc(C)c(C2N(c3ccccc3)CCN2c2ccccc2)c(C)c1 2260761 RTQYGNKUSROPJC-UHFFFAOYSA-N 342.486 5.637 0 50 EKAA Cc1cc(C)c(OCCCOc2cccc3ccc(C)nc23)c(C)c1 2824035 LOGNKAICGZNTHH-UHFFFAOYSA-N 335.447 5.316 0 50 EKAA COc1ccc(CCC(=O)Nc2ccccc2C(C)C)cc1Cl 4542061 WGVNIBBSXWURMT-UHFFFAOYSA-N 331.843 5.043 0 50 EKAA CC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 4820946 JCWOJHKEEHOMDM-UHFFFAOYSA-N 336.460 5.462 0 50 EKAA CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 17071541 SXOYSBXRDZLLKS-UHFFFAOYSA-N 342.439 5.035 0 50 EKAA Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccccc1 97295 DWAUNQITACPFQN-NRFANRHFSA-N 333.456 5.375 0 50 EKAA Cc1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1C 443553 NFCMFHSQUTXWEG-UHFFFAOYSA-N 341.458 5.314 0 50 EKAA Cc1ccc(CSc2nnc(Nc3ccc(C)cc3)s2)cc1 1125788 BESSBEGHPMPQBY-UHFFFAOYSA-N 327.478 5.191 0 50 EKAA O=C1C[C@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21 1403138 WUFBSXLAIXSHEX-GOSISDBHSA-N 334.802 5.851 0 50 EKAA Nc1ccccc1-c1ccccc1N(c1ccccc1)c1ccccc1 2496170 JKJNYIFMEVEKCW-UHFFFAOYSA-N 336.438 6.406 0 50 EKAA CCCC[Sn](C=C(C)C)(CCCC)CCCC 169794538 LWNCDBSQZPDFOG-UHFFFAOYSA-N 345.159 6.341 0 50 EKAA C[C@H](NC(=O)c1csc(C2CCCCC2)c1)[C@H](C)c1ccccc1 2325840871 VGTFVQUITVOVSX-HOTGVXAUSA-N 341.520 5.718 0 50 EKAA Cc1ccc(-c2nn(CNc3ccc(C)c(Cl)c3)c(=S)o2)cc1 79766 WOAYTAFHBWCCSC-UHFFFAOYSA-N 345.855 5.212 0 50 EKAA Cc1cc(O)c(NC(=O)c2sc3ccccc3c2Cl)cc1C 106101 UQKPNSUZQBFXJF-UHFFFAOYSA-N 331.824 5.129 0 50 EKAA CC(C)c1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 452455 DLABLOIIFQJIFV-RCCKNPSSSA-N 331.415 5.582 0 50 EKAA COc1ccc(Oc2ccc(NC(=O)c3ccccc3C)cc2)cc1 463890 RKJYVDIBHNIJKQ-UHFFFAOYSA-N 333.387 5.048 0 50 EKAA CSc1ccccc1NC(=S)Nc1cccc(Cl)c1Cl 621294 SACJODZUBNOXRN-UHFFFAOYSA-N 343.304 5.524 0 50 EKAA O=C(CSc1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl 2888877 KQQLFQSKQAQGKY-UHFFFAOYSA-N 346.666 5.378 0 50 EKAA Cc1ccc2sc(-c3ccc(NCc4ccccc4)cc3)nc2c1 2951645 SBOOQIFDACIXMH-UHFFFAOYSA-N 330.456 5.884 0 50 EKAA O=C(Nc1ccccc1)N1CCCCC[C@@H]1c1ccccc1Cl 35561615 FQZDITVAANFHCC-GOSISDBHSA-N 328.843 5.489 0 50 EKAA Cc1ccc(-c2nc(CSCc3ccc(F)c(F)c3)cs2)o1 1875305666 XAIWSVNQAOLAOZ-UHFFFAOYSA-N 337.416 5.423 0 50 EKAA Cc1ccc(NC(=O)Oc2ccc(Cl)cc2Cl)cc1Cl 398423 QWPGUIVIZZLPSE-UHFFFAOYSA-N 330.598 5.566 0 50 EKAA Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 588404 OQOSZPCXMBOSNQ-UHFFFAOYSA-N 341.414 5.099 0 50 EKAA O=C(c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1 2557927 ITMLYLPKSFZCJK-UHFFFAOYSA-N 337.216 5.347 0 50 EKAA in-vitro CC(C)(C)c1ccc(/C=C/C(=O)NCCSC2CCCCC2)cc1 2814674 VWBINCGEQSQQSA-SDNWHVSQSA-N 345.552 5.179 0 50 EKAA CC[C@H](C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 2873633 NRBLQVKPOVADGT-IBGZPJMESA-N 347.483 5.970 0 50 EKAA Fc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 4199491 UKWYTWNGXNFWRR-OAQYLSRUSA-N 334.369 5.321 0 50 EKAA O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccccc2)cc1 4614843 QSRNHAADNMWCFU-UHFFFAOYSA-N 325.770 5.398 0 50 EKAA Clc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)cc1 45068137 RFYXHKRNQLYBSS-GOSISDBHSA-N 338.863 5.757 0 50 EKAA Brc1cc(OCc2ccccc2)cc(N2CCCCC2)c1 1772572612 HJSUKTJKODWEPP-UHFFFAOYSA-N 346.268 5.018 0 50 EKAA C[C@@H]1C[C@@H](CNc2ccc(Oc3ccc(Cl)cc3)cc2)CCO1 2325864191 INAYCEGQHIGIPK-CABCVRRESA-N 331.843 5.359 0 50 EKAA Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 72583 WEJIGCOVTGULFD-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2C)c2ccccc2)c1 1109974 SPGDKMPRAYYXQE-QFIPXVFZSA-N 329.443 5.131 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)CCCOc1ccc(Cl)cc1 1773667 VUJQANVDGYNJKX-UHFFFAOYSA-N 338.234 5.100 0 50 EKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)s1 13325799 SRECWZNGIGNVTQ-UHFFFAOYSA-N 340.153 5.326 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1C[C@H]2CC[C@@]13CCC[C@@H]23 15321025 ULOOTODLOBJAKK-VSQNCQAESA-N 340.250 5.511 0 50 EKAA Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3ccccc3)c2c1 2079364 SSZAXGJOADOLRI-UHFFFAOYSA-N 339.394 5.429 0 50 EKAA CCn1c2ccccc2c2cc(CNCc3ccc(OC)cc3)ccc21 2738727 PZCUFYOFOLBPAR-UHFFFAOYSA-N 344.458 5.113 0 50 EKAA CC(C)(C)CC(C)(C)NC(=O)CC(c1ccccc1)c1ccccc1 2865424 UCUCUQBMVKYEKH-UHFFFAOYSA-N 337.507 5.540 0 50 EKAA Cc1ccc(CCSc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cn1 2913538 AMUFBHCQIOBOKM-UHFFFAOYSA-N 341.564 6.320 0 50 EKAA CCOc1ccc(OCCCOc2cccc(Cl)c2Cl)cc1 2987098 NFJZYANTVVVUBB-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 4725388 NBZWFYFGXATCDS-UHFFFAOYSA-N 339.266 5.084 0 50 EKAA CCCc1ccc([C@@H](C)NC(=S)Nc2ccccc2OCC)cc1 13751363 WSICBTBGZISILE-OAHLLOKOSA-N 342.508 5.085 0 50 EKAA CCCCCCc1ccc(-c2ccc(-c3cccs3)s2)s1 32266740 LBMUANVIIFUZKC-UHFFFAOYSA-N 332.559 7.328 0 50 EKAA Cc1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)oc2c1 447607 BVEYNWVBSCYAFJ-UHFFFAOYSA-N 328.799 5.051 0 50 EKAA O=C(Nc1ccccc1Br)c1c(Cl)cccc1Cl 456153 XXAWOVQBTMZCPP-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA C[C@@H]1CC2(CCCCC2)N(C(=O)c2ccccc2)Cc2ccccc21 1157436 HWGTZXHFUYPLAW-GOSISDBHSA-N 333.475 5.539 0 50 EKAA biogenic Fc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1 1213644 WDBANKNHHYSDKZ-UHFFFAOYSA-N 339.222 6.000 0 50 EKAA Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccc(C)s2)c1 2819559 GZZAHEIPEZGOGC-UHFFFAOYSA-N 348.515 5.699 0 50 EKAA Cc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)c(F)c1F 2855627 ODJQXDYOVQUZLW-UHFFFAOYSA-N 335.438 5.381 0 50 EKAA CCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2991662 MUUSBZCLUMMEND-UHFFFAOYSA-N 338.234 5.425 0 50 EKAA c1ccc(CC2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1 4492448 OUBUJTVJJFJVAJ-UHFFFAOYSA-N 334.488 5.269 0 50 EKAA CC1(C)[C@@H](C(=O)Nc2cccc3ccccc23)[C@@H]1C=C(Cl)Cl 44319 RGRMTRZXDADKBI-XJKSGUPXSA-N 334.246 5.370 0 50 EKAA CC1(C)Nc2ccccc2-c2c1sn(C1CCCCC1)c2=S 169561 GTKBBWMCGKGOSP-UHFFFAOYSA-N 330.522 6.112 0 50 EKAA C[C@@H]1CC2=C(C[C@@H]1COC(=O)Nc1ccccc1)C(C)(C)CCC2 210885 KAQLIWBOUVGKDQ-NVXWUHKLSA-N 327.468 5.788 0 50 EKAA biogenic CC(=O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 613696 COIVJPVMGPZVTF-UHFFFAOYSA-N 344.439 5.910 0 50 EKAA O=C(c1ccc(Cl)cc1)c1ccc(CSCc2ccco2)o1 4512244 LIGNUAYWXLNLFG-UHFFFAOYSA-N 332.808 5.190 0 50 EKAA CC[C@@H](C)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746263 OBSPBKZYVSXTKV-MRXNPFEDSA-N 327.427 5.997 0 50 EKAA in-vitro O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 375341 NAJXVTICSDTDQZ-UHFFFAOYSA-N 349.044 5.230 0 50 EKAA CC(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 461244 KLTIQYASCVNSIT-UHFFFAOYSA-N 343.426 5.050 0 50 EKAA Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1F 15867103 FUVJVSZBXGMINQ-MRXNPFEDSA-N 332.444 5.345 0 50 EKAA O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1F 20435857 MVJDRDIIHFSHIL-UHFFFAOYSA-N 347.604 5.108 0 50 EKAA FC(F)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12 20605288 YHCBCRIUOZIVOB-UHFFFAOYSA-N 328.343 5.556 0 50 EKAA Clc1ccc(Cl)c(-c2nc3cc(-n4cccc4)ccc3o2)c1 226247831 ZAKSMOVROWOPNG-UHFFFAOYSA-N 329.186 5.592 0 50 EKAA CC[C@@H](Nc1cn(C)nc1C1CC1)c1ccc(Oc2ccccc2)cc1 2325822134 FPWAAMPBYRDTSL-HXUWFJFHSA-N 347.462 5.653 0 50 EKAA O=C(Cc1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 359053 UPJRHZNCSXPZSS-UHFFFAOYSA-N 330.214 5.328 0 50 EKAA CCCn1nc(C)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 20615800 UGCIDKZLNQPJGS-UHFFFAOYSA-N 335.785 5.408 0 50 EKAA O=C(O)CCCCCCCCCCCCCCCCCCCCO 33820337 NENJNFMRWQAPAC-UHFFFAOYSA-N 342.564 6.475 0 50 EKAA biogenic,in-vitro C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)C(c3cccnc3)=CC[C@H]12 254095672 GZOSMCIZMLWJML-MBRXSVICSA-N 349.518 5.399 0 50 EKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 254095673 GZOSMCIZMLWJML-XXQYMAHKSA-N 349.518 5.399 0 50 EKAA O=C(CCC1CCCCC1)Nc1ccc(-c2nc3ccccc3o2)cc1 614051 QXZPRRAVOSYJAN-UHFFFAOYSA-N 348.446 5.794 0 50 EKAA CN(C)CCNc1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 4541724 IVTYDHXGFBOASK-UHFFFAOYSA-N 347.506 5.173 0 50 EKAA Cc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1 16972262 ZGNLATXGUPVVDZ-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA Fc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1F 17068498 HENKVBUDOQDRDP-UHFFFAOYSA-N 333.190 5.081 0 50 EKAA Cc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)s1 19323734 IYYJKTNSUICJAS-UHFFFAOYSA-N 348.515 5.073 0 50 EKAA Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)nc2ccccc12 72240721 FNHWQFPTFKGZBJ-UHFFFAOYSA-N 337.732 5.354 0 50 EKAA O=C(Nc1ccccc1Cl)c1c(-c2ccccc2)ccnc1Cl 1857801009 ZKERHSLNRSKJGT-UHFFFAOYSA-N 343.213 5.308 0 50 EKAA Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1C 117232 YZJWLBDHICWFGJ-UHFFFAOYSA-N 329.399 5.180 0 50 EKAA Fc1cc(F)c(Nc2nccc3ccccc23)c(Br)c1 407601 YJFVOYUHJJVTCB-UHFFFAOYSA-N 335.151 5.019 0 50 EKAA O=C(c1ccco1)c1cn(Cc2ccccc2Cl)c2ccccc12 560587 NIMITGGTERMEGT-UHFFFAOYSA-N 335.790 5.167 0 50 EKAA Clc1ccccc1-c1nc2ccccc2n1CCOc1ccccc1 617819 YTMYHJFMXJXWCK-UHFFFAOYSA-N 348.833 5.436 0 50 EKAA c1ccc2c(Oc3ncnc4sc5c(c34)CCCCC5)cccc2c1 1895254 QFTUZEYEALRERF-UHFFFAOYSA-N 346.455 5.906 0 50 EKAA CCCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 2088391 WTMYSOIUNVSKQU-UHFFFAOYSA-N 341.794 5.042 0 50 EKAA CCCCn1c2ccccc2c2nnc(SCc3ccccc3)nc21 4748286 GHLBQBUUEBENOF-UHFFFAOYSA-N 348.475 5.072 0 50 EKAA Cc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 9088487 XKGQQLOPFWROBN-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA FC(F)(F)c1cccc(COc2ccc(Br)cc2)c1 20298237 WRKZMCJGHQDNHS-UHFFFAOYSA-N 331.131 5.047 0 50 EKAA C[C@@H]1CCC[C@@H](C)N1CCCC(O)(C1CCCCC1)C1CCCCC1 96027836 VKBKFFGANFYBAI-WOJBJXKFSA-N 349.603 5.921 0 50 EKAA CC(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 170629038 PPDFDSUQCMHLLB-ZNMIVQPWSA-N 333.438 5.030 0 50 EKAA CCC[C@H](Nc1c(C)nn(C)c1C)c1ccc(Oc2ccccc2)cc1 2325822452 YGUDVCILRDMMEO-NRFANRHFSA-N 349.478 5.783 0 50 EKAA O=C(CCc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 138878 JYEBIPLHJHMFDU-UHFFFAOYSA-N 342.398 5.066 0 50 EKAA CC(C)N(Cc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl 398194 CEPYUAWNMOYWEC-UHFFFAOYSA-N 337.250 5.436 0 50 EKAA C[C@@H]1CCC[C@@H](C)N1C(=O)c1sc2cc(Cl)ccc2c1Cl 2759573 YDCXGDQXCVNQGE-NXEZZACHSA-N 342.291 5.611 0 50 EKAA CC[C@@H](C)c1ccc(OCCSc2nc3ccccc3[nH]2)cc1 2994633 QQACTNVHHVUXQT-CQSZACIVSA-N 326.465 5.248 0 50 EKAA Clc1ccc(-c2csc3ncnc(N4CCCCC4)c23)cc1 4263722 RRMHMARSYQXSMI-UHFFFAOYSA-N 329.856 5.002 0 50 EKAA COc1ccc(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 4542471 JGAYVGGTBYDENO-UHFFFAOYSA-N 344.720 5.011 0 50 EKAA CC(C)c1ccc([C@@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 8969825 VWNUUQQPPABHQK-IBGZPJMESA-N 334.488 5.098 0 50 EKAA Cc1ccc(CO[C@@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@@H]23)c(C)c1 252427802 GOYSMGSBVGBIAH-WQANXHIZSA-N 334.912 5.391 0 50 EKAA O=C(NCc1ccccc1Cl)c1sc2ccccc2c1Cl 610833 LEWNFIDFDRKNBY-UHFFFAOYSA-N 336.243 5.138 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1ccccc1 618316 NDWMXZQIYCMGFU-UHFFFAOYSA-N 341.332 5.625 0 50 EKAA O=C(Nc1ccc(Cl)cc1)N1CCSc2cc(Cl)ccc21 3016127 UVVGXPFNNMDNSR-UHFFFAOYSA-N 339.247 5.138 0 50 EKAA C[C@H](NCCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 4072734 SGJIAONRKNJBFZ-SFHVURJKSA-N 333.450 5.699 0 50 EKAA Cc1cccc(Oc2ncnc3sc(C)c(-c4ccccc4)c23)c1 4184336 BIXHGLISVUBFAP-UHFFFAOYSA-N 332.428 5.767 0 50 EKAA Cc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1C 13329935 QDVYNNYLIFJAJO-GFCCVEGCSA-N 337.250 5.493 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c(Cl)c1 36620901 VDOHAYXPZDOAOZ-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA CCC[C@@H](NCC[C@@H](O)CC)c1ccc(Oc2ccccc2)cc1 2325822459 YQOLQDDCYVLWOP-GHTZIAJQSA-N 327.468 5.071 0 50 EKAA O=C(Nc1cccc(F)c1)c1cc(-c2ccccc2)nc2ccccc12 445462 CVXMDUBAPSSLGD-UHFFFAOYSA-N 342.373 5.293 0 50 EKAA CCC(CC)C(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C 2291002 VYBFFTOERBODNM-XMMPIXPASA-N 349.518 5.944 0 50 EKAA C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1cccc2ccccc12 2875298 QMXPZEAUGBFPEU-LLVKDONJSA-N 345.776 5.262 0 50 EKAA O=C(NC1CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 16156560 XYQLAMINEPFSPJ-XDJHFCHBSA-N 339.866 5.330 0 50 EKAA CCCC[C@H](CC)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 25756953 CEEDFYRUPAWDOU-OLZOCXBDSA-N 347.282 5.520 0 50 EKAA in-vitro Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 64985102 FMJKZPNFMYDYLG-INIZCTEOSA-N 347.846 5.129 0 50 EKAA CC(=O)c1cccc(NC(=O)C2[C@@H]3CCC=CCCC=CCC[C@@H]23)c1 252593361 BJQOSONJQCUKEY-OSBQEZSISA-N 337.463 5.157 0 50 EKAA c1ccc(-c2sc(-c3cnn(-c4ccccc4)c3)nc2C2CC2)cc1 1875289222 ZBRCYWQEKGJGRP-UHFFFAOYSA-N 343.455 5.540 0 50 EKAA CCC[C@H](N[C@H]1CCO[C@@H]1C)c1ccc(Oc2ccccc2)cc1 2325822319 QDXYVNCTOZGMEK-CZAAIQMYSA-N 325.452 5.087 0 50 EKAA CCCc1ccc(Oc2coc3c(C)c(OCC)ccc3c2=O)cc1 189827 QQIPLPFIOKVAFU-UHFFFAOYSA-N 338.403 5.245 0 50 EKAA biogenic O=c1oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 278742 RBAALAZXNFMENF-UHFFFAOYSA-N 339.803 5.237 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)c1cccc(Cl)c1Cl 392970 VMZJOQPKXQQWCJ-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C)c1 450954 PFOOURVYPSMVTC-UHFFFAOYSA-N 325.795 5.469 0 50 EKAA Cc1ccc(SCC(=O)c2sc(-c3ccccc3)nc2C)cc1 1390117 SDDVSWRPHZXCMK-UHFFFAOYSA-N 339.485 5.402 0 50 EKAA Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 2879904 VJFPDHCZDYCMAO-KRWDZBQOSA-N 346.430 5.145 0 50 EKAA Cc1cccc(NC(=O)c2sc3ccccc3c2Br)c1 4542602 UWDXCDUCUWHXDL-UHFFFAOYSA-N 346.249 5.225 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)c1ccc(Br)cc1 140349 MNTOGYNAHBYUAE-UHFFFAOYSA-N 332.241 5.133 0 50 EKAA COc1ccc(NC(=O)N(C2CCCCC2)C2CCCCC2)cc1 396226 IUGNZHJVBOLBEF-UHFFFAOYSA-N 330.472 5.195 0 50 EKAA O=C(Nc1cc(F)ccc1F)c1sc2cc(F)ccc2c1Cl 2764494 PIAWCWHHOZDPDG-UHFFFAOYSA-N 341.741 5.224 0 50 EKAA CN(C(=S)Oc1ccc2ccccc2c1)c1cccc2ccccc12 31484163 ULKCSVORYFKCRE-UHFFFAOYSA-N 343.451 5.793 0 50 EKAA CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2C)c(O)c1 39286460 OTPOYNIGJRTIFG-YVWKXTFCSA-N 332.528 5.905 0 50 EKAA CCOc1ccc(-c2nc3ccccc3n2Cc2ccc(C)cc2)cc1 1857525999 KZHSJUWDIIAGFQ-UHFFFAOYSA-N 342.442 5.459 0 50 EKAA Cc1cc(OCc2cccc3ccccc23)c2c(C)cc(=O)oc2c1 608912 JLWMJXXCSRFVDH-UHFFFAOYSA-N 330.383 5.142 0 50 EKAA biogenic Cc1ccccc1NC(=S)Nc1ccccc1Oc1ccccc1 619728 CGEHPXLPBRJMTC-UHFFFAOYSA-N 334.444 5.596 0 50 EKAA CC(C)(C)c1ccc(-c2nc3sc4c(c3c(=O)o2)CCCC4)cc1 2060180 CEFZVPCTXQSWKB-UHFFFAOYSA-N 339.460 5.093 0 50 EKAA CCCOc1ccc(C(=O)CCNc2ccc(C)c(Cl)c2)cc1 2875687 LWICIUXSYAKXRD-UHFFFAOYSA-N 331.843 5.122 0 50 EKAA aggregator CC(C)c1ccc(O)c(-c2nc([C@H](c3ccccc3)C(C)C)no2)c1 1875335968 NTCDZVOYDDROHN-IBGZPJMESA-N 336.435 5.354 0 50 EKAA CCCCCCc1cc2c(=O)c(-c3ccccc3)coc2cc1OC 2109078 GIHIUSNXNUEOOI-UHFFFAOYSA-N 336.431 5.591 0 50 EKAA biogenic Cc1ccc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2n1 2543405 OICLAXMNSFOECT-UHFFFAOYSA-N 338.716 5.403 0 50 EKAA C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 2552542 SSSGJHLVROVTDO-ZWNOBZJWSA-N 338.234 5.281 0 50 EKAA O=C(/C=C/c1cc(-c2ccccc2)cs1)Nc1cccc(Cl)c1 4542090 BCBPKFKEKOTBGO-MDZDMXLPSA-N 339.847 5.720 0 50 EKAA Clc1ccc(COc2ccccc2Br)cc1Cl 20298106 AFJOJSPBFFMACK-UHFFFAOYSA-N 332.024 5.335 0 50 EKAA in-vitro CCOc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 1057143 LKDPLAJQZATORY-UHFFFAOYSA-N 349.455 5.489 0 50 EKAA O=C(CCc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 2842901 YHQJCKQKSZFFOK-UHFFFAOYSA-N 347.483 5.550 0 50 EKAA O=C(Nc1cccc2ccccc12)O[C@@H](c1ccccc1)C(F)(F)F 5774857 WOXMQTNHSRLBOB-KRWDZBQOSA-N 345.320 5.692 0 50 EKAA CCCc1cc(-c2n[nH]c(=S)n2[C@H](C)c2ccccc2)cs1 6493362 CAWOEGSOGDTGOS-GFCCVEGCSA-N 329.494 5.231 0 50 EKAA O=S(=O)(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 227155629 JERILMFXDAGTBH-OUKQBFOZSA-N 344.819 5.045 0 50 EKAA CCOc1ccccc1NC(=O)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 252320695 MAXNMPDTIHONSU-PEHNBRFBSA-N 339.479 5.353 0 50 EKAA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1 38194 ZBEOWTPZHYKKTF-UHFFFAOYSA-N 330.431 5.082 0 50 EKAA Cc1ccc(Nc2ncnc3ccc(Br)cc23)cc1Cl 99085 LSRTVWHUWDHCFA-UHFFFAOYSA-N 348.631 5.098 0 50 EKAA c1ccc(-c2nnc(SC3CCCC3)nc2-c2ccccc2)cc1 124418 FNDLTAXEBGZEDM-UHFFFAOYSA-N 333.460 5.240 0 50 EKAA CCCCCSc1nc2ccccc2c(=O)n1C1CCCCC1 2117783 QBPDFQVCQUEUNQ-UHFFFAOYSA-N 330.497 5.184 0 50 EKAA Fc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)c(F)c1 17068500 GSVPCJYCAIMNJB-UHFFFAOYSA-N 333.190 5.081 0 50 EKAA Cc1ccc(C)c(NC(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1 35561634 AEQHEJCWLYUNFT-FQEVSTJZSA-N 340.442 5.592 0 50 EKAA C[C@H]1C[C@@H](CNc2ccc(Oc3ccc(Cl)cc3)cc2)CCO1 2325864192 INAYCEGQHIGIPK-GJZGRUSLSA-N 331.843 5.359 0 50 EKAA C(=C/c1ccccc1)\Cn1c(COc2ccccc2)nc2ccccc21 99460 CHTDLPWQMXZQLO-FMIVXFBMSA-N 340.426 5.329 0 50 EKAA O=C(Nc1cccc(Cl)c1Cl)Nc1cccc2ccccc12 395081 SIZSFSJYRJHMMG-UHFFFAOYSA-N 331.202 5.791 0 50 EKAA Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1C 396753 VZSZQHIQEBFQCB-UHFFFAOYSA-N 344.458 5.538 0 50 EKAA COc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1 1466415 WYDYQNALYUUQQP-UHFFFAOYSA-N 332.428 5.716 0 50 EKAA O=C(Nc1ccccc1F)c1sc2cc(Cl)ccc2c1Cl 2766868 ZYQOSFUBWGAKHS-UHFFFAOYSA-N 340.206 5.600 0 50 EKAA c1ccc(C/N=c2/scc(-c3cccs3)n2-c2ccccc2)cc1 16740118 YHCWLODAGQQOPJ-QZQOTICOSA-N 348.496 5.368 0 50 EKAA CCCC[C@@H](CC)COc1ccc(C(=O)c2ccccc2)c(O)c1 31622586 SLXIKWJMGICOAO-MRXNPFEDSA-N 326.436 5.218 0 50 EKAA Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)c1 36620462 ABSVZEYWACCZBB-GOSISDBHSA-N 328.843 5.326 0 50 EKAA COc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)cc2)c1 64984525 ANSLBADRFZTVJY-HXUWFJFHSA-N 338.451 5.153 0 50 EKAA F[B-]1(F)N2C(=CC3=[N+]1c1cccc4cccc3c14)C=Cc1ccccc12 685944565 MKTUXKBMPQBXMU-UHFFFAOYSA-N 342.157 5.092 0 50 EKAA CC[C@@]1(C(C)C)C[C@H]1C(=O)Nc1ccccc1OCC1CCCCC1 1875357862 ZMCBTGRIBRYVDW-AVRDEDQJSA-N 343.511 5.657 0 50 EKAA COc1ccccc1CCCN[C@@H](CC(C)C)c1ccccc1C 2325841759 FPEFSBYFVOULMU-NRFANRHFSA-N 325.496 5.313 0 50 EKAA O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1F 91260 DAIYDUOWGGOMIC-UHFFFAOYSA-N 333.362 5.092 0 50 EKAA Cc1cccc(COc2cc3oc(=O)c(Cl)c(C)c3cc2Cl)c1 434758 SZWXKSDQAPOMRC-UHFFFAOYSA-N 349.213 5.296 0 50 EKAA O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1Cl 450062 RKXMZXRVLBVRAQ-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA CC(C)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1227752 QIVBGODVCXMBNC-UHFFFAOYSA-N 329.443 5.581 0 50 EKAA FC(F)(F)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 1384056 ALASZAIAGVQNFJ-UHFFFAOYSA-N 345.151 5.410 0 50 EKAA CC[C@H](C)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2846037 WUVBHOXSNVWHAY-QMMMGPOBSA-N 343.295 5.148 0 50 EKAA CCSc1ccccc1C(=O)Nc1ccccc1C(F)(F)F 4738949 KUTWAYOYJRMVCL-UHFFFAOYSA-N 325.355 5.070 0 50 EKAA CC(C)c1cc(N[C@@H](C)c2ccccc2C(F)(F)F)n2nccc2n1 72143372 MDHXLIZTBPRVJU-LBPRGKRZSA-N 348.372 5.045 0 50 EKAA CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=O)C(C)(C)C 144983579 ODFOPGYFSLHCQS-OALUTQOASA-N 325.581 6.294 0 50 EKAA Clc1ccc(C2=N[C@H](c3ccccc3)N3[C@H]2[C@@H]3c2ccccc2)cc1 254507772 JTMWJVWEVLMMNX-QDRPFKOJSA-N 344.845 5.267 0 50 EKAA CCc1c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)csc1C 373555 IGIUVQLBSSMLMV-UHFFFAOYSA-N 347.789 5.543 0 50 EKAA O=C(Cc1ccc(F)cc1)Nc1ccccc1Sc1ccccc1 1056969 IONINCKATSBWFT-UHFFFAOYSA-N 337.419 5.158 0 50 EKAA CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1 1568759 MDNMMSIRZVACNT-UHFFFAOYSA-N 344.502 6.036 0 50 EKAA Cc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1C 2521001 SUHDOPKAQWENOB-UHFFFAOYSA-N 329.443 5.655 0 50 EKAA Cc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cc1C 2741023 BFOPGXWSOKADSF-UHFFFAOYSA-N 345.368 5.148 0 50 EKAA CC(C)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 2849601 HQEYWLJMKZBNBR-JOCHJYFZSA-N 329.443 5.481 0 50 EKAA COc1ccc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2cccs2)cc1 5059073 NWVLFGNAXMUFOU-HXUWFJFHSA-N 348.471 5.421 0 50 EKAA CCCCc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 6043182 GFOAHNCBCMOKLD-UHFFFAOYSA-N 339.822 5.596 0 50 EKAA CCC[C@@H](N[C@@H](C)c1ccccc1)c1ccc(Oc2ccccc2)cc1 2325822181 HFJNLNSSJQACJC-YADARESESA-N 345.486 6.671 0 50 EKAA CCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc12 71152 QQMCAYGHGUDQFC-UHFFFAOYSA-N 325.795 5.040 0 50 EKAA O=C(CCSc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 2531711 FMAHKKXXRVYKRF-UHFFFAOYSA-N 345.678 6.012 0 50 EKAA O=C1OC(c2ccccc2)(c2ccccc2)C(Cl)=C1c1ccccc1 2546502 BFBDIPDGRLAZDF-UHFFFAOYSA-N 346.813 5.137 0 50 EKAA CCCC1CCC(c2ccc(-c3nc(-c4cccnc4)no3)cc2)CC1 2855323 QIROEDBJBNRWPP-UHFFFAOYSA-N 347.462 5.873 0 50 EKAA c1ccc2c(c1)CCCN2c1nc(-c2c[nH]c3ccccc23)cs1 2881413 PEULKRYAANXJNP-UHFFFAOYSA-N 331.444 5.376 0 50 EKAA CCCc1nc2sc(-c3ccccc3)c(-c3ccccc3)c2c(=O)o1 2998129 IZLYASYLHLWVBC-UHFFFAOYSA-N 347.439 5.536 0 50 EKAA c1ccc(Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 5162481 OCQFHFNWMCLWKC-UHFFFAOYSA-N 336.438 6.900 0 50 EKAA in-vitro CCc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 15010979 DZKRWVIZZWWKBC-WJDWOHSUSA-N 343.835 5.143 0 50 EKAA Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1Nc1ccccc1 145907223 USTXPBYMOJRABI-UHFFFAOYSA-N 339.413 6.903 0 50 EKAA O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 106523 NXEAPPGVYKYWEW-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA O=Cc1c(-c2ccc3ccccc3c2)oc2c1cc(O)c1ccccc12 333975 RCMXWTNCYUXKQL-UHFFFAOYSA-N 338.362 5.924 0 50 EKAA CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(Cl)cc1C 463490 JFGMYZCPDLZARW-CYBMUJFWSA-N 331.843 5.179 0 50 EKAA C[C@@H]1C[C@@H](C)CN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 4989350 BLXRGGUYLQLXBJ-HZPDHXFCSA-N 329.871 5.610 0 50 EKAA Cc1cc(Nc2cccc(Cl)c2)n2ncc(-c3ccccc3)c2n1 5324541 NGELDOCOYSLCFM-UHFFFAOYSA-N 334.810 5.102 0 50 EKAA O=C(Cc1sc2ccccc2c1Cl)Nc1ccc(Cl)cc1 45068761 BYMQEQFQMMNLPG-UHFFFAOYSA-N 336.243 5.389 0 50 EKAA CC(C)(C)c1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1 100697964 YSRSPEXTCODDAD-UHFFFAOYSA-N 336.475 5.737 0 50 EKAA Oc1ncc(-c2ccc(-c3ccnc4c(F)ccc(F)c34)cc2)s1 1875330234 TZVLIROQLJHNDZ-UHFFFAOYSA-N 340.354 5.009 0 50 EKAA COc1cc(Cl)c(C)cc1NC(=O)c1cc(Cl)ccc1Cl 472121 CNQYTAWKSBZGLX-UHFFFAOYSA-N 344.625 5.216 0 50 EKAA CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 505756 OSAHTLQFJCJIKL-GFCCVEGCSA-N 335.806 5.010 0 50 EKAA Cc1cc(C)c2c(C)c(C(=O)Nc3cccc(Cl)c3C)oc2c1 1057190 XJWBYMRJXWZLMH-UHFFFAOYSA-N 327.811 5.572 0 50 EKAA O=C(CCNc1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 2520611 YZUJGGJOGVAPMD-UHFFFAOYSA-N 325.427 5.558 0 50 EKAA O=C(CCCOc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 2838834 GADHSOFRBUKLSH-UHFFFAOYSA-N 347.414 5.277 0 50 EKAA COc1ccccc1OCCCCOc1c(Cl)cccc1Cl 2904112 JEYULNOBLVHVTF-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA CC1=CC[C@H](c2cnc(-c3ccccc3)c(C)c2)N[C@H]1c1ccccc1 3877680 BFOABBHAZZULHP-ISKFKSNPSA-N 340.470 5.779 0 50 EKAA COc1cccc(OCCCOc2c(C)cc(Cl)cc2Cl)c1 4702030 UDVAIJBAMKGWRU-UHFFFAOYSA-N 341.234 5.158 0 50 EKAA COc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 152230 OXTHFCVLLNTNRZ-UHFFFAOYSA-N 331.824 5.148 0 50 EKAA Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)cc1 617352 VDHOLHJJZPECIN-UHFFFAOYSA-N 333.435 5.102 0 50 EKAA Cc1ccc(C(=O)c2cccc(C(=O)c3ccc(C)c(C)c3)c2)cc1C 2897461 PSGOXWVPYKKUBA-UHFFFAOYSA-N 342.438 5.382 0 50 EKAA c1ccc(-c2ccc(OCCCCSc3ncccn3)cc2)cc1 5013301 RKSFEEHIGQFSBC-UHFFFAOYSA-N 336.460 5.095 0 50 EKAA CCCCP(=O)(CCCC)CP(=O)(CCCC)CCCC 5298500 HTUCEFSAPPAABU-UHFFFAOYSA-N 336.437 6.871 0 50 EKAA Clc1cccc(Cl)c1-c1csc(NCc2ccccc2)n1 307340103 IRXXGSBLCJTJGJ-UHFFFAOYSA-N 335.259 5.729 0 50 EKAA CC[C@]1(C(C)C)C[C@H]1C(=O)Nc1ccccc1OCC1CCCCC1 1875357864 ZMCBTGRIBRYVDW-PGRDOPGGSA-N 343.511 5.657 0 50 EKAA CC1(C)C[C@H](CNc2ccc(Oc3ccc(Cl)cc3)cc2)CCO1 2325864457 PCUQODCBVPZAMO-OAHLLOKOSA-N 345.870 5.749 0 50 EKAA Cc1ccc(-c2sc3nc(-c4ccccc4)ccc3c2N)c(C)c1 84206 DPVGASPKOOCWKL-UHFFFAOYSA-N 330.456 5.829 0 50 EKAA Cc1ccc(Cl)cc1N[P@](C)(=O)Oc1ccc(C(C)C)cc1 288779 ISPUACFRPNZLFZ-JOCHJYFZSA-N 337.787 6.086 0 50 EKAA COc1ccc(Cc2nc3ccccc3n2[C@@H](C)c2ccccc2)cc1 572483 POQCORVZVQNZNG-KRWDZBQOSA-N 342.442 5.245 0 50 EKAA Cc1ccc(C)c(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)c1 15866995 CMLDZTHOTXPEOI-GOSISDBHSA-N 342.508 5.823 0 50 EKAA Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3c3ccccn3)cc2)o1 72472805 OYTAAWMTIUICJA-FQEVSTJZSA-N 346.430 5.017 0 50 EKAA CC(C)(C)C[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccc(F)cc1 1875306768 OWTBNCUNSKHGOP-RBUKOAKNSA-N 349.877 5.280 0 50 EKAA COc1cc(C(=O)O[C@H](C)CC(C)(C)C)ccc1OCCC(C)C 1875357658 PXOBIXXTAIMTJL-OAHLLOKOSA-N 336.472 5.102 0 50 EKAA C=CC(=O)N1c2c(C)cccc2-c2c(ssc2=S)C1(C)C 173831 JQOUQDHRCWUFQC-UHFFFAOYSA-N 333.503 5.282 0 50 EKAA O=C(/C=C/c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 474657 QAPNLRUYKZYGOE-FPYGCLRLSA-N 343.707 5.150 0 50 EKAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 2882241 AILVURWXCOPDFD-GFCCVEGCSA-N 335.806 5.010 0 50 EKAA CC1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 4854024 RREIPSJJKAHKSY-MRXNPFEDSA-N 347.245 5.273 0 50 EKAA CCOc1cc(C=O)ccc1OC[C@]12C[C@@H](C)C[C@H](C[C@@H](C)C1)C2 245265361 GKTRPNDNNNRIIW-KCVSJXJQSA-N 330.468 5.129 0 50 EKAA Cc1c(Cl)cccc1NC(=O)Oc1cc(Cl)ccc1Cl 398416 MJWVXASNWGNFSS-UHFFFAOYSA-N 330.598 5.566 0 50 EKAA C[C@@H](COc1ccccc1)NCCC(c1ccccc1)c1ccccc1 4072762 GFWJCFAPTWEPSE-FQEVSTJZSA-N 345.486 5.266 0 50 EKAA Cc1c(Cl)cccc1Nc1nc(C(F)(F)F)nc2ccccc12 72240718 TXEPAFOXJIQHAT-UHFFFAOYSA-N 337.732 5.354 0 50 EKAA CN(C)CCCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 96026564 CJINCAOAQFKNLA-UHFFFAOYSA-N 338.278 5.051 0 50 EKAA Cc1ccn2c(Nc3ccc(C(C)C)cc3)c(-c3ccsc3)nc2c1 427504 XBWYFYDBIICMIS-UHFFFAOYSA-N 347.487 6.238 0 50 EKAA Cc1ccc(C(C)(C)C[C@@H](C)NCc2cccc(C(F)(F)F)c2)o1 4442811 YLVMPFPAOKYUPV-CYBMUJFWSA-N 339.401 5.453 0 50 EKAA O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)cc1 5675868 CGXKRYXEHLHHFC-UHFFFAOYSA-N 348.185 5.005 0 50 EKAA CC1(C)C(C(=O)c2cn(CCCCCF)c3cc(O)ccc23)C1(C)C 96024577 OZGNIKIHSWKZFS-UHFFFAOYSA-N 345.458 5.352 0 50 EKAA in-vitro O=C(Nc1cccc2ccccc12)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 245238345 LDWOCVLKNFPNQW-DSEAPNAUSA-N 345.486 6.107 0 50 EKAA C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1csc(C2CCCCC2)c1 2325840872 VGTFVQUITVOVSX-HZPDHXFCSA-N 341.520 5.718 0 50 EKAA CCN(C(=O)c1sc2cc(OC)ccc2c1Cl)c1ccccc1 108933 TZGVLICMLCACTO-UHFFFAOYSA-N 345.851 5.230 0 50 EKAA Clc1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)cc1 112188 WYYZUIDLXVGQJS-UHFFFAOYSA-N 335.794 5.155 0 50 EKAA O=C(Nc1cccc(F)c1)c1ccc(-c2ccccc2C(F)(F)F)o1 2876283 RPSUIZACPNBTRM-UHFFFAOYSA-N 349.283 5.357 0 50 EKAA COc1ccccc1OCCCCOc1cccc(Cl)c1Cl 2904736 KLTQMLIGJOGTRQ-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA COc1cc(C)ccc1OCCCOc1c(Cl)cccc1Cl 4701769 VZRDQPMPKAEJBH-UHFFFAOYSA-N 341.234 5.158 0 50 EKAA Cc1ccc(Cl)cc1NC(=S)Nc1ccccc1C(F)(F)F 17071939 BECOIARMFRAMFG-UHFFFAOYSA-N 344.789 5.476 0 50 EKAA O=C(c1ccccc1)[C@@]12CC=CC[C@]1(C(=O)c1ccccc1)CCCC2 43761801 JFKASSMDNNXARQ-PSWAGMNNSA-N 344.454 5.649 0 50 EKAA CCc1ccccc1NC(=O)N1CCCCC[C@H]1c1cccc(C)c1 64984805 PFSCCOVEBMEMJK-NRFANRHFSA-N 336.479 5.707 0 50 EKAA COc1ccccc1NC(=O)c1cc2sc3ccccc3c2s1 477045 OSKMRBWPGVREOL-UHFFFAOYSA-N 339.441 5.377 0 50 EKAA Fc1ccc(Nc2nc(/C=C/c3ccccc3)nc3ccccc23)cc1 4700908 BZZZLEYBPNDYDV-XNTDXEJSSA-N 341.389 5.683 0 50 EKAA CCC[C@H](Nc1cn(C)nc1CC)c1ccc(Oc2ccccc2)cc1 1875342640 AODKQLAXBJZDPU-NRFANRHFSA-N 349.478 5.728 0 50 EKAA c1ccc([C@@H]2CCC[C@@H]2CNCc2cccc(CC3CCC3)c2)cc1 2325842328 VBESAZCNINJBPX-RPWUZVMVSA-N 333.519 5.703 0 50 EKAA Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1Cl 171346 SJAQDLVNCBVLDF-UHFFFAOYSA-N 346.139 5.030 0 50 EKAA CCc1cc2c(=O)c(Oc3ccccc3)c(C)oc2cc1OC(C)C 189819 AKVWAWQQMPLTTC-UHFFFAOYSA-N 338.403 5.243 0 50 EKAA biogenic CCOc1ccc(C(=O)Nc2ccccc2[C@H](C)CC)cc1Cl 465395 BDIMCPQZDNWMMF-CYBMUJFWSA-N 331.843 5.505 0 50 EKAA C/C=C/c1ccc(OCCOc2cccc3ccc(C)nc23)c(OC)c1 2823434 VJAMDVFBVLMJPJ-GQCTYLIASA-N 349.430 5.043 0 50 EKAA CCCN(CCC)CCCCOC(c1ccccc1)c1ccccc1 71769273 AESRVTFTYFCFCB-UHFFFAOYSA-N 339.523 5.695 0 50 EKAA Clc1ccc(Oc2ccc(NC[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 2325863974 BSVCNPIPTNKPHW-HRCADAONSA-N 327.855 5.980 0 50 EKAA CCCC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C 444575 KLNNITUKBWUDDA-UHFFFAOYSA-N 328.799 5.195 0 50 EKAA O=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1Cl 449250 LGIWMSUOLDKNHH-UHFFFAOYSA-N 346.213 5.164 0 50 EKAA CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 610272 XWYKFWSGFSGRIJ-UHFFFAOYSA-N 325.195 5.036 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1 613788 PKBVQIUGBUHFPL-UHFFFAOYSA-N 337.806 5.693 0 50 EKAA Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1Cl 2165523 BNJNWLHNGDJJAK-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 2879905 VJFPDHCZDYCMAO-QGZVFWFLSA-N 346.430 5.145 0 50 EKAA COc1ccccc1OCCCCOc1cc(Cl)ccc1Cl 2984794 OPXKCGATZHPGHW-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 4996572 KVQDXCHDMWTHJD-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA Cc1cc(C(=O)C(=C2SCS2)c2ccncc2)ccc1Cl 34570608 VFEJPRBACBWSOQ-UHFFFAOYSA-N 333.865 5.032 0 50 EKAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)cc1 64984590 QLYWYEUCICSDNC-NRFANRHFSA-N 336.479 5.761 0 50 EKAA O[C@@H](C[C@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 169520493 IKORDPJNLNHIKI-SFTDATJTSA-N 337.850 5.617 0 50 EKAA CCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(OCCC)cc2)CC1 245189343 ZAUPPIHFDVKVJM-IYARVYRRSA-N 332.484 5.768 0 50 EKAA Fc1cc(-c2ccc(-c3cn4c(n3)SCC4)cc2)c2ncccc2c1 1506407368 RDVIKZGCUJAYJC-UHFFFAOYSA-N 347.418 5.010 0 50 EKAA Brc1ccc(CSc2nc3ccccc3s2)cc1 266924 FGZLUFYNFJLYFZ-UHFFFAOYSA-N 336.279 5.351 0 50 EKAA Cc1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 274889 JKSOEUOVKWKUMF-UHFFFAOYSA-N 327.431 5.005 0 50 EKAA Cc1c(F)cccc1NC(=O)c1ccccc1CCc1ccccc1 1426306 BIHUNCFEFUJSLK-UHFFFAOYSA-N 333.406 5.172 0 50 EKAA Cc1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2522205 DFQQSDGMBSGXHW-UHFFFAOYSA-N 342.653 5.640 0 50 EKAA Cc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)s1 2861989 BHNYGUQFERXDLE-UHFFFAOYSA-N 335.885 5.589 0 50 EKAA C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CC1=CCCCC1 2325817672 KQLCCHWMFDJQRL-GOSISDBHSA-N 333.475 5.291 0 50 EKAA O=C(NC1CCCCC1)c1ccc(COc2ccc3ccccc3c2)o1 115639 VILCSIGGGRAVCA-UHFFFAOYSA-N 349.430 5.074 0 50 EKAA Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 308964 OUIXDUHUTQYABI-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1ccc2oc(-c3cccc(NC(=O)Cc4cccs4)c3)nc2c1 463362 OPMWDIBAAWLKQY-UHFFFAOYSA-N 348.427 5.046 0 50 EKAA Cc1cc2nc(SC(c3ccccc3)c3ccccc3)[nH]c2cc1C 2181400 VVEMJPSSBVTXLW-UHFFFAOYSA-N 344.483 6.061 0 50 EKAA C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)(C)C 527685 UEQVFZKAEWNZPI-HNNXBMFYSA-N 332.447 5.066 0 50 EKAA Cc1ccccc1-c1nc(CN(C)[C@H](C)c2cccs2)c(C)o1 12052746 JYXVVXQYGPTZSC-CQSZACIVSA-N 326.465 5.213 0 50 EKAA CCCCC[C@H](O)/C=C/[C@H]1CC2CC(C2)[C@@H]1C/C=C\CCCC(=O)O 27642723 ZIWNJZLXPXFNGN-GXTQQWMXSA-N 348.527 5.347 0 50 EKAA in-vitro CC/C=C\CC(=O)/C=C/C=C\C/C=C\C/C=C\CCCCCC(=O)O 95644646 PWVSFTLICCBISU-UCMLWGQMSA-N 344.495 5.952 0 50 EKAA in-vitro Cc1c(CNc2nc(C(F)F)nc3ccccc23)oc2ccccc12 170627323 LKQJUKLLGFRPJC-UHFFFAOYSA-N 339.345 5.234 0 50 EKAA CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 462340 KIVPNHDHWZFGGN-UHFFFAOYSA-N 336.262 5.434 0 50 EKAA CN1[C@H](c2ccccc2)CC(O)(c2ccccc2)C[C@H]1c1ccccc1 3082426 MQPSFALRBZMFQW-GOTSBHOMSA-N 343.470 5.082 0 50 EKAA CCCCCn1cc(C(=O)Cc2ccc(OC)cc2)c2ccccc21 28459373 KQRKUKYSZPHOKC-UHFFFAOYSA-N 335.447 5.266 0 50 EKAA in-vivo Brc1cccc2c1sc1c(Br)cccc12 33798280 ULGFJZPCGNTWFK-UHFFFAOYSA-N 342.055 5.580 0 50 EKAA in-vitro O=C(Nc1ccccc1O)N1c2ccccc2Sc2ccccc21 135636 QTIPDJQWFCESPB-UHFFFAOYSA-N 334.400 5.227 0 50 EKAA Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1 241318 DCSPYNMVWABAPD-UHFFFAOYSA-N 344.439 5.085 0 50 EKAA CC(C)N(C(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)C 311086 LXECNSUVDZQPHW-UHFFFAOYSA-N 332.447 5.161 0 50 EKAA Cc1cc(C)cc(NC(=O)c2ccccc2SCc2ccccc2)c1 313123 IQCLWGXRACDSFV-UHFFFAOYSA-N 347.483 5.848 0 50 EKAA CC(=O)CCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12 2518786 QQCQDPOWWPHOQQ-UHFFFAOYSA-N 334.202 5.323 0 50 EKAA COc1ccc(CC[C@@H](C)NC(c2ccccc2)c2ccccc2)cc1 2894031 YKFBBRHFWPWXRS-LJQANCHMSA-N 345.486 5.396 0 50 EKAA CCCCP(=O)(CCCC)COc1ccc(Br)cc1 22780968 VMGDBQCBCYMYLJ-UHFFFAOYSA-N 347.233 5.749 0 50 EKAA Cc1[nH]c2ccccc2c1C(=O)C(c1ccccc1)c1ccccc1 71770199 ODCCKDFIPROZFD-UHFFFAOYSA-N 325.411 5.491 0 50 EKAA CC(F)(F)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 257345907 MVEPLWKMZCHUJS-AAUPXZFASA-N 338.482 5.870 0 50 EKAA c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1 85434 CGLIDRNLWKCDLU-UHFFFAOYSA-N 348.409 5.125 0 50 EKAA aggregator Cc1cccc(Oc2ccc(NC(=O)Cc3ccccc3)cc2)c1C 318744 UPVGMFZUKKQMQQ-UHFFFAOYSA-N 331.415 5.277 0 50 EKAA C[C@@H](c1ccccc1)[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 393315 LZDXXRGGXGHELT-UWJYYQICSA-N 336.456 5.005 0 50 EKAA C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 860165 XEJZMNLVHOHVNJ-LLVKDONJSA-N 341.760 5.491 0 50 EKAA O=C(c1ccc(Cl)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 1382872 XJKMUAOIBCQARE-KBPBESRZSA-N 325.622 5.633 0 50 EKAA CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1cccnc1 2388431 LTYFHISWXIVMKT-SFHVURJKSA-N 348.383 5.235 0 50 EKAA Cc1cc(C)c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(C)c1 2749230 SNBJEAZJJBSTDU-CJLVFECKSA-N 341.454 5.791 0 50 EKAA CO[C@@H](C)c1cccc(NC(=O)c2cccc(-c3ccccn3)c2C)c1 132516793 SYODDHPGCZFLJB-INIZCTEOSA-N 346.430 5.017 0 50 EKAA CCCCCc1ccc(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 245189305 PBPUQRRUUZVBDJ-AQYVVDRMSA-N 334.547 7.770 0 50 EKAA C/C=C/c1ccc(OCCCCOc2ccccc2CC)c(OC)c1 2994710 FSOUHFGLYKTGKM-ONNFQVAWSA-N 340.463 5.529 0 50 EKAA CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4cccs4)oc(=O)c23)C1 304530 LPWBFEIYYOHZON-SNVBAGLBSA-N 345.489 5.129 0 50 EKAA Clc1ccc(OCCn2c(-c3ccco3)nc3ccccc32)cc1 572368 PWVZMNQKHOKJHG-UHFFFAOYSA-N 338.794 5.029 0 50 EKAA CCCCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 1865921 CFRYLAPBKHWTKC-UHFFFAOYSA-N 332.831 5.553 0 50 EKAA CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1ccc1ccccc21 2057296 HTHAHKNMFYOGNS-IBGZPJMESA-N 331.415 5.103 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)CC3CCCCC3)ccc21 2984590 QYWZBTHPGJJJSY-UHFFFAOYSA-N 334.463 5.723 0 50 EKAA Cc1cc(Cl)ccc1OCCCCOc1cccc2cccnc12 2991330 PRLIUHPXMDSYBW-UHFFFAOYSA-N 341.838 5.435 0 50 EKAA O=C(CCC1CCCCC1)Nc1cccc(-c2cn3ccccc3n2)c1 4809731 XMMZDQLMGVXUEO-UHFFFAOYSA-N 347.462 5.300 0 50 EKAA CCC[C@@H](NCCOC1CCC1)c1ccc(Oc2ccccc2)cc1 2325822228 LBRTYQYDBGDPJM-JOCHJYFZSA-N 339.479 5.479 0 50 EKAA CC[C@@H](C(=O)Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1 28427 HRBDFGAUYAQPPT-QGZVFWFLSA-N 336.460 5.251 0 50 EKAA O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1 116625 QUYRYSNCWRPCJW-UHFFFAOYSA-N 337.806 5.025 0 50 EKAA Clc1cc(Cl)c(OCc2nc3ccccc3[nH]2)cc1Cl 758784 GFRZLMJKJQYBAE-UHFFFAOYSA-N 327.598 5.102 0 50 EKAA Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)F)c12 2733956 YOEBFTHDDMMFLJ-UHFFFAOYSA-N 335.357 5.334 0 50 EKAA Cc1nc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cs1 2836531 VPVSBUDPSNKCHL-UHFFFAOYSA-N 342.851 5.333 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(Cl)c1 36620880 PWNRLWLQWWARLZ-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA O[C@H](C[C@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 169520503 IKORDPJNLNHIKI-LEWJYISDSA-N 337.850 5.617 0 50 EKAA CC[C@H](C)c1ccccc1NC(=S)Nc1cc(OC)ccc1OC 611761 KAHLMYOLHJLTBJ-ZDUSSCGKSA-N 344.480 5.026 0 50 EKAA Fc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 4199490 UKWYTWNGXNFWRR-NRFANRHFSA-N 334.369 5.321 0 50 EKAA Oc1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 142044 LLTTUOAJTCLSAI-UHFFFAOYSA-N 347.805 5.399 0 50 EKAA CC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 310651 OXNIMDMVPJRPEU-UHFFFAOYSA-N 341.760 5.735 0 50 EKAA CCCCN(CC)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 2989375 ONBOWLBGOSMCDZ-IBGZPJMESA-N 327.493 5.169 0 50 EKAA ClC1=C(Cl)[C@]2(Cl)[C@H]3CC=C[C@H]3[C@@]1(Cl)C2(Cl)Cl 3127948 XCJXQCUJXDUNDN-HLORNFRZSA-N 338.876 5.024 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)=O 4534042 RKNFFTAYULCRTQ-ZKWNWVNESA-N 332.528 6.695 0 50 EKAA CCC[C@H](N[C@@H]1CCO[C@H]1C)c1ccc(Oc2ccccc2)cc1 2325822320 QDXYVNCTOZGMEK-DQLDELGASA-N 325.452 5.087 0 50 EKAA Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1C 67925 SNCOHHQQCADHGB-OAQYLSRUSA-N 347.483 5.776 0 50 EKAA CC1=C(CCN2CCN(c3cccc(Cl)c3)CC2)C(C)(C)CCC1 212115 TUJMPLYHTCHYDT-UHFFFAOYSA-N 346.946 5.379 0 50 EKAA Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Cl 316762 GWCYUVPHBSQSJS-UHFFFAOYSA-N 333.818 5.472 0 50 EKAA O=C(CCC1CCCC1)NCCC(c1ccccc1)c1ccccc1 1112113 JLTPRRYTYLAJPT-UHFFFAOYSA-N 335.491 5.295 0 50 EKAA Cc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1 2779534 FGBUQTBIJFZYBK-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA Cc1ccc2cccc(OCCCOc3ccc(C(C)C)cc3)c2n1 2823494 LOQSLAJXHAUKON-UHFFFAOYSA-N 335.447 5.515 0 50 EKAA Cc1cc(C(c2ccccc2)c2cc(C)c(N)c(C)c2)cc(C)c1N 3880693 MADRVTFUZLHYOU-UHFFFAOYSA-N 330.475 5.265 0 50 EKAA CC(=O)Oc1c(C)sc2ccc(Br)c3cccc1c23 608457 SNRSTRQJNWADAZ-UHFFFAOYSA-N 335.222 5.051 0 50 EKAA C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1 1799820 YIYLPJXGRHENQR-INIZCTEOSA-N 342.394 5.600 0 50 EKAA biogenic Cc1ccc2cccc(OCCOc3c(C)cc(Cl)cc3C)c2n1 2823618 TXZQJHSXUMRLNA-UHFFFAOYSA-N 341.838 5.271 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N1CCCCC[C@@H]1c1cccs1 15867021 KFWQETPNVPMSEH-MRXNPFEDSA-N 348.899 5.859 0 50 EKAA Fc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2ccncc2)cc1 226098311 QIFJOFNVIVQRNJ-UHFFFAOYSA-N 333.341 5.084 0 50 EKAA in-vitro Fc1cccc(Cl)c1CN1c2ccccc2C=Cc2ccccc21 2325817695 MZSIQYKWGAXETO-UHFFFAOYSA-N 335.809 6.301 0 50 EKAA Cc1cc(-c2csc(Nc3ccc(F)cc3)n2)c(Cl)cc1F 2325824356 ZLULXNUEZUDPGI-UHFFFAOYSA-N 336.794 5.794 0 50 EKAA CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 241478 NMILXCVYDJOCAZ-BJMVGYQFSA-N 334.246 5.769 0 50 EKAA CC(C)CC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 457023 RZEKZBPKAKRCQZ-UHFFFAOYSA-N 336.460 5.462 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c(Cl)c1 458388 ASOJYDUHYAXWAM-UHFFFAOYSA-N 336.822 5.644 0 50 EKAA O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)c2c(ccc3ccccc23)N1 1438214 FIXJFHRCFOCKFV-QFIPXVFZSA-N 349.433 5.981 0 50 EKAA O=c1oc(-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 2267861 PZLQYODZDXWPSJ-UHFFFAOYSA-N 343.426 5.127 0 50 EKAA O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1Cl 2956600 PWLHESLOHWQQSM-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA CCCCn1c(-c2csc3c2CC[C@H](C(C)(C)C)C3)n[nH]c1=S 6636027 OVTJTRXASQDACW-LBPRGKRZSA-N 349.569 5.620 0 50 EKAA Cc1ccc(-c2nc(CN(C)[C@H](C)c3cccs3)c(C)o2)s1 12075999 KJBZGYTXCYWSFO-GFCCVEGCSA-N 332.494 5.274 0 50 EKAA CCc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 13329917 QFAOOOXJFROPDP-LLVKDONJSA-N 337.250 5.439 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCC(=O)O 28135475 IFRKCNPQVIJFAQ-HBUOOPIGSA-N 344.495 5.520 0 50 EKAA in-vivo CC(=O)O[C@@H]1CCC(C)=CCCC(C)=CC[C@@]2(C(C)C)CC[C@@]1(C)O2 914431223 HVBACKJYWZTKCA-VSKRKVRLSA-N 348.527 5.739 0 50 EKAA biogenic,in-vitro COc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1Cl 447792 MQFTZQRPARTLHV-UHFFFAOYSA-N 346.213 5.408 0 50 EKAA Cc1ccc(C(C)(C)C)c(OCCCCNCc2ccccc2)c1 2823897 SVSFEHYQBUGPOQ-UHFFFAOYSA-N 325.496 5.241 0 50 EKAA Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1 2997682 YCXSYCUWOGYNRG-UHFFFAOYSA-N 328.440 5.726 0 50 EKAA CCCCC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 13574154 MZWDNWGOALGHNY-XPNTWCBSSA-N 335.491 5.570 0 50 EKAA CC[C@@H](C)c1ccc([C@H](C)NC(=S)NCc2ccc(F)cc2)cc1 13751799 MLLCULQTRUENTM-CABCVRRESA-N 344.499 5.065 0 50 EKAA CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC[C@@H](C)O 96300369 QWQYZEAVCOQEQB-FNUGXZCYSA-N 337.548 5.297 0 50 EKAA in-vitro Cc1cc(Cl)ccc1NC(=O)Nc1c(Cl)cccc1Cl 398105 QPYGSCDCJJSEMC-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA O=C(CC[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 1728329 HKGOVXWRWWAJDE-OAQYLSRUSA-N 328.411 5.316 0 50 EKAA Cc1ccc2nc(Nc3ccccc3O)nc(-c3ccccc3)c2c1 2708891 YTPADZXRLWOWSB-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA O=c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)o1 2851948 ZYPAATIRIHXNPU-UHFFFAOYSA-N 325.367 5.036 0 50 EKAA CCCCC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 2858879 WQSOKEHZKDNCCM-UHFFFAOYSA-N 344.842 5.029 0 50 EKAA C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3C(C)(C)C3(Cl)Cl)c21 4107564 RCLDZICXMAUTNU-HZMBPMFUSA-N 340.294 5.240 0 50 EKAA CSc1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 4418987 DJNPCDZRNROLEN-UHFFFAOYSA-N 333.412 5.560 0 50 EKAA CCCCCCc1ccc(-c2ccc(Br)s2)s1 71773569 QNMUCNVCVAUOQU-UHFFFAOYSA-N 329.328 6.362 0 50 EKAA CC1=CCC[C@H](C)[C@H]1CNc1ccccc1CN(C)c1ccccc1 2325817679 KTKMKSOXPJAQKG-UGKGYDQZSA-N 334.507 5.727 0 50 EKAA O=C(/C=C/c1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 454445 IHKHDCDAGFZYPG-DHZHZOJOSA-N 342.225 5.799 0 50 EKAA CC(C)(C)c1ccc(-c2cc(NC3CCCC3)c3ccccc3n2)cc1 4541723 WHFCTIRZGICRRF-UHFFFAOYSA-N 344.502 6.554 0 50 EKAA Cc1ccc([C@H]2C[C@@H](c3ccccc3)Sc3c(C)cccc32)cc1 5753110 AJRSHRKCOCSRRX-YADHBBJMSA-N 330.496 6.672 0 50 EKAA Cc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1 274986 OXDKGYVRIJMVGI-INIZCTEOSA-N 338.259 5.080 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409033 UCXNRTLJUOKOCB-NSHDSACASA-N 337.250 6.151 0 50 EKAA CC[C@@H](C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 2736265 OHAXOXOAGAHGQA-QGZVFWFLSA-N 329.443 6.119 0 50 EKAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 2884974 UEGPLFUCHRBIRA-KRWDZBQOSA-N 346.430 5.145 0 50 EKAA Cc1nc(Sc2cccc3ccccc23)c2c3c(sc2n1)CCC3 6218988 KSRQCNPEQATFPF-UHFFFAOYSA-N 348.496 5.793 0 50 EKAA Cc1cc(C)cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 13329941 INTTZLVPXSKLAT-LBPRGKRZSA-N 337.250 5.493 0 50 EKAA CCOc1ccccc1NC(=S)NC1CCC(C(C)(C)CC)CC1 17072462 FHXFTRNXXOZKOD-UHFFFAOYSA-N 348.556 5.367 0 50 EKAA CCOc1cc(CNc2cc(-c3ccccc3)ccc2OC)ccc1O 19809301 FOZJRGGQXZEGBM-UHFFFAOYSA-N 349.430 5.079 0 50 EKAA Clc1ccc(-c2noc(-c3sc4ccccc4c3Cl)n2)cc1 20607974 SHHSTACBQDEWQA-UHFFFAOYSA-N 347.226 5.925 0 50 EKAA Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 35476480 KSESSWZXMFGHQL-SFHVURJKSA-N 328.843 5.326 0 50 EKAA Cc1cc([C@@H]2CCCN2Cc2ccc(-c3ccccc3Cl)o2)on1 97717028 QZLYDAQHIHSSMQ-KRWDZBQOSA-N 342.826 5.234 0 50 EKAA CC(=O)O[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257358321 STKWRJUKSJWSDX-MIXOHRJOSA-N 346.555 5.987 0 50 EKAA CCCC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 426518982 OVBKZNPLBMVBMV-LJQANCHMSA-N 347.462 5.025 0 50 EKAA c1coc([C@H]2CCCCCN2Cc2cc(CN3CCCC3)cs2)c1 820414146 HZHPCHUIZXEJCG-LJQANCHMSA-N 344.524 5.054 0 50 EKAA c1ccc(CCC[C@@H]2CCCN(c3cc4ccccc4cn3)C2)cc1 2325842366 WDOSEJBCBPWXAO-HXUWFJFHSA-N 330.475 5.474 0 50 EKAA CCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)nc12 305777 VSBOZNKIAITSMO-UHFFFAOYSA-N 337.426 5.643 0 50 EKAA COc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1 448017 SKLPHDZAYWEKJF-UHFFFAOYSA-N 341.414 5.357 0 50 EKAA CCOc1ccccc1NC(=O)Nc1cccc(Cl)c1Cl 609875 ULYRCJHGVQEQAQ-UHFFFAOYSA-N 325.195 5.036 0 50 EKAA CCCCOc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 1777433 CPVYAZKHRUHVIU-UHFFFAOYSA-N 345.442 5.785 0 50 EKAA Cc1ccc2nc(Nc3ccc(Cl)cc3)nc(-c3ccccc3)c2c1 2067074 BOOURIQEPKDRTH-UHFFFAOYSA-N 345.833 6.002 0 50 EKAA O=C(CSCc1cccc(Oc2ccccc2)c1)Nc1ccccc1 2866589 CECRRFYZHFUGTN-UHFFFAOYSA-N 349.455 5.351 0 50 EKAA Cc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 17067385 HWNDAKGHLIZBLF-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA Cc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 142275042 CNZZQDOFHHSVMJ-UHFFFAOYSA-N 346.473 7.002 0 50 EKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(F)cnc21 169982504 FMYVOYPAUVIMAU-UHFFFAOYSA-N 326.919 5.852 0 50 EKAA c1ccc([C@@H]2CCc3cc(C4SCCCCS4)ccc3O2)cc1 1875362977 LAIGMAWUOUESHE-SFHVURJKSA-N 342.529 6.012 0 50 EKAA Clc1ccc(-c2csc(N3CC[C@@H](c4ccccc4)C3)n2)cc1 82566 RJJPDKWWEKHSDV-MRXNPFEDSA-N 340.879 5.457 0 50 EKAA Cc1ccc(Br)c(NC(=O)c2cccc3ccccc23)c1 5744926 PYNIFSLBZYTRLI-UHFFFAOYSA-N 340.220 5.163 0 50 EKAA c1cc(C23CC4CC(CC(C4)C2)C3)ccc1C12CC3CC(CC(C3)C1)C2 63767569 MNBQNKSJJGPYMT-UHFFFAOYSA-N 346.558 6.622 0 50 EKAA CC(C)(C)C[C@H](NC[C@H](O)c1cccc(Cl)c1)c1ccc(F)cc1 1875306767 OWTBNCUNSKHGOP-OALUTQOASA-N 349.877 5.280 0 50 EKAA O=C(Nc1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21 117268 OVCFWQSYJMSXOK-UHFFFAOYSA-N 335.790 5.216 0 50 EKAA CC(C)C(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 441556 ZYSBVGQGJVWGFZ-UHFFFAOYSA-N 349.217 5.396 0 50 EKAA CCCCC[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@H]1O 4011379 YIBLLNKVEAJJCJ-SSGKUCQKSA-N 337.507 5.362 0 50 EKAA Cc1cc(C)c2c(CC(=O)Nc3ccc(Cl)c(Cl)c3)coc2c1 4828417 BSHNTIUCMPKFLM-UHFFFAOYSA-N 348.229 5.538 0 50 EKAA CC(C)CN1CCC(c2[nH]ncc2-c2ccc3ccccc3c2)CC1 11789950 QBMZIZIDRKNWOE-UHFFFAOYSA-N 333.479 5.065 0 50 EKAA CC(C)=CCC/C(C)=C/CN1CCN(C/C=C/c2ccccc2)CC1 19609146 WELOYHKLKQRKIE-OJPKGUMCSA-N 338.539 5.010 0 50 EKAA C[C@H](c1ccc(-c2ccc(C(=O)O)c(Cl)c2)cc1)N1CCCCC1 67688512 MPZDCOORZZDYCK-CQSZACIVSA-N 343.854 5.252 0 50 EKAA Cn1c(C(=O)N2CCCCC[C@@H]2c2ccco2)ccc1-c1ccccc1 95375023 HFSIJEVREPUUOC-LJQANCHMSA-N 348.446 5.043 0 50 EKAA CCC[C@H](N[C@H]1COC[C@H]1CC)c1ccc(Oc2ccccc2)cc1 2325822371 TYRWUUALNYDGPX-WTNAPCKOSA-N 339.479 5.335 0 50 EKAA Cc1sc(Nc2ccccc2)nc1-c1ccc(Br)cc1 475532 QTDXUODAXZNSJB-UHFFFAOYSA-N 345.265 5.625 0 50 EKAA O=C(Nc1ccccc1F)c1ccc(-c2cccc(C(F)(F)F)c2)o1 534036 HTPVUODOLNEWRW-UHFFFAOYSA-N 349.283 5.357 0 50 EKAA Clc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Cl 226247821 PGQHEYUPYIEJES-UHFFFAOYSA-N 329.186 5.592 0 50 EKAA Clc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 436818 WYJOUCCVYTWIQY-UHFFFAOYSA-N 336.847 6.360 0 50 EKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1C[C@@H]1c1ccccc1 475968 NPSUQUAIQNLIEB-CHWSQXEVSA-N 339.744 5.101 0 50 EKAA c1ccc2c(c1)c1ccccc1n2Cn1c2ccccc2c2ccccc21 1646307 ZHENGQSAYATKAZ-UHFFFAOYSA-N 346.433 6.408 0 50 EKAA biogenic,in-vitro Oc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 16972014 KDDWQFJXPJWPKC-UHFFFAOYSA-N 347.805 5.399 0 50 EKAA CC(C)(C)N(CC(=O)c1cc2ccccc2s1)Cc1ccccc1 96027634 MBRWYZBUVBWHJF-UHFFFAOYSA-N 337.488 5.385 0 50 EKAA Cc1nc(Sc2ccc(Cl)cc2)c2c3c(sc2n1)CCC3 137069 MODRDYFYFAUABX-UHFFFAOYSA-N 332.881 5.293 0 50 EKAA Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 306848 IUIAHLKQMWIICZ-ACCUITESSA-N 337.806 5.560 0 50 EKAA O=C(OCc1cc(-c2ccccc2)on1)c1ccc(Cl)c(Cl)c1 1394144 GATCDCZEGFHPAO-UHFFFAOYSA-N 348.185 5.005 0 50 EKAA Clc1cccc(OCCCCCOc2cccc(Cl)c2)c1 2880534 JILAOAJIVWCEAP-UHFFFAOYSA-N 325.235 5.622 0 50 EKAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3843387 QFEHNMKROHXPFO-BZIXAJQCSA-N 338.532 6.061 0 50 EKAA biogenic COc1ccc(OC)c2c(C)cc(N[C@@H]3CCCc4ccccc43)nc12 23633918 JWHVCQGATSQKHW-QGZVFWFLSA-N 348.446 5.050 0 50 EKAA COc1cccc(CC[C@H](C(=O)c2ccc(O)cc2)c2ccccc2)c1 71770171 AEDYYZXXYWLYCO-QFIPXVFZSA-N 346.426 5.000 0 50 EKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H](C[C@@H]12)C(=O)[C@@]12CC[C@@H](C)[C@@H]1CC[C@@]32C 71786353 QOHMQRPYGSPDAW-ACBDHWNMSA-N 342.567 6.116 0 50 EKAA Cc1nc([C@@H]2CCCN2C(=O)Nc2c(C)cccc2C(C)C)cs1 188347959 RUOALZZVYJIZNZ-KRWDZBQOSA-N 343.496 5.252 0 50 EKAA Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc(F)cc4)c12)CCC3 95444 RHFLOLFMAIXEKB-UHFFFAOYSA-N 334.346 5.142 0 50 EKAA biogenic CC(C)c1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 514976 GVISGCHNSPPWHJ-UHFFFAOYSA-N 336.479 5.048 0 50 EKAA CN(Cc1ccccc1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2057892 RNXIQKQYYGIDAB-UHFFFAOYSA-N 339.523 5.619 0 50 EKAA CCOc1ccc2nc(SC/C=C/c3ccccc3)sc2c1 2171251 KPRKWVKZOKGMRW-RMKNXTFCSA-N 327.474 5.501 0 50 EKAA CCc1cccc(CC)c1NC(=O)Nc1cc(Cl)ccc1OC 2852894 AWNDSWJNUZULKD-UHFFFAOYSA-N 332.831 5.117 0 50 EKAA COc1ccc(Cl)cc1NC(=S)N[C@@H](C)c1ccc(C)c(C)c1 17072486 NMVCXDCYQZNKKT-ZDUSSCGKSA-N 348.899 5.013 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)O 215930138 MBMBGCFOFBJSGT-DCFBTPTBSA-N 328.496 6.549 0 50 EKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccs1 107542 UHMIRDSPQBODCP-CRAIPNDOSA-N 348.471 5.340 0 50 EKAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 122485 BMHFYKFUMFQHOX-UHFFFAOYSA-N 330.412 5.216 0 50 EKAA CCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 452018 OIULICFPONWLJR-UHFFFAOYSA-N 343.732 5.010 0 50 EKAA O=C(Nc1cccc(Cl)c1)N1CCSc2cc(Cl)ccc21 3016144 XQAMKQUWTISIDE-UHFFFAOYSA-N 339.247 5.138 0 50 EKAA c1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 4567373 UPCXPYPKHNTCAE-FCQUAONHSA-N 342.467 5.497 0 50 EKAA Cc1ccc(-[n+]2c(C)cc(-c3ccccc3)cc2-c2ccccc2)cc1 5416890 UIWNTHSRRQCIQR-UHFFFAOYSA-N 336.458 5.914 0 50 EKAA Cc1cc(Nc2cccc(Cl)c2)n2nc(C)c(-c3ccccc3)c2n1 5560894 UJLCFEJBBYVGAL-UHFFFAOYSA-N 348.837 5.410 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 36620897 WMZGTZXBVHBJSQ-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA O=C(/C=C/c1ccccc1)Nc1ccccc1SCc1ccccn1 96027596 GOFZKDCRFRZGHT-BUHFOSPRSA-N 346.455 5.026 0 50 EKAA Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)c1cscn1)CCC2 2325829695 PYKDWERMIUWXNF-TZIWHRDSSA-N 334.488 5.208 0 50 EKAA CC(C)(C)c1ccc(-c2cc(N)n(Cc3ccc(Cl)cc3)n2)cc1 77038 KKFLNODLOGLKMZ-UHFFFAOYSA-N 339.870 5.132 0 50 EKAA C[C@@H]1CCc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)csc2C1 462709 IELBVEMVLWFUGT-SNVBAGLBSA-N 339.382 5.144 0 50 EKAA Cc1ccc(OCCCCOc2ccc(C)cc2Cl)c(Cl)c1 3106073 GQXUGZLJMUORPZ-UHFFFAOYSA-N 339.262 5.848 0 50 EKAA COc1ccc2nc(SCc3ccc(Cl)cc3Cl)[nH]c2c1 4406514 NMIIKXVLWWANRW-UHFFFAOYSA-N 339.247 5.171 0 50 EKAA CCCC[C@@H](CC)COC(=O)/C=C/C(=O)OC[C@H](CC)CCCC 4409979 ROPXFXOUUANXRR-XNVVNFSMSA-N 340.504 5.062 0 50 EKAA in-vitro C1=CCC(n2cnc(-c3ccccc3)c2COCc2ccccc2)C1 65396541 VEPRLKOHGOCSLK-UHFFFAOYSA-N 330.431 5.158 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\CCC(=O)O 102185971 OHYKIJBTVXMLKX-JYFGGXQQSA-N 344.495 5.760 0 50 EKAA in-vitro CCCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 170607454 OCHHDHMZRXYIHK-UXHICEINSA-N 339.454 5.644 0 50 EKAA CCCc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O 123073 SXALKXJINPHGSY-UHFFFAOYSA-N 342.822 5.286 0 50 EKAA CC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)Cc1ccccc1 209108 XMNUQHGPNISGQA-JOCHJYFZSA-N 347.458 5.159 0 50 EKAA C[C@@H]1CC2=C(C[C@H]1COC(=O)Nc1ccccc1)C(C)(C)CCC2 210876 KAQLIWBOUVGKDQ-WBVHZDCISA-N 327.468 5.788 0 50 EKAA biogenic COc1cc(Cl)ccc1NC(=O)Sc1ccc(C(C)(C)C)cc1 400426 YWTYEAASJQDOME-UHFFFAOYSA-N 349.883 5.970 0 50 EKAA Clc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1Cl 5065395 AGBFLCSFDRJGIV-UHFFFAOYSA-N 325.582 5.364 0 50 EKAA CC1(C)C(Cl)(Cl)C12[C@H]1CC[C@H]2c2c(F)c(F)c(F)c(F)c21 101049859 AOLHYUUVKRWUMW-WDSKDSINSA-N 339.159 5.418 0 50 EKAA C[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 140529828 HOTZHQHCTCAKCU-CQSZACIVSA-N 329.365 5.709 0 50 EKAA in-vitro CCOC(=O)/C=C1/CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257345715 GYQSKOGOCVOEJI-FYCFUHSKSA-N 344.539 5.909 0 50 EKAA Cc1c(C(=O)Nc2cnccc2Oc2ccccc2)oc2ccccc12 499649213 KVGUPXKJDIAZAZ-UHFFFAOYSA-N 344.370 5.181 0 50 EKAA O=C(Nc1ccc(Cl)cc1)N(C1CCCCC1)C1CCCCC1 392863 NRZBSEQCXIDGPK-UHFFFAOYSA-N 334.891 5.839 0 50 EKAA COc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 472132 QHEFMQWNUUSLLR-UHFFFAOYSA-N 349.455 5.240 0 50 EKAA Fc1ccc(-c2cnn3c(-c4ccc5ccccc5c4)ccnc23)cc1 1394981 LZARQWHDLKJXOS-UHFFFAOYSA-N 339.373 5.356 0 50 EKAA CCCCc1ccccc1OCC(=O)Nc1ccc(C(C)C)c(C)c1 3131321 CFOASKNRBBXGOS-UHFFFAOYSA-N 339.479 5.479 0 50 EKAA O=C(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 6093366 AHXHKFWCZJASTQ-UHFFFAOYSA-N 344.197 5.421 0 50 EKAA FC(F)(F)c1c(Cl)nc(N2CCCCCC2)c(Cl)c1Cl 19848293 UZCPNMULNTYUHV-UHFFFAOYSA-N 347.595 5.441 0 50 EKAA c1ccc2c(c1)Nc1ccccc1C21c2ccccc2-c2ccccc21 196063386 GFOZRCASAHKFFT-UHFFFAOYSA-N 331.418 6.107 0 50 EKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(C=O)cnc21 198020470 AODIUYZQLDRJKC-UHFFFAOYSA-N 336.939 5.526 0 50 EKAA Cc1cc(C)cc(O[P@@](C)(=O)Nc2cccc(C(F)(F)F)c2)c1 275321 DMJHGQQLPRBRLM-HSZRJFAPSA-N 343.285 5.636 0 50 EKAA Cc1nc(Oc2ccc(F)c(Cl)c2)c2c3c(sc2n1)CCCC3 4284341 UFYIXTLSAVTPQN-UHFFFAOYSA-N 348.830 5.463 0 50 EKAA CC[C@@H](C)c1ccc([C@@H](C)NC(=O)Nc2cccc(SC)c2)cc1 13321214 KHNHKLVGGFASDL-HUUCEWRRSA-N 342.508 5.805 0 50 EKAA CC[C@H](NC(=O)Nc1cc(Cl)ccc1C)c1ccc(Cl)cc1 13330206 NXWLKLZXDIRWRA-HNNXBMFYSA-N 337.250 5.575 0 50 EKAA CCC[C@H]1CC[C@H](C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1 245189234 FEWMLRARKGRCCE-OJHJNGDYSA-N 338.457 6.984 0 50 EKAA Cc1ccc(-c2nc3nc(-c4ccc(F)cc4)nc(Cl)c3o2)cc1 1857798887 FIRWQYNDOFZJLP-UHFFFAOYSA-N 339.757 5.053 0 50 EKAA CC1=CCC[C@@H](C)[C@@H]1CNc1ccccc1CN(C)c1ccccc1 2325817676 KTKMKSOXPJAQKG-DENIHFKCSA-N 334.507 5.727 0 50 EKAA O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1Cl 188951 UMQSGKQJNMICSX-UHFFFAOYSA-N 347.805 5.136 0 50 EKAA CSc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 316185 KYKPHJCLMSKAAI-NSHDSACASA-N 337.897 5.181 0 50 EKAA CC(C)Oc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 357707 XTFAMDLBSSNHIU-UHFFFAOYSA-N 338.329 5.137 0 50 EKAA O=C(Nc1cccc(F)c1)c1sc2cc(Cl)ccc2c1Cl 372267 YVJHORJFFNPUMM-UHFFFAOYSA-N 340.206 5.600 0 50 EKAA Cc1ccnc(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c1 376729 ZNVKQPPZILDWDO-LNVKXUELSA-N 343.455 5.142 0 50 EKAA Cc1c(Cl)cccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 459710 XPFCJTAHNKWALO-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA Cc1ccccc1Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 2297376 MXJMLWYSTPZTPI-UHFFFAOYSA-N 345.833 6.002 0 50 EKAA Cc1ccc(C)c(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1 2472133 KCWTXLGONINBEM-UHFFFAOYSA-N 328.868 6.132 0 50 EKAA COc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1 2521084 HMJKJWCTXNTQBO-UHFFFAOYSA-N 331.415 5.047 0 50 EKAA Cc1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 4542045 MMFZJJLKIUUIHO-UHFFFAOYSA-N 345.320 5.526 0 50 EKAA Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)N3CCCC3)c2C)c1 6788025 XCVWTLNTPYDWPZ-UHFFFAOYSA-N 344.458 5.063 0 50 EKAA Nc1c(-c2nc3ccccc3[nH]2)sc2nc(-c3ccccc3)ccc12 220967598 MAIAUEZODODLMZ-UHFFFAOYSA-N 342.427 5.089 0 50 EKAA CC(C)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 449979 ZMKDKNMQPSNELI-UHFFFAOYSA-N 333.884 5.335 0 50 EKAA Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1Cl 527906 ADEQUZAXNADUIC-UHFFFAOYSA-N 349.261 5.154 0 50 EKAA C(=C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 2173555 PSLHAJSIVBEUGX-UHFFFAOYSA-N 346.473 6.950 0 50 EKAA Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1F 13736924 KMISUPMWXXRIKL-UHFFFAOYSA-N 329.227 5.250 0 50 EKAA CC(C)(C)c1cc(C[C@]2(O)CCCCCCC2=O)cc(C(C)(C)C)c1 43199231 AAYVGYMRUPZZGX-HSZRJFAPSA-N 344.539 5.479 0 50 EKAA Cc1nn2c(-c3ccc(F)cc3)ccnc2c1-c1cccc(Cl)c1 71384760 ONEMLEGKEFKJHN-UHFFFAOYSA-N 337.785 5.164 0 50 EKAA CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@@]12C 230044957 LFDDUQXVBIIJBD-ODXYLZIVSA-N 344.583 6.529 0 50 EKAA Cc1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1C 68135 OIWIQMIMIOQSNE-NRFANRHFSA-N 347.483 5.776 0 50 EKAA Cc1cc(Nc2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2n1 143882 ZJFFCVKNUNYMHH-UHFFFAOYSA-N 336.744 5.959 0 50 EKAA O=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 442261 MGHBMMRYERLJOQ-RMKNXTFCSA-N 325.717 5.011 0 50 EKAA CCOC(=O)c1ccc(NC(=O)Nc2ccccc2[C@@H](C)CC)cc1 609236 SASXBYKIOSDELE-AWEZNQCLSA-N 340.423 5.021 0 50 EKAA CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1(C)C 4686579 JWFQFWIVNAVQED-FXAWDEMLSA-N 333.431 5.763 0 50 EKAA Cc1ccc2c(-c3ccccc3)nc(Nc3ccccc3O)nc2c1 253430642 FMOQCUJBSZWADD-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA Cc1cc(=N[C@@H](C)CCC(C)(C)C)c2cc(OC(F)F)ccc2[nH]1 2325853449 PXAWPXAYNNYONY-LBPRGKRZSA-N 336.426 5.193 0 50 EKAA COc1cccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1 309252 QTCQGBQEIHSHJY-UHFFFAOYSA-N 338.457 5.542 0 50 EKAA CCOc1cc2occ(-c3ccccc3Cl)c(=S)c2cc1CC 311607 DJCRIAOUIFRXBP-UHFFFAOYSA-N 344.863 6.444 0 50 EKAA biogenic CCn1c2ccccc2c2cc(CNc3ccc(Cl)cc3)ccc21 2464141 HPZZRJPBRNVVFV-UHFFFAOYSA-N 334.850 6.080 0 50 EKAA CCCOc1c(Cl)cc(C(=O)Oc2ccccc2F)cc1Cl 4820612 LCSLQNBQTQTAII-UHFFFAOYSA-N 343.181 5.141 0 50 EKAA O=C(C[C@H](c1ccc(Cl)cc1)[C@@H]1CCCC1=O)c1ccccc1 4957831 FNNLCCWPLUPOJS-ZWKOTPCHSA-N 326.823 5.066 0 50 EKAA S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccccc1 6672210 XCVNQAAUFJYVOH-UHFFFAOYSA-N 346.499 5.195 0 50 EKAA c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 6827744 JLZUZNKTTIRERF-UHFFFAOYSA-N 332.446 6.694 0 50 EKAA in-vitro CC/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCC(=O)O 38224015 DCFKVKFLEPMEGT-RQQXGUOYSA-N 344.495 5.760 0 50 EKAA in-vitro CC[C@@H](C)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 465912 KFSFYWNOHJYKEU-GFCCVEGCSA-N 343.879 6.321 0 50 EKAA CC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(C(C)C)cc1 1002856 MITVQEOPNHOPDU-OAQYLSRUSA-N 339.479 5.478 0 50 EKAA Cc1cc2c(cc1O)C1(CC2(C)C)CC(C)(C)c2cc(C)c(O)cc21 2173129 WDVMGVVMIHWWOF-UHFFFAOYSA-N 336.475 5.363 0 50 EKAA CC1=C(CCN2CCN(c3ccc(C)cc3)CC2)C(C)(C)CCC1 4980253 RXCVVBJZTFYZDN-UHFFFAOYSA-N 326.528 5.034 0 50 EKAA O=C1CCCCC[C@@H]1[C@@H](Nc1ccc2ccccc2c1)c1ccncc1 5395278 AXDLHUVJQAUSML-GMAHTHKFSA-N 344.458 5.537 0 50 EKAA CCCCCn1cc(C(=O)Cc2cccc(Cl)c2)c2ccccc21 28463001 KURUPMPUIIQATM-UHFFFAOYSA-N 339.866 5.910 0 50 EKAA in-vivo Cc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 64984693 ZEFPGBJSLXORRO-IBGZPJMESA-N 342.870 5.798 0 50 EKAA COC1=CC2=CC[C@H]3[C@@H](CC[C@@]4(C)[C@H](C(C)=O)CC[C@H]34)[C@@]2(C)CC1 257357323 NKWZNFOLDIHRJW-HJEMKOJISA-N 328.496 5.295 0 50 EKAA Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1ccc(Br)cc1)N2 584904499 CXVIDGGMNLBIKW-BMGDILEWSA-N 344.252 5.002 0 50 EKAA Fc1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 32439 NEJQZBMSGKKLNA-UHFFFAOYSA-N 348.493 5.262 0 50 EKAA CC(C)OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 76362 VQFNGEZVFCPUHL-UHFFFAOYSA-N 325.795 5.120 0 50 EKAA Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 274311 DYJABTDLXRPEPI-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SC(F)(F)F 295282 AYSNKBCQJNKMAU-UHFFFAOYSA-N 346.761 5.596 0 50 EKAA COc1ccccc1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1 302059 ITWZFSJIUSHDFV-UHFFFAOYSA-N 337.806 5.268 0 50 EKAA O=C(Nc1ccc(F)c(Cl)c1)Oc1ccc(Cl)cc1Cl 400349 NZPLRNUACZYFCS-UHFFFAOYSA-N 334.561 5.397 0 50 EKAA O=C(Nc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 440210 QZOASMAGONNIEV-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA CCOc1ccc2nc(C)cc(Nc3ccc(C)c(Cl)c3)c2c1 548611 IEQLLFUQVJQXSL-UHFFFAOYSA-N 326.827 5.647 0 50 EKAA Cc1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)n1 612574 ZHTAVZRVAOFPGK-UHFFFAOYSA-N 336.247 5.564 0 50 EKAA O=C(Nc1cccc2c1CCCC2)c1ccccc1-c1ccccc1 1129912 FSFSKGFUDYKCNX-UHFFFAOYSA-N 327.427 5.485 0 50 EKAA Oc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O 1700226 PKKDWPSOOQBWFB-UHFFFAOYSA-N 338.017 5.302 0 50 EKAA Cc1ccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1C 2992801 UZYYPMGBEPOPNW-UHFFFAOYSA-N 343.511 5.176 0 50 EKAA Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(C)C)cc1 5682756 ZKJXTIDGBCQWFN-UYAOXDASSA-N 340.854 5.174 0 50 EKAA c1ccc2c(c1)[nH]c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc12 21982660 PUMOFXXLEABBTC-UHFFFAOYSA-N 332.406 6.623 0 50 EKAA Cc1scc(C(=O)N2CCC[C@@H]2c2ccccn2)c1-c1ccccc1 77320747 PSEFSEWLHISUAB-LJQANCHMSA-N 348.471 5.096 0 50 EKAA Cc1ccc2nc(-c3cccc(NC(=O)/C=C/c4ccco4)c3)oc2c1 277317 VPNLHCJCEGUYHP-CSKARUKUSA-N 344.370 5.048 0 50 EKAA COc1ccccc1/C=C/C(=O)Nc1ccc(Oc2ccccc2)cc1 468744 KCKWMBGVDRGCRY-LFIBNONCSA-N 345.398 5.139 0 50 EKAA C[C@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)C(C)(C)C 1074035 FFHFSVGARUCBTM-ZDUSSCGKSA-N 338.476 5.128 0 50 EKAA CCCc1sc2c(ccc3ccccc32)c1CCc1ccccc1 5311220 NSZXTSLWULFEFT-UHFFFAOYSA-N 330.496 6.792 0 50 EKAA CC[C@H](C)c1ccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)cc1 6121209 JBWQETQHHCHBJF-AWEZNQCLSA-N 333.431 5.730 0 50 EKAA Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](C)c1nc(-c2ccncc2)cs1 230205606 RUGWQYOAUPOORM-RKVPGOIHSA-N 349.503 5.413 0 50 EKAA CCCC1CCC([C@H]2CC[C@H](C(=O)Oc3ccc(F)cc3)CC2)CC1 245205030 LIALNGUAWCANCX-NZKYNAJMSA-N 346.486 6.144 0 50 EKAA in-vitro CC(=O)O[C@@H]1CC[C@@]2(C)C(=C(F)C[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 254756913 NQPNKHPRIRGDJL-YLMHJTNXSA-N 334.475 5.568 0 50 EKAA COc1ccc(-c2csc(Nc3ccc(C)c(Cl)c3)n2)cc1F 48957 KGNINRQVDLFAGS-UHFFFAOYSA-N 348.830 5.663 0 50 EKAA O=C(Cc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 475848 VQIMMIHFAVYXOZ-UHFFFAOYSA-N 337.806 5.314 0 50 EKAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccs1 980486 YSNZGLJFWFIWFO-UHFFFAOYSA-N 329.808 5.446 0 50 EKAA Cc1ccc(-n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1C 2853306 SZIPHKGFHDPMFD-UHFFFAOYSA-N 337.492 5.137 0 50 EKAA c1ccc(CC(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 3123109 NTJVVWWVDQQIDF-UHFFFAOYSA-N 346.473 6.888 0 50 EKAA Cc1cc(OC(=O)[C@@H]2C[C@H]2c2ccccc2)c(C(C)C)cc1Cl 4948548 KXOYGANEMSOCJA-DLBZAZTESA-N 328.839 5.481 0 50 EKAA CCOc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 5060685 YPMIWYSIDAQBFF-UHFFFAOYSA-N 348.402 5.522 0 50 EKAA Brc1sc(Br)c2c1ncc1sccc12 334516 FZJRIGKEYNXBCQ-UHFFFAOYSA-N 349.072 5.036 0 50 EKAA Cc1ccc([C@@H](C)NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 371691 SCGWOLMYWXYCJX-CYBMUJFWSA-N 343.879 5.663 0 50 EKAA O=C(CCSc1ccc(Cl)cc1)c1ccc2ccccc2c1 403763 BGYHHPFGEFYBAC-UHFFFAOYSA-N 326.848 5.858 0 50 EKAA Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 447022 RQLHVNWQLWKEPM-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 473619 YDDPXVOPNJYTKG-SECBINFHSA-N 344.625 5.053 0 50 EKAA CCOC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 993436 NMJFFFBQFFGVQX-UHFFFAOYSA-N 331.824 5.102 0 50 EKAA CC1(C)C[C@@]2(C)OC(=O)N(CCc3ccccc3)[C@@]2(C)c2ccccc21 4727307 WSZCDWPCCIAWOM-PKTZIBPZSA-N 349.474 5.037 0 50 EKAA Cc1cc(C)c(NC(=O)CSc2cccc3ccccc23)c(C)c1 4821317 TZEBTZAHZZHEAI-UHFFFAOYSA-N 335.472 5.496 0 50 EKAA CC(C)c1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1 5944976 FQQMUWTWXTUACN-UHFFFAOYSA-N 343.470 6.162 0 50 EKAA Cc1ccc2c(-c3ccccc3)nc(Nc3ccc(Cl)cc3)nc2c1 225518857 YDRGFHLBMSLSDE-UHFFFAOYSA-N 345.833 6.002 0 50 EKAA CCCC(CCC)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 312351 ZOBUXQDAHWHNMF-UHFFFAOYSA-N 335.451 5.385 0 50 EKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl 347167 CQKVGEDLHCSTPN-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1C[C@H]1c1ccccc1 475969 NPSUQUAIQNLIEB-QWHCGFSZSA-N 339.744 5.101 0 50 EKAA O=C(NCCCCc1ccccc1)c1ccc(-c2ccccc2)cc1 2493608 VILOLILVRQEUBE-UHFFFAOYSA-N 329.443 5.106 0 50 EKAA CC(C)c1ccc(OCCCCOc2cccc3cccnc23)cc1 2985397 FKFGKMVVWAPVHZ-UHFFFAOYSA-N 335.447 5.596 0 50 EKAA C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 39266 QTLYNQDPNRTKMF-QGZVFWFLSA-N 347.483 5.470 0 50 EKAA O=C(CCNc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 2519781 BCXCHTWHIIQRIB-UHFFFAOYSA-N 335.834 5.692 0 50 EKAA CCCCOc1ccc(OC(=O)Nc2ccc(SC)cc2)cc1 3086151 YMMYKHJFZZLWMZ-UHFFFAOYSA-N 331.437 5.198 0 50 EKAA Fc1ccc(N2C[C@H](c3ccccc3)C(c3cccs3)=N2)c(F)c1 4020831 JTLKBBZMZCQYBA-OAHLLOKOSA-N 340.398 5.034 0 50 EKAA CC1(C)C[C@@]2(C)OC(=O)N(CCc3ccccc3)[C@]2(C)c2ccccc21 4727305 WSZCDWPCCIAWOM-DHIUTWEWSA-N 349.474 5.037 0 50 EKAA C[C@H]1CCc2c(-c3n[nH]c(=S)n3C3CCCCC3)csc2C1 6199882 HVSARAWVVQSSLW-NSHDSACASA-N 333.526 5.299 0 50 EKAA Cc1cccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)c1 17043363 PFVSCOOEHXKMTE-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA Cc1c(Cl)cccc1NC(=O)C1c2ccccc2Oc2ccccc21 117245 BJVMBLJMFVDJMG-UHFFFAOYSA-N 349.817 5.525 0 50 EKAA O=C(CCc1ccccc1)Nc1ccccc1Sc1ccccc1 612202 NAZRUHYCCNKEEY-UHFFFAOYSA-N 333.456 5.409 0 50 EKAA CCc1cc(OCCCOc2cccc3cccnc23)ccc1Cl 2991180 CKJNXBOWEVXBIJ-UHFFFAOYSA-N 341.838 5.299 0 50 EKAA c1ccc(CC2CCN(CCOc3cccc4ccccc34)CC2)cc1 4845547 AIHCGBCQLBMFSH-UHFFFAOYSA-N 345.486 5.173 0 50 EKAA Cc1ccc(C(C)(C)C[C@H](C)N[C@@H](C)c2cccc3ccccc23)o1 5031797 NPORLOPTWBLJAH-WMZOPIPTSA-N 335.491 6.148 0 50 EKAA CC1(C)C(=O)/C(=C\O)C[C@@]2(C)[C@H]3CC[C@@]4(C)CCC[C@@H]4[C@@H]3CC[C@@H]12 5917945 VNXWQBNQVCQUSW-GTGOCBHXSA-N 330.512 5.676 0 50 EKAA CC[C@H](NC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1 13328994 FJRXLFFYIKALNP-SFHVURJKSA-N 338.838 5.766 0 50 EKAA Clc1ccc2c(c1)-c1ncc(-c3noc4ccccc34)cc1CO2 71785270 NNVRPSNYBBKGAC-UHFFFAOYSA-N 334.762 5.103 0 50 EKAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 252640071 YQNTWNOXMQOVET-BWTSREIZSA-N 329.871 5.607 0 50 EKAA CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 317721 INOSXGXQFNIOCD-UHFFFAOYSA-N 342.870 5.316 0 50 EKAA Cc1cccc(C)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1 1319342 AGROKRUZEPCBGO-UHFFFAOYSA-N 344.458 5.538 0 50 EKAA FC(F)(F)c1cnc(SC[C@@H]2CC2(Cl)Cl)c(Cl)c1 1385669 GMSPZAKAUZKINW-LURJTMIESA-N 336.593 5.040 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCC 4533786 FVYDLXGAUHZBJE-GKFVBPDJSA-N 346.555 7.085 0 50 EKAA CCCc1cc(C(=O)NC2CCCCCCCCCCC2)cs1 4651913 QMJIYFMGQHIKIS-UHFFFAOYSA-N 335.557 6.104 0 50 EKAA Brc1cc(-c2cccs2)sc1-c1cccs1 6093634 FGBHDLKMGUOJBA-UHFFFAOYSA-N 327.293 5.968 0 50 EKAA in-vitro CC(C)c1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 268446 OHWJBUWGIOOHSU-UHFFFAOYSA-N 338.451 5.047 0 50 EKAA C[C@]12CCC3(C=C1CCCC21SCCS1)SCCS3 343701 PAUATRPREIQMBW-ZDUSSCGKSA-N 330.609 5.249 0 50 EKAA CSc1ccccc1NC(=O)c1csc(C)c1-c1ccccc1 1056001 QFSCTAFAMVXRPU-UHFFFAOYSA-N 339.485 5.698 0 50 EKAA O=Cc1sc2ccccc2c1Sc1ccc(Br)cc1 1404622 MZSPZUMXNTWQPC-UHFFFAOYSA-N 349.274 5.628 0 50 EKAA Cc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 2383597 DVNONRCPJNQMOF-FOCLMDBBSA-N 341.454 5.222 0 50 EKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)cc1 13616479 AWUVGJODILTFKA-GMAHTHKFSA-N 346.474 5.445 0 50 EKAA Cc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1 18130356 XDJDOICOLVQZMC-LHHMWQFHSA-N 345.486 5.472 0 50 EKAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CCC=CCCC=CCC[C@H]32)c1 252593217 BJQOSONJQCUKEY-AERCQKQUSA-N 337.463 5.157 0 50 EKAA CC1=CC(C)(C)N(C(=O)Nc2ccc(F)cc2)c2cc(C)c(C)cc21 208934 VCKIDYJHAUPPRR-UHFFFAOYSA-N 338.426 5.677 0 50 EKAA COc1ccc(C2=C[C@@H](c3ccccc3)c3ccccc3O2)cc1OC 266397 LUANHEMKNMMQAQ-IBGZPJMESA-N 344.410 5.269 0 50 EKAA biogenic Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 442530 ZLQCAWWLBDKXAX-FQEVSTJZSA-N 333.456 5.467 0 50 EKAA O=C(CC(CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 1056044 SQFIJFCIFAVGEG-UHFFFAOYSA-N 328.411 5.316 0 50 EKAA CCCCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 1750916 GMLULPULUBNFDS-UHFFFAOYSA-N 343.279 5.169 0 50 EKAA Cc1ccc([C@@H]2CCCN2Cc2ncc(-c3cccs3)o2)cc1C 170623425 XOISJPIJZVAASO-KRWDZBQOSA-N 338.476 5.357 0 50 EKAA O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 310456 AYEAELDAKZPWAG-UHFFFAOYSA-N 345.773 5.090 0 50 EKAA COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1OC 613095 GBBMSOIZKPAIJP-UHFFFAOYSA-N 346.839 5.224 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1Cl 858857 QMDGNVKXTFIINJ-UHFFFAOYSA-N 349.261 5.154 0 50 EKAA OCc1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1 1386271 SOWFOUGZNNQTLQ-UHFFFAOYSA-N 332.447 5.079 0 50 EKAA CCCCc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 2846009 HCNYPQXGWTXWRV-UHFFFAOYSA-N 349.430 5.454 0 50 EKAA Cc1nn(Cc2cccc(Cl)c2)c2nc(C3CC3)cc(C(F)F)c12 20615262 SLLLWZZYGVQSOW-UHFFFAOYSA-N 347.796 5.256 0 50 EKAA Cc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 25763303 YRVQDSOXFILBJR-FYYLOGMGSA-N 340.426 5.237 0 50 EKAA Cc1cc(C(=O)N(C)c2ccccn2)sc1-c1cccc(Cl)c1 134537994 ZEYDGXYLBSEZMJ-UHFFFAOYSA-N 342.851 5.049 0 50 EKAA c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1 2545806 CMAUJSNXENPPOF-UHFFFAOYSA-N 346.565 6.271 0 50 EKAA in-vitro CCCCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 2973055 RICVFRFMAGQIDD-UHFFFAOYSA-N 328.799 5.277 0 50 EKAA Cc1ccc(-n2c([C@@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]c2=S)cc1 6533868 RHXMARFAJZENTK-JKSUJKDBSA-N 341.867 5.163 0 50 EKAA CCOc1ccc(NC(=O)N[C@H](CC)c2ccc(Cl)cc2)cc1 13328970 HQWDRHBYXIFGMA-QGZVFWFLSA-N 332.831 5.012 0 50 EKAA CC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 32821825 SWTYBBUBEPPYCX-NGHKTGSUSA-N 344.495 5.520 0 50 EKAA endogenous,in-man CCc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(C)cc1 64984802 KACUPVXLTSKPQR-NRFANRHFSA-N 336.479 5.707 0 50 EKAA CC1(CCC[C@@]2(C)CC[C@@H]3C(C)(C)C[C@@]4(C)CC=C[C@]324)OCCO1 71786440 WKMHHJQYNWGQBL-KHHDVDEJSA-N 332.528 5.719 0 50 EKAA CC(C)C[C@H](NCC1(c2cccc(Cl)c2)CC1)c1ccncc1 1875336935 KOFMFMLCNRKFIM-IBGZPJMESA-N 328.887 5.144 0 50 EKAA Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 54665 QWPPGUDQKGAOFE-LBPRGKRZSA-N 338.234 5.016 0 50 EKAA Cc1cc(F)ccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 97540 LXWYATUVBWHBTQ-UHFFFAOYSA-N 344.773 5.003 0 50 EKAA CCn1c(SC)nnc1-c1sc2cc(Cl)ccc2c1Cl 107802 MJUCNRTWNSCQPP-UHFFFAOYSA-N 344.292 5.208 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC 3785276 SSQPWTVBQMWLSZ-AAQCHOMXSA-N 330.512 6.471 0 50 EKAA endogenous,fda CCOc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 4010788 BSTHHRXYTWDYSA-UHFFFAOYSA-N 325.195 5.036 0 50 EKAA CCOc1cc(CN2CCCC2)ccc1Oc1nccc2ccccc12 67676241 URGNJMCGFOVNMZ-UHFFFAOYSA-N 348.446 5.022 0 50 EKAA CC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(-c2cccc(C)c2)c1 952989796 XEZLYSOUUZTQTL-QFIPXVFZSA-N 344.458 5.280 0 50 EKAA Clc1ccc(-n2nc(-c3cccs3)nc2C2[C@H]3CCC[C@H]23)cc1 1875347693 COJRJRJJLBJAGX-KBPBESRZSA-N 341.867 5.163 0 50 EKAA Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)c1cscn1)CCC2 2325829694 PYKDWERMIUWXNF-CTNGQTDRSA-N 334.488 5.208 0 50 EKAA COc1ccccc1Oc1ncnc2scc(-c3ccc(C)cc3)c12 91520 DCNAOCGFGNXLKL-UHFFFAOYSA-N 348.427 5.468 0 50 EKAA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 443136 ZCKSJGABCPWQDZ-CMDGGOBGSA-N 325.717 5.011 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1C(F)(F)F 2167158 XNGKGWSMKHWKAI-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc3ccccc3cc1O2 2169659 WWECBXADXSKFSR-QHCPKHFHSA-N 327.427 5.369 0 50 EKAA CC/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCC(=O)O 14449055 DDCYKEYDTGCKAS-FXITVLLRSA-N 344.495 5.520 0 50 EKAA in-vitro O=C(Nc1ccc2ccccc2c1)OCc1ccc(Cl)cc1Cl 43191259 XMWBOMYJDJBDBW-UHFFFAOYSA-N 346.213 5.895 0 50 EKAA CCCCCCOc1ccc(C(=O)NCC2CC(C(C)(C)C)C2)cc1 1875357630 ONADGMXJYZNUJD-UHFFFAOYSA-N 345.527 5.448 0 50 EKAA Cc1ccc(-c2csc3ncnc(Nc4ccc(O)cc4)c23)cc1 132524 RVEHCCZYSASPAU-UHFFFAOYSA-N 333.416 5.116 0 50 EKAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1SC(F)F 295279 GLKMYCDLQMSMBZ-UHFFFAOYSA-N 328.771 5.299 0 50 EKAA Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 315153 SCTYKXUVFITDHQ-NRFANRHFSA-N 328.415 5.075 0 50 EKAA COc1ccc(C)cc1NC(=O)Nc1ccccc1Cc1ccccc1 611953 DMWQTJITCXGDAC-UHFFFAOYSA-N 346.430 5.238 0 50 EKAA C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1cccc2ccccc12 2875297 QMXPZEAUGBFPEU-NSHDSACASA-N 345.776 5.262 0 50 EKAA Cc1ccc2cccc(OCCCOc3ccc(Cl)cc3C)c2n1 13285152 IRTLMXOBRSTZCZ-UHFFFAOYSA-N 341.838 5.353 0 50 EKAA CCc1cc(C(=O)N[C@H](CC)c2ccc([C@H](C)CC)cc2)cs1 20607061 VAXFPBQRSMBKSV-AUUYWEPGSA-N 329.509 5.705 0 50 EKAA Cc1cccc2cc(C(=O)Nc3cnccc3Oc3ccccc3)oc12 499631752 NUFJIJOYIMANQA-UHFFFAOYSA-N 344.370 5.181 0 50 EKAA CC(C)c1nc2cc(NC(=O)c3ccc4sccc4c3)ccc2o1 1875288969 NYVJUFQWBMOXNI-UHFFFAOYSA-N 336.416 5.418 0 50 EKAA C[C@@H](Nc1ccc2ncsc2c1)c1ncc(-c2ccc(F)cc2)o1 1875336358 XVXRTRIFZSOSAH-LLVKDONJSA-N 339.395 5.264 0 50 EKAA COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccccc1 280314 TWLFJLIHFZCANB-UHFFFAOYSA-N 337.394 5.025 0 50 EKAA COc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 441632 JWXUREARNCTUMO-HXUWFJFHSA-N 349.455 5.167 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)CCSc1ccc(Cl)cc1 453549 BDKUREWMSUKAMQ-UHFFFAOYSA-N 340.275 5.423 0 50 EKAA C/C=C/c1c(F)c(F)c(Oc2cccc(NC(C)=O)c2)c(F)c1F 471321 LNCLSFDHBKOKHU-HWKANZROSA-N 339.288 5.027 0 50 EKAA Cc1cccc(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)c1 482310 ZGWVPPXRMDWDAF-UHFFFAOYSA-N 337.806 5.693 0 50 EKAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc2ccccc2c1 2934119 AJYVUYYFTZGFOS-UHFFFAOYSA-N 338.410 5.078 0 50 EKAA C[C@@]1(c2ccccc2)c2ccccc2-c2c(Br)cccc21 218819516 PZZHUKPHKDLYAD-HXUWFJFHSA-N 335.244 5.784 0 50 EKAA CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc2ccccc12 359071 CHSANYIVYJJJLK-INIZCTEOSA-N 333.431 5.371 0 50 EKAA O=C(NC1CCCC1)c1cccc(COc2ccc3ccccc3c2)c1 469391 YVCMXVARANXSFP-UHFFFAOYSA-N 345.442 5.091 0 50 EKAA CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3843389 QFEHNMKROHXPFO-DNDRQTMDSA-N 338.532 6.061 0 50 EKAA biogenic CC(C)(C)c1ccc(-c2cc(-n3cccc3)c3ccccc3n2)cc1 4541754 HVBHVQFYNAMMKM-UHFFFAOYSA-N 326.443 5.990 0 50 EKAA CC(C)[C@H](C)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746304 JERJAAHYNIGGSX-KRWDZBQOSA-N 341.454 6.243 0 50 EKAA in-vitro CC[C@H](C(=O)Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1 28426 HRBDFGAUYAQPPT-KRWDZBQOSA-N 336.460 5.251 0 50 EKAA Clc1cccc(-c2nc(NCc3ccco3)c3ccccc3n2)c1 149814 HNSHKXFBJLRJSR-UHFFFAOYSA-N 335.794 5.155 0 50 EKAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4)c3)nc2c1 191823 SSOZMWMZXSLEAZ-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA O=C1C[C@H](c2ccccc2C(F)(F)F)c2c(ccc3ccccc23)N1 258576 SXYKIZWQVXHPDX-OAHLLOKOSA-N 341.332 5.333 0 50 EKAA Cc1ccc(C)c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 441727 UQAXPIUWSSOZOI-OAQYLSRUSA-N 347.483 5.776 0 50 EKAA O=C(CCc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 442619 ZJWCOSFZCLVLRS-UHFFFAOYSA-N 328.626 5.218 0 50 EKAA CC(=O)c1cccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 610218 GKKOFFAPOPTRDQ-UHFFFAOYSA-N 338.451 5.780 0 50 EKAA Cc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 618955 SXOMRAVTRPQFQS-UHFFFAOYSA-N 334.444 5.596 0 50 EKAA Cc1ccc(C)c(OCCCC(=O)Nc2ccc(Cl)cc2C)c1 1779308 KAHJGUUJGPSVLI-UHFFFAOYSA-N 331.843 5.063 0 50 EKAA COc1ccc(-c2nc3ccccc3nc2Nc2ccccc2)cc1 3878902 FNNXZHNBPFWPHA-UHFFFAOYSA-N 327.387 5.049 0 50 EKAA Fc1ccc(N2C[C@@H](c3ccccc3)C(c3cccs3)=N2)c(F)c1 4020830 JTLKBBZMZCQYBA-HNNXBMFYSA-N 340.398 5.034 0 50 EKAA Cc1ccc(C)c([C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 5793801 DEOYDVAGDKZVNR-GSQFEDNKSA-N 325.496 5.087 0 50 EKAA Cc1ccc2c(CC(=O)Nc3c(Cl)cccc3Cl)coc2c1 6703320 SRSYDNGDBRGXJI-UHFFFAOYSA-N 334.202 5.229 0 50 EKAA Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1 95830001 ARZDANJGUJGWIO-UHFFFAOYSA-N 346.473 6.667 0 50 EKAA COc1ccc(NC(=O)N2c3cc(C)ccc3C(C)=CC2(C)C)cc1 207438 HSEYKGLQTJILCW-UHFFFAOYSA-N 336.435 5.238 0 50 EKAA O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 276714 MGSBGUAPAOTNAC-UHFFFAOYSA-N 332.186 5.506 0 50 EKAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc2ccccc12 453045 APWZCEYXDBGMCQ-CQSZACIVSA-N 334.394 5.352 0 50 EKAA C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)(C)C 527687 UEQVFZKAEWNZPI-OAHLLOKOSA-N 332.447 5.066 0 50 EKAA CCc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 859328 PTOXZQXVPJWDKL-UHFFFAOYSA-N 331.415 5.080 0 50 EKAA C[C@@H](C(=O)c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 4529673 XCVBREXJNRYOBA-XMSQKQJNSA-N 342.438 5.562 0 50 EKAA CCC(C)(C)C1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1 20573073 JXNYZJROAMMESP-UHFFFAOYSA-N 328.500 5.292 0 50 EKAA O=C(Nc1cccc(Cl)c1)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 252640072 YQNTWNOXMQOVET-PWCSWUJKSA-N 329.871 5.607 0 50 EKAA O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccs1 609843 FHDPLURODSGGAA-UHFFFAOYSA-N 329.808 5.446 0 50 EKAA Cc1cc(C)c2c(CC(=O)Nc3cccc(Cl)c3Cl)coc2c1 1105731 JCRDYBJCMAATPQ-UHFFFAOYSA-N 348.229 5.538 0 50 EKAA CCc1ccccc1OCCCCn1c2ccccc2c2ccccc21 2993171 VUXMULXZTVEPAJ-UHFFFAOYSA-N 343.470 6.216 0 50 EKAA O=C(Nc1nc(-c2ccccc2)cs1)Nc1cccc2ccccc12 3032997 VBPBEPUKHJETPQ-UHFFFAOYSA-N 345.427 5.607 0 50 EKAA CC(C)Cn1c(-c2csc3c2CC[C@@H](C(C)(C)C)C3)n[nH]c1=S 6493096 ACQAJYPEZDRPHY-GFCCVEGCSA-N 349.569 5.476 0 50 EKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 6680793 VBRKHYVVZHWUSP-JTHBVZDNSA-N 340.426 5.237 0 50 EKAA Cc1ccccc1-c1ccc2[nH]c3ccc(-c4ccccc4C)cc3c2c1 113631053 IKXASSREATZHGT-UHFFFAOYSA-N 347.461 7.272 0 50 EKAA CC[C@@H]1CCCCCN1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 170635672 SKMBQCFXWBYKJN-OAHLLOKOSA-N 348.535 5.122 0 50 EKAA COc1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)cc1 316653 KXDYBEQIFBPFCL-UHFFFAOYSA-N 348.833 5.414 0 50 EKAA CCc1cccc(C)c1NC(=O)c1csc(C)c1-c1ccccc1 1052024 VNXHEGGUWVFXOL-UHFFFAOYSA-N 335.472 5.847 0 50 EKAA CCCCOc1ccc(OC(=O)Nc2cc(Cl)ccc2C)cc1 2165567 GLDHKPMEGGKTFL-UHFFFAOYSA-N 333.815 5.438 0 50 EKAA Cc1cccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)c1 2505841 CIGOGWCBUXBRCM-ZDUSSCGKSA-N 342.508 5.042 0 50 EKAA Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1C1(CCCCC1)O2 5716141 ICKWCUODSWBVCO-MRXNPFEDSA-N 342.826 5.137 0 50 EKAA CC[C@H](C)c1ccc(NC(=S)Nc2ccc(OC)cc2C)cc1 8682740 BLBOGNWRCZWBRL-ZDUSSCGKSA-N 328.481 5.326 0 50 EKAA CCOc1ccccc1NC(=O)N[C@H](CC)c1ccc(Cl)cc1 13328966 KYZFSYKPJMKVLP-OAHLLOKOSA-N 332.831 5.012 0 50 EKAA Cc1ccccc1OB(Oc1ccccc1C)Oc1ccccc1C 169809061 RTMBXAOPKJNOGZ-UHFFFAOYSA-N 332.208 5.134 0 50 EKAA CCC[C@@H]1CCCN1C(=O)c1ccc(-c2cccc3cccnc23)cc1 584893823 PYFHQCZRJVGXLU-HXUWFJFHSA-N 344.458 5.307 0 50 EKAA Cc1ccc(N(C(=O)c2ccco2)c2ccc3ccccc3c2)cc1 241678 FJFHQMDHCYPFRB-UHFFFAOYSA-N 327.383 5.720 0 50 EKAA CCc1ccc(-c2cc(N3CCCC[C@H]3C)c3ccccc3n2)cc1 4542574 KELGJPBOCITEGF-QGZVFWFLSA-N 330.475 5.843 0 50 EKAA CCCCOc1cccc(-c2cc(C(=O)O)c3cccc(C)c3n2)c1 6042755 GFVKUUODNSEMTR-UHFFFAOYSA-N 335.403 5.087 0 50 EKAA O=C(NCCC1=CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl 13320434 LYSODAJZOQFIAY-UHFFFAOYSA-N 346.780 5.371 0 50 EKAA FC(F)(F)c1cc(-c2ccc(Cl)s2)nc2onc(C3CC3)c12 20605780 RCOIRWDHDPASQW-UHFFFAOYSA-N 344.745 5.501 0 50 EKAA Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(-c3ccccc3)cc2)n1 71978147 IVRBQWRCLJTSCD-UHFFFAOYSA-N 341.389 5.199 0 50 EKAA C[C@]12CC[C@@]3(CS3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 118918326 NHSADEZTTCEMTD-YRQPXTNQSA-N 334.569 5.266 0 50 EKAA biogenic Cc1ccc2nc(Nc3ccccc3Br)cc(C)c2c1 446335 UAYBFEPOWAWCIL-UHFFFAOYSA-N 327.225 5.358 0 50 EKAA CC(C)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 447589 NOLKKMZTRYFLHX-UHFFFAOYSA-N 338.234 5.281 0 50 EKAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccs4)c3)nc2c1 452621 XOYVFUPVQQFKKP-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA O=C(NCc1ccccc1Cl)c1ccccc1Oc1ccccc1 611133 IPICCBCPDIMCHU-UHFFFAOYSA-N 337.806 5.062 0 50 EKAA Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 1031692 KNQQKKJIUATUAK-SFTDATJTSA-N 340.470 5.146 0 50 EKAA CCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc12 2079450 UATIEVSAWAMFHU-UHFFFAOYSA-N 349.430 5.176 0 50 EKAA CCCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 2233396 VSDJCOOTFWTXFT-UHFFFAOYSA-N 346.789 5.416 0 50 EKAA Cc1ccc(Cn2c(/C=C/c3ccc(F)cc3)nc3ccccc32)cc1 4846072 FIFHUJXILTUCEG-NTCAYCPXSA-N 342.417 5.703 0 50 EKAA CCCCCC[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1C 5512522 FZXUXQSWWHWPNU-GJZGRUSLSA-N 326.864 5.318 0 50 EKAA in-vitro COc1ccc(N[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cc1 139907190 JJVPUMVFPVRPEK-GOSISDBHSA-N 326.827 5.319 0 50 EKAA O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc3ccccc3c2N1 124085 FCFATTPLAYEOGN-HNNXBMFYSA-N 342.225 5.621 0 50 EKAA Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 433704 OBTZDIRUQWFRFZ-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA COc1ccc(/C=C(/C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 859441 CMWRLIPUXPUPNE-CJLVFECKSA-N 343.426 5.183 0 50 EKAA CN1CC[C@@H](c2ccccc2)[C@@H](c2ccccc2)c2ccccc2C1 2172295 SNUVBTJYLUPNFL-ZEQRLZLVSA-N 327.471 5.438 0 50 EKAA Cc1nc(C)c(-c2csc(Nc3ccc(C)c(Cl)c3)n2)s1 2860664 LWHMLPXVUVSNHN-UHFFFAOYSA-N 335.885 5.589 0 50 EKAA O=C1[C@]2(CCC[C@]13C[C@H]3c1ccc(F)cc1)C[C@H]2c1ccc(F)cc1 245255611 JCDLEAKSDWPKHB-SEIRJHJZSA-N 338.397 5.365 0 50 EKAA C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]32)C[C@]12CS2 1772492703 YQPXGHUOOLIGIF-BRQDPECCSA-N 348.596 5.512 0 50 EKAA COc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccccc2)cc1 476661 YFYQEDXUPGIQJG-NRFANRHFSA-N 331.415 5.121 0 50 EKAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)cc1 1778150 WATUQZCTRLQIDU-IZZDOVSWSA-N 329.827 5.089 0 50 EKAA O=C(c1ccccc1)c1cc(F)c(N2CCCCCC2)cc1Cl 2813537 NWVWAJAVNFKFIZ-UHFFFAOYSA-N 331.818 5.091 0 50 EKAA Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccccc1Oc1ccccc1 3000017 TZPVGHPGIZLZRR-UHFFFAOYSA-N 349.430 5.930 0 50 EKAA O=C(CSc1cccc(Cl)c1)Nc1cccc2ccccc12 5013735 ZPVBCFPOMCMYMA-UHFFFAOYSA-N 327.836 5.224 0 50 EKAA CC(C)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 25577472 UEYKVUJCRXXRHA-GGAORHGYSA-N 342.442 5.365 0 50 EKAA Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)cc1 36620556 GPCMORYKKNXFLA-GOSISDBHSA-N 328.843 5.326 0 50 EKAA Cc1sc(=Nc2cccc(C(F)(F)F)c2)n(C)c1-c1ccccc1 254623394 KFUZUHLUYLBDGY-UHFFFAOYSA-N 348.393 5.313 0 50 EKAA Cc1cc(Nc2ccc(-c3cccc(F)c3F)cn2)nc2ccccc12 2356136393 SJDRKYCZOUVGPW-UHFFFAOYSA-N 347.368 5.627 0 50 EKAA Cc1nc(C)c(-c2csc(Nc3cccc(Cl)c3C)n2)s1 190471 JCLMIGXGELVNBL-UHFFFAOYSA-N 335.885 5.589 0 50 EKAA Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)oc2c1 277322 DUJIMXIBZOQCEY-PKNBQFBNSA-N 344.370 5.048 0 50 EKAA CC(C)COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 447462 YQMDIKLQJKRBKN-UHFFFAOYSA-N 338.234 5.281 0 50 EKAA Cn1nc(C2CC2)c2c(C(F)F)cc(-c3cccc4ccccc34)nc21 2740939 WLTYNRJYURXAPX-UHFFFAOYSA-N 349.384 5.604 0 50 EKAA CCc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cs1 2784869 DWFUXSIEULPQGE-UHFFFAOYSA-N 342.489 5.303 0 50 EKAA Cc1c(Cl)cccc1NC(=S)Nc1ccccc1OC(F)F 3455813 FCOHRQUWVLXPIK-UHFFFAOYSA-N 342.798 5.059 0 50 EKAA Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 4811282 DYAISFCIFGSCHN-QGZVFWFLSA-N 347.414 5.193 0 50 EKAA CCc1cc(C(=O)N[C@@H](CC)c2ccc(C(C)(C)C)cc2)cs1 20607225 IURSVPDTCNAKNU-SFHVURJKSA-N 329.509 5.489 0 50 EKAA Cc1noc(C)c1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 265398884 VKJSDYIXIRHCJU-MRXNPFEDSA-N 347.846 5.094 0 50 EKAA COc1cc(C)ccc1OCCOc1c(C)cc(Cl)cc1Cl 2985234 QGZUIISLVQVFJB-UHFFFAOYSA-N 341.234 5.077 0 50 EKAA Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4363026 XYHDHXBLSLSXSR-UHFFFAOYSA-N 335.450 5.652 0 50 EKAA FC(F)(F)c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 169621093 INZRMVATIRHCQC-UHFFFAOYSA-N 341.638 5.565 0 50 EKAA CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)C1CC1 169664 WUVAPSCTCXBXMQ-UHFFFAOYSA-N 333.503 5.198 0 50 EKAA C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 2875532 FOJABVDCXMLNDC-INIZCTEOSA-N 349.455 5.244 0 50 EKAA CC(C)(C)N1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 33639148 UIPXASUPMLVUNE-PMACEKPBSA-N 343.898 5.319 0 50 EKAA O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc2ncccc2c1 1875298532 DNDWTFZGUOZSAQ-UHFFFAOYSA-N 340.382 5.279 0 50 EKAA CC(C)Oc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2)cc1 275309 RKBSIRURGZBQEG-QFIPXVFZSA-N 339.759 5.441 0 50 EKAA CC1CCN(c2ccccc2NC(=O)c2ccc(C(C)C)cc2)CC1 558400 DBBOTEBIEYTHDM-UHFFFAOYSA-N 336.479 5.299 0 50 EKAA CC(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 587074 UQGFPICWFIKTBA-UHFFFAOYSA-N 330.840 5.211 0 50 EKAA CCCCOc1ccccc1NC(=O)COc1ccc(C(C)C)cc1 1777462 RXYGFNMZXSJENC-UHFFFAOYSA-N 341.451 5.006 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 2736266 OHAXOXOAGAHGQA-KRWDZBQOSA-N 329.443 6.119 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1 3124329 WBOHVJBPFWFXEC-UHFFFAOYSA-N 330.309 5.503 0 50 EKAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3ccccn3)oc2c1C 15070610 IPQAPAQUKGCTCL-LJQANCHMSA-N 348.446 5.120 0 50 EKAA Cc1nc(C)c(CNc2ccc(N3CCc4ccccc43)cc2)s1 2325824739 OHNBZIUQEKCOMK-UHFFFAOYSA-N 335.476 5.066 0 50 EKAA Cc1c2occ(-c3ccc(F)cc3)c2cc2c3c(c(=O)oc12)CCC3 95258 GLWSKFMLMOYXFS-UHFFFAOYSA-N 334.346 5.142 0 50 EKAA biogenic Cc1ccnc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 447068 VUIVKDRFKNEDOR-UHFFFAOYSA-N 336.247 5.564 0 50 EKAA CC(=O)c1cccc(NC(=O)Nc2ccccc2-c2ccccc2)c1 610775 ZCJHFHDMZLEELY-UHFFFAOYSA-N 330.387 5.200 0 50 EKAA Cc1ccc(CCCCCCCCCC(=O)Nc2ccccc2)s1 2839282 QLEDDHNPODLZMU-UHFFFAOYSA-N 343.536 6.359 0 50 EKAA CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3843392 QFEHNMKROHXPFO-WMDIELAYSA-N 338.532 6.061 0 50 EKAA biogenic C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl 13330003 KSTDEKAHHHHLQZ-SECBINFHSA-N 343.641 5.530 0 50 EKAA C1CCC(C2C[C@H](C3CCCCC3)N[C@@H](C3CCCCC3)C2)CC1 71770683 BOWYTYOCTVPDHY-DHIUTWEWSA-N 331.588 6.464 0 50 EKAA Cc1nc2ccc(NC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)cc2s1 100768337 SOMKPRXAQZWWJY-KUHUBIRLSA-N 343.496 5.037 0 50 EKAA CCCCCn1cc(C(=O)NCC[C@@H]2CC[C@H](C)C2)c2ccccc21 1875357439 HOCUGKPOZAEAEG-ROUUACIJSA-N 340.511 5.388 0 50 EKAA O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 374373 HVMXZGIQRXDUIE-GJZGRUSLSA-N 339.744 5.101 0 50 EKAA COc1cc(-c2ccc(C)cc2C)c(OC)cc1-c1ccc(C)cc1C 2173595 KOAHZUCLZXQMAP-UHFFFAOYSA-N 346.470 6.271 0 50 EKAA Cc1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 2194416 YBTDDSDBEPNWJD-UHFFFAOYSA-N 344.530 5.431 0 50 EKAA O=C1CCCCC[C@H]1[C@H](Nc1ccc2ccccc2c1)c1ccncc1 5395279 AXDLHUVJQAUSML-FYYLOGMGSA-N 344.458 5.537 0 50 EKAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@]4(C)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257346450 HCGWHJRCLCRJFR-CZIVXSDSSA-N 330.512 5.194 0 50 EKAA CC(C)(C)[C@H]1CCC2(SCCCS2)/C(=C\c2ccccc2)C1 1501069219 SHGKTCPSDGXCOA-SKQHNDAPSA-N 332.578 6.483 0 50 EKAA CC(C)(C)C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1 1875306570 KTQNDMUMXIPESN-MOPGFXCFSA-N 349.877 5.280 0 50 EKAA S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CCCCC1 538366 GTPLBUCGODOBJL-UHFFFAOYSA-N 325.481 5.049 0 50 EKAA CCCCc1cc(=O)oc2cc(C)cc(OCc3ccccc3F)c12 2811615 DIZZVTPDHXDMEM-UHFFFAOYSA-N 340.394 5.162 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1Cl 64984611 JFNXQAWBZXKKGN-INIZCTEOSA-N 347.846 5.129 0 50 EKAA CC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1ccsc1 65381263 QDSBOJMPVGJIRA-KRWDZBQOSA-N 348.475 5.012 0 50 EKAA C[Si](C)(C)C[C@@H](c1ccccc1Cl)n1nnc2ccccc21 195814944 RTECOHQNYSUTFW-KRWDZBQOSA-N 329.907 5.012 0 50 EKAA Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)CC1CCCCC1 2325842379 WQLUDVUQESSQMC-NQIIRXRSSA-N 329.528 5.805 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 276247 NPLFGESIZLHTHX-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA CC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 447382 VKHLXWLPPAWGJX-UHFFFAOYSA-N 339.778 5.055 0 50 EKAA Cc1ccc(-c2cnc(C)c(-c3ccccc3)c2)nc1-c1ccccc1 2837917 HMKPGYCOAYAUHM-UHFFFAOYSA-N 336.438 6.094 0 50 EKAA Cc1scc(C(=O)N2CCC[C@H]2c2ccccn2)c1-c1ccccc1 77320748 PSEFSEWLHISUAB-IBGZPJMESA-N 348.471 5.096 0 50 EKAA Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C)cc3)c2)cc1 1875318910 ZFAJADCPXLLOJE-UHFFFAOYSA-N 330.431 5.292 0 50 EKAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(F)c1 122491 ODSDCHYHQNMGTR-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA Cc1cc(-c2ccc(C(C)C)cc2)n(-c2cccc3cccnc23)n1 247966 KSWBJYOIJZCHMR-UHFFFAOYSA-N 327.431 5.519 0 50 EKAA CCOc1ccccc1NC(=O)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 451555 MAXNMPDTIHONSU-FYQIFJIOSA-N 339.479 5.353 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccc(Cl)c1 473837 CQDMWFRSCWAQDG-AWEZNQCLSA-N 331.843 5.178 0 50 EKAA Cc1cc(OC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 2172417 ODPQPLCYYYRJDH-UHFFFAOYSA-N 329.705 5.278 0 50 EKAA CC1=CC[C@H](c2cnc(-c3ccccc3)c(C)c2)N[C@@H]1c1ccccc1 3877682 BFOABBHAZZULHP-VWNXMTODSA-N 340.470 5.779 0 50 EKAA COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 4321094 LUQFMBVWNUGYPF-QFIPXVFZSA-N 346.405 5.190 0 50 EKAA C[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(C)(C)C)cc1 20551136 JKSLELUKXRGDFU-HNNXBMFYSA-N 336.479 5.356 0 50 EKAA CCC(=O)[C@@H]1[C@H](OC)C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257345543 APPBLCHOWOIYLW-KQDSFGJDSA-N 346.555 5.639 0 50 EKAA O=C(O)/C=C/c1ccccc1Oc1ccc(OCc2ccccc2)cc1 168007 JQMLAYZHMPOUGD-XNTDXEJSSA-N 346.382 5.156 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(F)cc1Cl 398379 PZFIFSGNVQCEGW-UHFFFAOYSA-N 334.561 5.397 0 50 EKAA Cc1cccc(SCC(=O)Nc2cccc(Cl)c2Cl)c1 401155 LMAUVIIHEVHRFC-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA COc1ccc(-c2cn(-c3ccc4ccccc4c3)c(=S)[nH]2)cc1 407329 YOQTXKMBXHBGGX-UHFFFAOYSA-N 332.428 5.364 0 50 EKAA Cc1ccc(SCCC(=O)c2ccc(-c3ccccc3)cc2)cc1 2519801 VBVHJUVDCFIVRF-UHFFFAOYSA-N 332.468 6.027 0 50 EKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ccccc1 2845283 KQRYIQJXQZEDGK-UHFFFAOYSA-N 342.225 5.913 0 50 EKAA Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1Cl 4542030 SLEZFMRMPWINNI-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA CCO[C@]12c3ccccc3O[C@@H](c3ccccc3)[C@@]1(C)C2(Cl)Cl 16134231 LTTXHCFFVPHQAN-RCCFBDPRSA-N 349.257 5.246 0 50 EKAA FC(F)(F)c1ccccc1-c1ccc(OCc2ccccc2)cc1 74938268 CCAJMBTXTTUNLC-UHFFFAOYSA-N 328.333 5.951 0 50 EKAA in-vitro Cc1c(C2CCCCC2)noc1NC(=O)c1cccc(Cl)c1F 332624206 FPBCDEVQGHXCLM-UHFFFAOYSA-N 336.794 5.076 0 50 EKAA Cc1sc(NC(=O)c2cccs2)nc1-c1ccc(Cl)cc1 260294 AJKFPSPBPZRONG-UHFFFAOYSA-N 334.853 5.086 0 50 EKAA Cc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 372418 IEGAEMPSPYFPOY-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1Cl 476005 JWSDNGSXOKQOFX-JTQLQIEISA-N 338.209 5.114 0 50 EKAA Cc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)c(C)c1 2526072 HUXFMRZUSBCZPS-UHFFFAOYSA-N 325.795 5.179 0 50 EKAA O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl 3612929 WYEMLYFITZORAB-UHFFFAOYSA-N 343.213 5.308 0 50 EKAA biogenic,world Clc1cccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c1 3897210 SAEMXQXWFKVTMX-OAQYLSRUSA-N 332.834 5.696 0 50 EKAA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257346252 WCRNVUWHLPSYKR-FBNRLGLFSA-N 346.555 5.845 0 50 EKAA CSCc1ccccc1NC(=O)c1cc(C)cc2c1NCC[C@H]2C 2325842780 IIXCFTFDLFTWFN-CQSZACIVSA-N 340.492 5.029 0 50 EKAA CCCc1cc(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 95331 ISNCCHHBOVGGGA-UHFFFAOYSA-N 336.362 5.606 0 50 EKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc2ccccc2c1 455257 YTFMCBUBLOBQFL-UHFFFAOYSA-N 338.410 5.836 0 50 EKAA O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccccc2Cl)o1 539262 INYQBULCTKXYOC-UHFFFAOYSA-N 347.801 6.006 0 50 EKAA CCCCc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 1773580 PKCQLZOPZRMICV-UHFFFAOYSA-N 345.870 5.480 0 50 EKAA Cc1cccc2c(C(=O)O)cc(-c3ccc(Cl)cc3Cl)nc12 2749563 SERVWJLISXGXPS-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)s1 13744551 CSNVHJUQPFCXFU-ZETCQYMHSA-N 333.215 5.077 0 50 EKAA CCCCCC[C@H](C)Nc1ccc(N[C@H](C)CCCCCC)cc1 14807143 APTGHASZJUAUCP-BGYRXZFFSA-N 332.576 7.228 0 50 EKAA Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1C 15866989 ANYGLDNZYLKVEN-QGZVFWFLSA-N 328.481 5.514 0 50 EKAA Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccc(Br)cc1)N2 35360509 CXVIDGGMNLBIKW-JCGIZDLHSA-N 344.252 5.002 0 50 EKAA CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 445573 KYTAGMXMXNDSSZ-UHFFFAOYSA-N 344.625 5.298 0 50 EKAA COc1cc(C)c(C(=S)Sc2ccccc2)c(C)c1C(C)C 2023003 FTNNVXYEAXIXOQ-UHFFFAOYSA-N 330.518 5.903 0 50 EKAA CCCCCOc1ccc(-c2ccc(OCCCCC)cc2)cc1 2522824 XTKHESQIKTWMCD-UHFFFAOYSA-N 326.480 6.492 0 50 EKAA in-vitro C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1Cl 2774276 OAPBEAXCURUBCJ-WONIAPNHSA-N 348.273 5.144 0 50 EKAA c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 4336427 XFVZHFLPHLUWLZ-JTSKRJEESA-N 343.451 5.663 0 50 EKAA C[C@H](CCc1ccc(O)cc1)N[C@@H](Cc1ccccc1)c1ccccc1 5722991 TZRUIISVMVCADI-DVECYGJZSA-N 345.486 5.287 0 50 EKAA Cc1cc(C)c2nc(-c3ccc(CC(C)C)cc3)cc(C(=O)O)c2c1 6255353 MXTUESDPDNFWPY-UHFFFAOYSA-N 333.431 5.415 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)c1c(-c2ccccc2)noc1C 476225 WMAMIEZODHDKKA-UHFFFAOYSA-N 334.419 5.334 0 50 EKAA Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1775870 WKCYYHRFCKDWDR-UHFFFAOYSA-N 338.234 5.100 0 50 EKAA c1ccc(-n2cccc2P(C2CCCCC2)C2CCCCC2)cc1 2553987 RVFZOTGUPNHVRA-UHFFFAOYSA-N 339.463 6.250 0 50 EKAA Cc1ccc(-c2noc([C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 2862767 RVDRMIVSJKFSBY-OAHLLOKOSA-N 336.435 5.483 0 50 EKAA Clc1ccc(N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 4010608 OSBCZYMEYDSLKX-OAHLLOKOSA-N 344.892 5.819 0 50 EKAA OC1(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc21 4530535 ZCDSEQDMFSDSAL-UHFFFAOYSA-N 334.418 5.618 0 50 EKAA CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O 4543732 WBBQTNCISCKUMU-PDBXOOCHSA-N 334.544 7.221 0 50 EKAA endogenous,in-man CCCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 13777697 QZIXMFSJPVNMSS-VZCXRCSSSA-N 342.895 5.903 0 50 EKAA Cc1cc(Br)c(C)c(Oc2c(C)cc(Cl)cc2C)n1 139702958 KFAUHKGODXFTTP-UHFFFAOYSA-N 340.648 5.523 0 50 EKAA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 443374 SMMFWYAGPPOQMC-BQYQJAHWSA-N 325.717 5.011 0 50 EKAA Fc1ccccc1COc1ccc(Cl)cc1CNC1CCCC1 2177949 KTYYHCBKZZTAOI-UHFFFAOYSA-N 333.834 5.090 0 50 EKAA c1ccc(C2=N[C@H](c3ccccc3)c3c(ccc4ccccc34)N2)cc1 2494480 RLLZDIXPNCTESL-HSZRJFAPSA-N 334.422 5.802 0 50 EKAA CC[C@@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)c1ccccc1 4810587 PIHMBQLOAGWUJZ-GOSISDBHSA-N 336.460 5.251 0 50 EKAA CC(C)(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 5051295 UBFOMEVVILXZID-UHFFFAOYSA-N 339.332 5.394 0 50 EKAA C[C@@H](c1ccc(-c2ccc(C(=O)O)c(Cl)c2)cc1)N1CCCCC1 67688511 MPZDCOORZZDYCK-AWEZNQCLSA-N 343.854 5.252 0 50 EKAA Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1C(=O)c1ccccc1 196492669 GXMUNIXRMOLAOJ-UHFFFAOYSA-N 328.411 5.074 0 50 EKAA CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1 242559 RWKVIVOTEFBZOE-FMIVXFBMSA-N 344.252 5.224 0 50 EKAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 2875533 FOJABVDCXMLNDC-MRXNPFEDSA-N 349.455 5.244 0 50 EKAA CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](C)CO 13782510 ADRRUPVKLINJKD-FNUGXZCYSA-N 337.548 5.297 0 50 EKAA in-vitro CCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21 13961164 UIPBIUDJZLHMHT-UHFFFAOYSA-N 333.357 5.284 0 50 EKAA CN(C)CCS[C@H](c1ccc(Cl)cc1)c1ccccc1Cl 96026369 XACPRDBUDHEVBD-QGZVFWFLSA-N 340.319 5.378 0 50 EKAA CC(C)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 563641 NMGFSQGJRIPVSB-UHFFFAOYSA-N 346.268 5.257 0 50 EKAA aggregator COc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1Cl 858936 CBVNPWJMAOEDJJ-IZZDOVSWSA-N 329.827 5.124 0 50 EKAA CC(C)(C)CC(C)(C)c1cc(O)c(C(C)(C)CC(C)(C)C)cc1O 2582032 CLDZVCMRASJQFO-UHFFFAOYSA-N 334.544 6.525 0 50 EKAA Oc1ccc(-c2cc(Nc3cc(Cl)cc4ccsc34)n[nH]2)cc1 71257079 GSUHFFPVQTYCOG-UHFFFAOYSA-N 341.823 5.394 0 50 EKAA CC(C)=CCC[C@@]1(C)Oc2cc(C)cc3c2[C@H]2C[C@@](C)(CC[C@H]21)O3 1772820507 XJZUAVILVOHKCU-LFWOZUSOSA-N 326.480 5.927 0 50 EKAA Cc1c(C)c(Cl)c(Br)c(Br)c1Cl 390986 XUWXIFLKDAQDEL-UHFFFAOYSA-N 332.850 5.135 0 50 EKAA Clc1ccc(-c2noc(COc3cccc4ccccc34)n2)cc1 441111 SYYNJDMQPMFDHC-UHFFFAOYSA-N 336.778 5.122 0 50 EKAA Cc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1Cl 558406 HMTNCXRVCSMMIU-UHFFFAOYSA-N 342.870 5.137 0 50 EKAA CCCCc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl 2918024 DBROYFAQJYRAFU-UHFFFAOYSA-N 347.245 5.035 0 50 EKAA Cc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 4956919 JOTVDWOEWXGWBW-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)cc1 5739394 UNZKNFZFOFTADW-IBGZPJMESA-N 336.410 5.030 0 50 EKAA O=C(NC1CCCCC1)c1ccc(COc2cccc3ccccc23)o1 115426 YCMDILRCBAIUGT-UHFFFAOYSA-N 349.430 5.074 0 50 EKAA CC(C)CN(CC(C)C)C(=O)Nc1c(C(C)C)cccc1C(C)C 397221 HAQLSEDBVBNDOD-UHFFFAOYSA-N 332.532 6.079 0 50 EKAA O=C(c1ccccc1)[C@@H](Sc1nc2ccccc2o1)c1ccccc1 476620 BFGRECJICGNNMH-FQEVSTJZSA-N 345.423 5.544 0 50 EKAA CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccc(C)cc1 555056 SGCINRPHEUMEJS-HNNXBMFYSA-N 327.493 5.239 0 50 EKAA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2CCc2ccccc2)cc1 608608 XIRIQJODFNFBAV-UHFFFAOYSA-N 337.492 5.148 0 50 EKAA CCCCc1ccc([C@]2(C)CC(C)(C)N(C(C)=O)c3ccccc32)cc1 2273343 WJMXZSHYYUTPJP-DEOSSOPVSA-N 349.518 5.870 0 50 EKAA COc1cc(Cl)cc(CNC(C)(C)CC(C)(C)C)c1OC(C)C 2884271 XMSBRBRZSSUMQD-UHFFFAOYSA-N 341.923 5.440 0 50 EKAA C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3C(C)(C)C3(Cl)Cl)c21 4107562 RCLDZICXMAUTNU-IINYFYTJSA-N 340.294 5.240 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 4184235 HDNYFXYPIITMDE-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Fc1ccc(-n2ncc3c(C(F)F)cc(-c4ccccc4)nc32)cc1 20602775 JSUBXSZXYUWEBR-UHFFFAOYSA-N 339.320 5.164 0 50 EKAA Cn1ccnc1-c1cccc(NCc2csc(Cl)c2Cl)c1 225459881 SJIFBILSSNUYND-UHFFFAOYSA-N 338.263 5.068 0 50 EKAA Clc1ccc(-n2nc(-c3cccs3)nc2[C@@H]2[C@H]3CCC[C@H]32)cc1 1875347692 COJRJRJJLBJAGX-FOLVSLTJSA-N 341.867 5.163 0 50 EKAA O=C1C[C@H](c2c(F)cccc2Cl)c2c(ccc3ccccc23)N1 475327 JLSBGLCGMJLBHS-ZDUSSCGKSA-N 325.770 5.106 0 50 EKAA CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C 1757468 ODTQUKVFOLFLIQ-UHFFFAOYSA-N 344.325 5.030 0 50 EKAA in-vitro COc1cc(C)ccc1OCCCOc1ccc(Cl)c(C)c1C 4701979 BOGSXVWDRDFDQW-UHFFFAOYSA-N 334.843 5.122 0 50 EKAA CC[C@H](C)c1ccc([C@H](C)NC(=S)NCc2ccc(F)cc2)cc1 13751800 MLLCULQTRUENTM-GJZGRUSLSA-N 344.499 5.065 0 50 EKAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257346452 HCGWHJRCLCRJFR-QXDZREBPSA-N 330.512 5.194 0 50 EKAA CC(C)(C)OC(=O)N1CC=C(c2cc(Cl)cc(Cl)c2)CC1 498051136 VZRUXBWFFRFAEW-UHFFFAOYSA-N 328.239 5.018 0 50 EKAA C[C@H](CC1CCCCC1)C(=O)N1CCCC[C@H]1c1cccc(O)c1 1875343441 IRDLOOVSIYWUJV-UZLBHIALSA-N 329.484 5.052 0 50 EKAA CSc1cccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)c1 334029 HDRGSWUEEYADOO-UHFFFAOYSA-N 346.496 5.220 0 50 EKAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)c(Cl)c1 441689 PODJZOYJHVBOTL-SNVBAGLBSA-N 338.209 5.114 0 50 EKAA CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 620638 YYPZMIZIKAXWMZ-UHFFFAOYSA-N 339.778 5.055 0 50 EKAA COc1cccc(OCCCn2c3ccccc3c3ccccc32)c1 2988452 SHURVIDIAJNXCM-UHFFFAOYSA-N 331.415 5.272 0 50 EKAA Cc1nn(C(=O)c2cccs2)c(C)c1Sc1ccc(Cl)cc1 3893048 OZYKXNRCDFTOGW-UHFFFAOYSA-N 348.880 5.055 0 50 EKAA Cc1ccc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cc2ccncc2)o1 65497444 RMDONRMQQLNXDI-INIZCTEOSA-N 343.430 5.317 0 50 EKAA CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12 72099165 AGUBCDYYAKENKG-NPDDRXJXSA-N 330.512 5.685 0 50 EKAA in-vitro CC(=O)O[C@H]1CCC(C)=CCCC(C)=CC[C@]2(C(C)C)CC[C@@]1(C)O2 1083803595 HVBACKJYWZTKCA-BHDDXSALSA-N 348.527 5.739 0 50 EKAA Cc1cccc2c1N(C(=O)C1CC1)C(C)(C)c1ssc(=S)c1-2 169675 JHYXXOGTZCKKDG-UHFFFAOYSA-N 347.530 5.506 0 50 EKAA O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 2556027 VESNJOQCJLQZSK-UHFFFAOYSA-N 325.367 5.267 0 50 EKAA CC(C)(C)c1cc(SCCc2ccccn2)cc(C(C)(C)C)c1F 8657742 YIJDOYKYKHJOQI-UHFFFAOYSA-N 345.527 6.151 0 50 EKAA CCC(C)(C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 71789401 GUKXLKKRCJYVFK-UHFFFAOYSA-N 341.454 6.171 0 50 EKAA in-vitro Nc1c(-c2nc3ccccc3[nH]2)sc2nc(-c3cccs3)ccc12 220967700 QYIJAIJERZXBKL-UHFFFAOYSA-N 348.456 5.150 0 50 EKAA CC(C)(C)N[C@@H]1C=C(c2ccccc2)Sc2nc3ccccc3n21 675010689 VVAJEIQXCKEXEN-SFHVURJKSA-N 335.476 5.070 0 50 EKAA COc1ccc(CSc2ncc(-c3ccccc3)o2)cc1Cl 1875336032 QLIWOTKUZXQOBS-UHFFFAOYSA-N 331.824 5.296 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2cc1O 295473 VUSHQCFBKYJMAK-UHFFFAOYSA-N 332.186 5.105 0 50 EKAA C/C=C/c1c(F)c(F)c(Oc2ccccc2NC(C)=O)c(F)c1F 472251 RRYRTOHXEZDTRW-ZZXKWVIFSA-N 339.288 5.027 0 50 EKAA CCOc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 620477 MUEAAXYFPLLLSR-UHFFFAOYSA-N 344.794 5.254 0 50 EKAA Cc1ccc(NC(=O)c2csc(C)c2-c2ccccc2)cc1F 2738014 BOSFJVLWOFXOIE-UHFFFAOYSA-N 325.408 5.423 0 50 EKAA Cc1cc2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)n2n1 2766655 PYUWKQCMYTYMFU-UHFFFAOYSA-N 333.357 5.021 0 50 EKAA Cc1cc(C)c2nc(-c3cccc(OCC(C)C)c3)cc(C(=O)O)c2c1 6008583 REZZPNHDSLRTIP-UHFFFAOYSA-N 349.430 5.252 0 50 EKAA COc1ccccc1[C@@H]1CCCN1C(=O)c1oc2ccc(C)cc2c1C 77565499 SJBZFTWVZOZTEZ-SFHVURJKSA-N 349.430 5.036 0 50 EKAA Clc1ccc2nc(Nc3ccccc3)nc(-c3ccccc3)c2c1 444731 NHBAMSRQRDFHNJ-UHFFFAOYSA-N 331.806 5.694 0 50 EKAA Cc1cc(OCC(=O)Nc2ccccc2C(C)C)cc(C)c1Cl 449875 DJFRVJMEMFOSAT-UHFFFAOYSA-N 331.843 5.098 0 50 EKAA O=Cc1cc2ccccc2nc1SCc1ccc(Cl)c(Cl)c1 1394779 GSWVSCLPMUCKTL-UHFFFAOYSA-N 348.254 5.646 0 50 EKAA aggregator CC(C)(C)c1ccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 4833777 OGDBBBUFYLRWMW-UHFFFAOYSA-N 339.523 5.320 0 50 EKAA CCCCCCc1cc2c(C)c(CCCCCC)c(=O)oc2cc1O 11866858 VNFNWYCLRIUJJT-UHFFFAOYSA-N 344.495 6.053 0 50 EKAA Cc1ccc(-n2ccn(Cc3ccc(C4CCCCC4)cc3)c2=O)cc1 2325864729 YFUODAUFADYPCH-UHFFFAOYSA-N 346.474 5.043 0 50 EKAA Cc1cc(C)cc(O[P@](C)(=O)Nc2ccc(OC(C)C)cc2)c1 203174 WXPYLYAURPBRGQ-QHCPKHFHSA-N 333.368 5.404 0 50 EKAA O=C1CCCC[C@H]1[C@@H](Nc1ccc2ncccc2c1)c1ccc(F)cc1 4006128 SBGHKGVVQISYCE-KNQAVFIVSA-N 348.421 5.286 0 50 EKAA CC(C)SCCCCCOc1cccc(Oc2ccccc2)c1 23115479 MZJBNABYCGPWJT-UHFFFAOYSA-N 330.493 6.170 0 50 EKAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1F 67592 JLUWZWGGHXOSNC-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA O=C(N1CCc2ccccc21)N1c2ccccc2Sc2ccccc21 451013 IDVXMZKKTISBCO-UHFFFAOYSA-N 344.439 5.472 0 50 EKAA biogenic Cc1c(Cl)cccc1NC(=O)CCSc1ccc(Cl)cc1 452237 DCTZTKBRYZUJIT-UHFFFAOYSA-N 340.275 5.423 0 50 EKAA CCCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1N 2088288 DGLWRKKPMMMJAJ-UHFFFAOYSA-N 337.444 5.231 0 50 EKAA Cc1ccc(OCCCCCCOc2ccc(C)c(C)c2)cc1C 2885637 WNNLIWVFRMDNSJ-UHFFFAOYSA-N 326.480 5.938 0 50 EKAA Cc1ccc(-c2c(C)nn3c(Nc4cccc(C)c4)cc(C)nc23)cc1 23114978 BVHVNBMEKCTQJM-UHFFFAOYSA-N 342.446 5.374 0 50 EKAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 36620998 HRAVAESNYOSDNA-GOSISDBHSA-N 344.842 5.108 0 50 EKAA C[Si](C)(C)[C@]1(Br)CC1(c1ccccc1)c1ccccc1 169829005 XMQPDUFQGWLSEP-GOSISDBHSA-N 345.356 5.388 0 50 EKAA CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3OCc3ccccc3)[C@H]1[C@H]2C 229843004 DUWXMXJIRAGQTJ-MEQGPTBASA-N 348.486 5.801 0 50 EKAA Cc1ccc(COc2ccc(NC(=O)c3ccccc3C)cc2)cc1 675031226 NXAOTADFIAVPNW-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA COc1cc2c3c(c1)/C(=C\c1ccc(C)cc1)C(=O)N3C(C)(C)C=C2C 1740816886 ZBSUGNPXRIAAKZ-KEBDBYFISA-N 345.442 5.086 0 50 EKAA CCc1cc2c(=O)c(Oc3ccc(C(C)C)cc3)coc2cc1OC 307653 KITOGMFDEFERDL-UHFFFAOYSA-N 338.403 5.280 0 50 EKAA Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1Br 309820 METRYSNUPYBQTI-UHFFFAOYSA-N 340.220 5.163 0 50 EKAA Cc1ccc(C(c2ccc(C)c(C)c2)C(Cl)(Cl)Cl)cc1C 3122181 FRWPFWGOLVNOHP-UHFFFAOYSA-N 341.709 6.422 0 50 EKAA Cc1cc(C)c2nc(-c3ccc(OCC(C)C)cc3)cc(C(=O)O)c2c1 6255366 WUAAHEWPUXOBAJ-UHFFFAOYSA-N 349.430 5.252 0 50 EKAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1Cl 440047 ZPSIKUMJQDMHRE-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA CCCCc1ccc(NC(=O)CCCOc2cccc(C)c2)cc1 1773711 RHCUGFHHBCQDAJ-UHFFFAOYSA-N 325.452 5.135 0 50 EKAA Cn1c(SCc2cccc(C(F)(F)F)c2)c(C=O)c2ccccc21 2381119 WKTNKGSETHERIR-UHFFFAOYSA-N 349.377 5.302 0 50 EKAA c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)[nH]2)cc1 8649112 SCZZKGOODMTKII-UHFFFAOYSA-N 346.433 6.564 0 50 EKAA CCCOc1ccc(N[P@](C)(=O)Oc2cc(C)cc(C)c2)cc1 100315578 DLGVLWOIPBEZRC-HSZRJFAPSA-N 333.368 5.406 0 50 EKAA COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1cccc(C(F)(F)F)c1 313855 QANVPUFJTIHNLJ-UHFFFAOYSA-N 347.336 5.169 0 50 EKAA CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 444248 WSTDTEZNBTZFGV-UHFFFAOYSA-N 344.625 5.298 0 50 EKAA CC(C)=CCC[C@@]1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1 968444 HTNVFUBCWIYPJN-QHCPKHFHSA-N 331.459 6.540 0 50 EKAA endogenous,in-man CCCCNC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C 4865391 FONLIYIJOZTXSN-UHFFFAOYSA-N 340.511 5.384 0 50 EKAA COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2 859866 NGGKYNMLXLWSAB-UHFFFAOYSA-N 337.463 5.124 0 50 EKAA aggregator Cc1c(Cl)cc(C(=O)N2CCCC[C@H]2c2ccccn2)cc1Cl 91860661 YHMJMKYCEALAOL-KRWDZBQOSA-N 349.261 5.064 0 50 EKAA COc1ccc([C@H]2CC(c3ccccc3)=Nc3ccccc3N2)cc1 101985 QVBJIYHYVAUYBK-JOCHJYFZSA-N 328.415 5.373 0 50 EKAA Cc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 406285 TXUFOGJYTKEIQG-NRFANRHFSA-N 330.431 5.101 0 50 EKAA CCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 1219072 PXCKTBYWKXMYKG-UHFFFAOYSA-N 335.190 5.150 0 50 EKAA Cc1c(-c2cccc(Cl)c2)nc2c(C)c(Cl)ccc2c1C(=O)O 2526101 ZQVUXLKHKKUIQV-UHFFFAOYSA-N 346.213 5.524 0 50 EKAA Cc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1 2560548 FJKVRVFGUXMMAO-UHFFFAOYSA-N 340.315 5.640 0 50 EKAA CCCCc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 2774540 JBDRJGYZNGQYPI-CQSZACIVSA-N 331.843 5.089 0 50 EKAA CCc1ccc([C@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 4615126 BZTTTXHMKNUCTK-PFAOJVKKSA-N 325.496 5.033 0 50 EKAA Cc1ccc(/C=C(/Cc2ccc(C)cc2)Sc2ccccc2)cc1 5413754 TXRQNDJKZYZDBR-KQWNVCNZSA-N 330.496 6.679 0 50 EKAA COc1cccc([C@@H]2CCCN2C(=O)c2oc3ccc(C)cc3c2C)c1 12712089 XESUWYBQEOIGLA-IBGZPJMESA-N 349.430 5.036 0 50 EKAA CC[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 227154749 LTFRSZNVHNEGSK-LLVKDONJSA-N 340.225 5.056 0 50 EKAA C[C@H]1[C@H]2C[C@@H](c3ccc(OC(=O)Nc4ccccc4)cc3)[C@@H](C2)C1(C)C 229865993 COBDRXXOEJTYQG-STRKUORWSA-N 349.474 6.083 0 50 EKAA C[C@@H]1C[C@H]2CCc3ccc4ccccc4c3[C@H]2c2c1ccc1ccccc21 253590141 QGYAOHODJSDTPT-GZAUMTHMSA-N 348.489 7.195 0 50 EKAA C[C@@H](N[C@H]1CCC(C)(C)c2ccccc21)c1ccc2cccnc2c1 2325827931 URAXVMRQBNRTQS-IERDGZPVSA-N 330.475 5.698 0 50 EKAA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 38753 HCNMTWBSNDOXEM-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Cc1ccc2oc(-c3cccc(NC(=O)c4cccs4)c3C)nc2c1 174590 XSUMLUBHGBCIAT-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 462205 XLTRDKLOEPLDFH-UHFFFAOYSA-N 346.426 5.177 0 50 EKAA Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2ccccc2c1 528909 UKCORKPNKRAXHH-UHFFFAOYSA-N 339.460 5.072 0 50 EKAA COc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 1119780 ZIVRRGRWYHAILT-UHFFFAOYSA-N 334.375 5.132 0 50 EKAA COc1ccc(CNc2ccc3c(c2)oc2ccccc23)c(OC)c1 4622019 HWQWBUJIZLGPQG-UHFFFAOYSA-N 333.387 5.215 0 50 EKAA C[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)s1 13744545 MKSZIGCULMHXTJ-SSDOTTSWSA-N 349.670 5.591 0 50 EKAA CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 170607453 OCHHDHMZRXYIHK-WOJBJXKFSA-N 339.454 5.644 0 50 EKAA CC(C)CCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 1772491142 DWZOTQMCNPFGMX-UHFFFAOYSA-N 342.870 5.705 0 50 EKAA CCC[C@H](NCC[C@@H](O)CC)c1ccc(Oc2ccccc2)cc1 2325822461 YQOLQDDCYVLWOP-RXVVDRJESA-N 327.468 5.071 0 50 EKAA Clc1ccccc1-c1noc(C2CCC(c3ccccc3)CC2)n1 196335 YHZNQLKLMVPUNE-UHFFFAOYSA-N 338.838 5.831 0 50 EKAA Cc1ccc(Cc2cnc(NC(=O)/C=C/c3cccc(C)c3)s2)cc1 444823 GAIUFBCFZBBKOG-ZHACJKMWSA-N 348.471 5.003 0 50 EKAA COc1ccc(CCCC(=O)Nc2ccccc2C(C)C)c(C)c1 2891852 VWCQFABXCDVFCO-UHFFFAOYSA-N 325.452 5.088 0 50 EKAA O=C(C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCC1=O)c1ccccc1 4957829 FNNLCCWPLUPOJS-ROUUACIJSA-N 326.823 5.066 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc1Cl 36620512 WFYLJSGAUJXYSQ-GOSISDBHSA-N 328.843 5.326 0 50 EKAA C[C@@H]1[C@H]2C[C@@H](c3ccc(OC(=O)Nc4ccccc4)cc3)[C@@H](C2)C1(C)C 229865986 COBDRXXOEJTYQG-YDPGBSGYSA-N 349.474 6.083 0 50 EKAA COc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OC)cc2)cc1 1568 SRETXDDCKMOQNE-UHFFFAOYSA-N 329.399 5.519 0 50 EKAA in-man Clc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 210193 AWVBWSWHJBTFNM-UHFFFAOYSA-N 332.834 5.329 0 50 EKAA in-vitro COc1ccc(C=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1201996 DMGVRXGFVGFXGC-UHFFFAOYSA-N 346.426 5.301 0 50 EKAA CC(C)=CCCCCCCN1CCN(c2cccc(Cl)c2)CC1 2494813 XDJRUQIBYMTLLT-UHFFFAOYSA-N 334.935 5.379 0 50 EKAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCC[C@H](C)C1 5031987 KRKMMZSRMPAPEH-INIZCTEOSA-N 349.474 5.649 0 50 EKAA Cc1cccc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 5068345 MXRCXKIARGSVBD-UHFFFAOYSA-N 325.795 5.469 0 50 EKAA S=c1nc(-c2ccccc2)[nH]c2c1C1(CCCC1)Cc1ccccc1-2 6139786 LCKIOEHUBDISCZ-UHFFFAOYSA-N 344.483 5.841 0 50 EKAA CC1=CC2(CCN(Cc3sc4ccccc4c3Cl)CC2)OCC1 1704299397 JYVWUUYXZZREQD-UHFFFAOYSA-N 347.911 5.256 0 50 EKAA Clc1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 443636 PIJHRRFBGLTVED-UHFFFAOYSA-N 347.849 5.350 0 50 EKAA Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Cl)cc1 450511 JWXXRTUOMTWHSS-FQEVSTJZSA-N 348.833 5.420 0 50 EKAA CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1(C)C 4686576 JWFQFWIVNAVQED-YLJYHZDGSA-N 333.431 5.763 0 50 EKAA O=C1C[C@H](c2cccs2)Cc2nc(-c3ccc(Cl)cc3)ccc21 12374976 HZUZPFPTGIDOLF-CYBMUJFWSA-N 339.847 5.376 0 50 EKAA C[C@@]12CC3CC(C(=O)Nc4nc5ccccc5s4)(C1)C[C@](C)(C3)C2 16347102 AWXOMXZGBCOYRJ-GOSFSIBNSA-N 340.492 5.231 0 50 EKAA Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1c1ccccc1F 36621178 ZNPAXTQAJATLIH-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA O=C(CSc1nc2ccccc2o1)c1ccc(Cl)c(Cl)c1 281326 IKALSWOFAKYEON-UHFFFAOYSA-N 338.215 5.110 0 50 EKAA Brc1ccc(-c2ccc(-c3cccs3)s2)s1 395993 HNMURGGRBMOMLO-UHFFFAOYSA-N 327.293 5.968 0 50 EKAA CN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 401711 ISIVKNHOEHSAIX-UHFFFAOYSA-N 343.641 5.311 0 50 EKAA Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 457583 BKFNBVYZWZNDMX-UHFFFAOYSA-N 339.394 5.429 0 50 EKAA O=C1C[C@H](c2c(Cl)cccc2Cl)c2c(ccc3ccccc23)N1 1058735 KHPOXAZLBACGGW-ZDUSSCGKSA-N 342.225 5.621 0 50 EKAA Cc1ccc(Sc2c(-c3ccccc3)n[nH]c2-c2ccccc2)cc1 2918688 IVMIWDUDLRHJGO-UHFFFAOYSA-N 342.467 6.203 0 50 EKAA Cc1ccc(NC(=O)NC23CC4(C)CC(C)(CC(C)(C4)C2)C3)cc1 4184624 YNXUDDYWZAERBV-UHFFFAOYSA-N 326.484 5.256 0 50 EKAA Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1C1(CCCC1)O2 5235426 AVEINBRSSSIIRE-GOSISDBHSA-N 338.838 5.154 0 50 EKAA CCC(=O)Nc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325720354 YDXMHTBHGLRAOF-UHFFFAOYSA-N 341.411 5.041 0 50 EKAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccs1 103194 COSZGRSDPBELFM-UHFFFAOYSA-N 336.441 5.277 0 50 EKAA Cc1ccc2c(c1)sc1nc(-c3ccccc3Br)cn12 433078 OPZWNNYBJPNNOY-UHFFFAOYSA-N 343.249 5.287 0 50 EKAA Cc1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 441522 ABARKDQWFLYYPX-FQEVSTJZSA-N 333.456 5.467 0 50 EKAA CCOc1cc(CNCC(C)C)cc(Cl)c1OCc1ccccc1 2863693 VCFMSCYCPPBCCW-UHFFFAOYSA-N 347.886 5.063 0 50 EKAA CCc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(C)s1 15867068 MYULVQKQWHIXCD-SFHVURJKSA-N 342.508 5.768 0 50 EKAA CC/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)O 38224019 DCFKVKFLEPMEGT-IJVXPCIKSA-N 344.495 5.760 0 50 EKAA in-vitro COC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 216853539 XMESSHBEQXVDDS-UHFFFAOYSA-N 345.609 5.012 0 50 EKAA Cc1ccc2n1CCN(c1nc(-c3ccc(Cl)cc3)cs1)[C@@H]2C 116901 RTSKQHNWNMMEED-CYBMUJFWSA-N 343.883 5.155 0 50 EKAA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2C(=O)c1ccco1 201471 JLROJHWRDIXFRX-SJLPKXTDSA-N 331.415 5.159 0 50 EKAA CC1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1 558403 BGOXZFHZHIOHKK-UHFFFAOYSA-N 344.458 5.328 0 50 EKAA Cc1ccc(-c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)s1 999978 HCLDHRFSSBVCEP-UHFFFAOYSA-N 349.868 5.477 0 50 EKAA CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 13616344 ZVJDYYWBDOZILP-MJGOQNOKSA-N 326.827 5.010 0 50 EKAA c1ccc(-c2[nH]c(-c3ccco3)nc2-c2cccc3ccccc23)cc1 16671171 IMYNKGMWQLHDJP-UHFFFAOYSA-N 336.394 6.157 0 50 EKAA COc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1 17111388 HCHPSLAKVJZIDG-UHFFFAOYSA-N 342.402 5.126 0 50 EKAA Cc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)cnn23)cc1 23114996 DFQMTJIPQOZTSL-UHFFFAOYSA-N 328.419 5.065 0 50 EKAA Cc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1C 45068315 GPRQSSOFJQNFAI-HSZRJFAPSA-N 343.495 6.661 0 50 EKAA CCCC(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C 55093 XJKMDJFRGAWPAD-UHFFFAOYSA-N 349.546 5.896 0 50 EKAA COc1ccccc1NC(=O)N(C1CCCCC1)C1CCCCC1 396188 FESVGCJUJQQUIW-UHFFFAOYSA-N 330.472 5.195 0 50 EKAA Cc1c(Br)ccc(NC(=O)CCC2CCCCC2)c1C 564293 DVLWGYYZPMZUJJ-UHFFFAOYSA-N 338.289 5.365 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCN([C@H](C)c2ccccc2)[C@@H]3CCC1 977889 GNVBGFAKJVJGJT-VGOFRKELSA-N 330.475 5.404 0 50 EKAA biogenic CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2)cc1 4543207 YHYQAKRWXUATCG-UHFFFAOYSA-N 339.479 5.418 0 50 EKAA O=C(Nc1ccc(F)cc1F)N1CCCCC[C@H]1c1cccs1 15867134 YPNKUSBQEMOWNO-HNNXBMFYSA-N 336.407 5.176 0 50 EKAA CC[C@H](C)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859517 VPSRJWNBSBKXAR-KRWDZBQOSA-N 341.454 6.072 0 50 EKAA in-vitro COc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1Cl 2325720341 PSFRAHSJHMFVJA-UHFFFAOYSA-N 334.803 5.355 0 50 EKAA Clc1ccc2nc(NCc3ccccc3)nc(-c3ccccc3)c2c1 275014 JAJQZEJUVVSQHK-UHFFFAOYSA-N 345.833 5.562 0 50 EKAA Cc1ccccc1CSCC(=O)Nc1cc(Cl)cc(Cl)c1 443555 WWLUVBMYRSCAOS-UHFFFAOYSA-N 340.275 5.174 0 50 EKAA Cc1ccc(Cn2c(NCc3cccs3)nc3ccccc32)cc1 444080 OAJSBRWBGPHQQU-UHFFFAOYSA-N 333.460 5.067 0 50 EKAA Cc1ccc(-c2nnc(SC3CCCCC3)c3ccccc23)cc1 2395641 SPUGWMRTOCZMHD-UHFFFAOYSA-N 334.488 6.030 0 50 EKAA FC1(F)[C@H]2CC(CNc3ccc(Oc4ccc(Cl)cc4)cc3)C[C@@H]21 2325863738 VHTQJCQNRRCJID-ROUUACIJSA-N 349.808 5.836 0 50 EKAA c1ccc(CC[n+]2ccc(-c3ccccc3)cc2-c2ccccc2)cc1 15769790 NHWFFMAWRCCOLV-UHFFFAOYSA-N 336.458 5.551 0 50 EKAA Cc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1F 15867104 FUVJVSZBXGMINQ-INIZCTEOSA-N 332.444 5.345 0 50 EKAA O=C(Nc1ccc2c(c1)CCC2)NC(c1ccccc1)c1ccccc1 20509605 JJDXFKGBRDTPSU-UHFFFAOYSA-N 342.442 5.086 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC 27646470 LKBDTOYINRNCSY-AFSLFLIVSA-N 332.528 6.695 0 50 EKAA in-vitro CCCCCc1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1 498053983 HGDHFJPMYJWOQE-UHFFFAOYSA-N 336.357 5.085 0 50 EKAA CC(C)c1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1 584904365 JBQUZOGCDRDURA-XZOQPEGZSA-N 340.555 5.039 0 50 EKAA O=C(CSCc1c(Cl)cccc1Cl)NC1CCCCCC1 555150 RLPVNYKYEDSAFQ-UHFFFAOYSA-N 346.323 5.066 0 50 EKAA O=C(c1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 2998170 UDBFPRUBDWDITB-UHFFFAOYSA-N 344.439 5.086 0 50 EKAA Cc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)c1 5093973 BQMXEHTXOZXUGX-UHFFFAOYSA-N 345.398 5.220 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccsc2)[C@H]3CCC1 22078053 HUOOUQUUWARQOO-FQEVSTJZSA-N 336.504 5.295 0 50 EKAA COc1ccccc1Nc1nc(-c2ccc(C)cc2)nc2ccccc12 215588 GXMQKVUWKGKGAU-UHFFFAOYSA-N 341.414 5.357 0 50 EKAA Oc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1 446524 KPCBAICAWILTJY-UHFFFAOYSA-N 347.237 5.022 0 50 EKAA COc1ccc2cc([C@H](C)c3nc4ccccc4n3C(C)C)ccc2c1 561758 DGTZMHNHMVULPH-INIZCTEOSA-N 344.458 5.931 0 50 EKAA C[C@@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)C(C)(C)C 1074036 FFHFSVGARUCBTM-CYBMUJFWSA-N 338.476 5.128 0 50 EKAA CCCOc1cc2oc(C)c(Oc3ccccc3)c(=O)c2cc1CC 2476067 ZYNRPYYGBFGHHU-UHFFFAOYSA-N 338.403 5.245 0 50 EKAA biogenic CCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 2988794 AKZOQSVWRHIIRZ-UHFFFAOYSA-N 338.234 5.425 0 50 EKAA CCc1ccc(-c2cc(NCCN(CC)CC)c3ccccc3n2)cc1 4542545 OYDTWPQFNONSTK-UHFFFAOYSA-N 347.506 5.218 0 50 EKAA CC1CCC(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1 17068698 IAUJZVNUESZESW-SIWZUTFBSA-N 333.541 5.208 0 50 EKAA CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 38928174 VCHHHSMPMLNVGS-UHFFFAOYSA-N 327.427 5.826 0 50 EKAA biogenic,in-vitro CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1 55168501 QMKGWSJTHAJNHZ-UHFFFAOYSA-N 346.489 7.455 0 50 EKAA O=C(Nc1ccc2ccccc2c1)c1ccc(-c2cccc(Cl)c2)o1 447728 CPJAJMIFAUKXSG-UHFFFAOYSA-N 347.801 6.006 0 50 EKAA C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 610062 NYXKNLXCZHRSLZ-SNVBAGLBSA-N 326.248 5.113 0 50 EKAA CC[C@@H](C)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 2950932 NCBVMMJRTYRDGR-MRXNPFEDSA-N 333.431 5.371 0 50 EKAA Clc1ccc(N2C[C@@H](c3ccccc3)C(c3cccs3)=N2)cc1 4020953 VHFRRGFLULMGBA-KRWDZBQOSA-N 338.863 5.410 0 50 EKAA Fc1ccc(N2N=C(c3cccs3)C[C@H]2c2cccs2)c(F)c1 4021516 JBBDMOTZSWYDSM-HNNXBMFYSA-N 346.427 5.444 0 50 EKAA CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(F)(F)F 12860276 QUXSTJISHYLTHK-UHFFFAOYSA-N 339.382 5.458 0 50 EKAA C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)s1 13745097 DYFVQJPYGUOWHV-QMMMGPOBSA-N 348.777 5.303 0 50 EKAA Fc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 35654126 MYQQZCVIAQFISL-UHFFFAOYSA-N 327.362 5.012 0 50 EKAA C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CC1=CCCCC1 2325817673 KQLCCHWMFDJQRL-SFHVURJKSA-N 333.475 5.291 0 50 EKAA CCCc1cc(=O)oc2c(C)c3occ(-c4ccc(OC)cc4)c3cc12 95343 FOJABJKRONKDRY-UHFFFAOYSA-N 348.398 5.476 0 50 EKAA biogenic FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 202351 OSNKYFVXJROEFW-UHFFFAOYSA-N 339.320 5.082 0 50 EKAA C[C@H]1CCc2cc(F)ccc2N1C(=O)c1csc2ccccc12 371926 LQAPDEWEHGIOSJ-LBPRGKRZSA-N 325.408 5.022 0 50 EKAA CCc1cccc(CC)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 392857 WBCVDTCSAHJLSJ-UHFFFAOYSA-N 337.250 5.762 0 50 EKAA CCOC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1668313 NYYTYLFIZXIQLH-UHFFFAOYSA-N 338.401 5.489 0 50 EKAA c1ccc(-c2ccccc2OCCCN2CCc3ccccc3C2)cc1 2845178 JGKQUJXIZOZFKV-UHFFFAOYSA-N 343.470 5.181 0 50 EKAA CN(c1ccccc1)c1ccc([C@H]2NN=C(c3ccccc3)S2)cc1 2914894 KOCNKHKWWWBFQD-NRFANRHFSA-N 345.471 5.151 0 50 EKAA CCCC(=O)N1c2c(C)cccc2[C@H](Nc2ccccc2C)C[C@H]1C 75520 LAZKXQSSMQCQPU-YLJYHZDGSA-N 336.479 5.382 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)Oc1ccc(Cl)c(Cl)c1 397709 XXVSZTHSLYTBPZ-UHFFFAOYSA-N 330.598 5.566 0 50 EKAA CCCCOc1ccccc1NC(=O)/C=C/c1ccccc1Cl 1777446 IYCNBPPYNFGETO-OUKQBFOZSA-N 329.827 5.171 0 50 EKAA C[C@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CCCCC1 2814094 PAEMYHNFILOKDL-LJQANCHMSA-N 335.491 5.026 0 50 EKAA CCCCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 4803843 WXKCREHJKJKZSN-UHFFFAOYSA-N 336.435 5.747 0 50 EKAA CC(C)(C)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 4809646 GEVPPDGOJNIKOH-UHFFFAOYSA-N 327.268 5.099 0 50 EKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 174878 FAMUHPSQZLVDQL-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 258980 YXSVPSCJDURBKN-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA O=C(Oc1ccc2c(c1)CCC2)N(c1ccccc1)c1ccccc1 609857 AVXLVOOXRVLSQC-UHFFFAOYSA-N 329.399 5.512 0 50 EKAA O=C(OCc1cc(-c2ccccc2Cl)on1)c1cccc(Cl)c1 1394134 JRSALNIFWGCFEI-UHFFFAOYSA-N 348.185 5.005 0 50 EKAA Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1C 2549311 LFRFHIIOBORXGD-RVDMUPIBSA-N 327.427 5.622 0 50 EKAA Clc1cccc(OCCCCCCOc2cccc(Cl)c2)c1 2885543 OGYWOLKJSNLCMO-UHFFFAOYSA-N 339.262 6.012 0 50 EKAA CCCCCCOP(OCCCCCC)OCCCCCC 4409246 DSKYTPNZLCVELA-UHFFFAOYSA-N 334.481 7.004 0 50 EKAA C[C@@H]1CCCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl 17067180 OWXICJFKLWKQCY-SECBINFHSA-N 328.264 5.223 0 50 EKAA FC1(F)[C@@H]2CC(CNc3ccc(Oc4ccc(Cl)cc4)cc3)C[C@H]21 2325863737 VHTQJCQNRRCJID-QZTJIDSGSA-N 349.808 5.836 0 50 EKAA O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2ccc3ccccc3c2N1 195051 WMLSPXIMMJVOJB-INIZCTEOSA-N 342.225 5.621 0 50 EKAA CCc1cc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2cc1OC 308049 AXBMNADFAUXDIJ-UHFFFAOYSA-N 346.785 5.132 0 50 EKAA C[C@H]1CCc2cc(F)ccc2N1C(=O)C1CCC(C(C)(C)C)CC1 1002680 HFIHOONCWGTSFQ-UQPPLGOBSA-N 331.475 5.346 0 50 EKAA Cc1ccc2c(-c3ccccc3C(=O)N(C(C)C)C(C)C)cccc2n1 2100545281 MQDKCNPLYNCLMT-UHFFFAOYSA-N 346.474 5.469 0 50 EKAA COc1ccc(-c2csc(Nc3cc(Cl)ccc3OC)n2)cc1 73628 RVYDGWYSMHQYGO-UHFFFAOYSA-N 346.839 5.224 0 50 EKAA Cc1ccn2c(Nc3ccc(C(C)C)cc3)c(-c3cccs3)nc2c1 427500 ZQIGPHJCLUTRFS-UHFFFAOYSA-N 347.487 6.238 0 50 EKAA CCn1c2ccccc2c2cc(CN3CCc4ccccc4C3)ccc21 1227038 UUJXIXVNIPPGGI-UHFFFAOYSA-N 340.470 5.373 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)c3cccc(F)c3)ccc21 2051793 YOXUMPKILKIQFR-UHFFFAOYSA-N 332.378 5.206 0 50 EKAA Cc1ccc(-c2csc(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1 2082732 NMOVEGVAYHURED-UHFFFAOYSA-N 348.496 6.217 0 50 EKAA CSc1ccc(OC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 2172709 XEJZGMSARZELKU-UHFFFAOYSA-N 341.354 5.347 0 50 EKAA COc1ccc(-c2c(-c3ccccc3)c(Cl)nc3ccccc23)cc1 2172905 DLDDDHXUSQFBFR-UHFFFAOYSA-N 345.829 6.231 0 50 EKAA CCOc1ccccc1OCCCOc1ccc([C@@H](C)CC)cc1 2983666 OUGYRJCOUODEGS-KRWDZBQOSA-N 328.452 5.447 0 50 EKAA CC(C)(C)Sc1cc(Br)cc(SC(C)(C)C)c1 36377556 VLQVYTYMAXNJGM-UHFFFAOYSA-N 333.360 6.230 0 50 EKAA C1=C[C@H]([C@@H]2C=CCCCCCCCCC2)CCCCCCCCC1 257345519 ZVQLJQKZIPBSRE-PSWAGMNNSA-N 330.600 8.380 0 50 EKAA Cc1ccc(Oc2ccccc2)c(NC[C@@H]2C[C@H](C)O[C@H](C)C2)c1 1776004607 MLXBTCJOYVYJKF-PIIMJCKOSA-N 325.452 5.403 0 50 EKAA Cc1cc2nc(SCc3ccc(Cl)cc3)nc(C)c2cc1C 102396 SELUOVBXRXFYHZ-UHFFFAOYSA-N 328.868 5.501 0 50 EKAA O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1 119109 PEXQIAHZLFTVJU-UHFFFAOYSA-N 348.246 5.368 0 50 EKAA CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1ccc(C)cc1 555055 SGCINRPHEUMEJS-OAHLLOKOSA-N 327.493 5.239 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1Cl 858869 DUFFVZBQYBKVJA-UHFFFAOYSA-N 336.822 5.644 0 50 EKAA Cc1cc(NC2CCCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 2212760 HGOVCGUOUCGYFP-UHFFFAOYSA-N 340.858 5.103 0 50 EKAA CN(CCCOc1ccccc1-c1ccccc1)Cc1ccccc1 2823126 SKQCYXHKKAHDSV-UHFFFAOYSA-N 331.459 5.255 0 50 EKAA CCOc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1 15866970 NYOGIJHWFWLAKC-KRWDZBQOSA-N 344.480 5.296 0 50 EKAA COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)c(C)c1 17066807 IQSHFUDJBPZMEU-UHFFFAOYSA-N 326.440 5.254 0 50 EKAA CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc(C=O)ccc21 43681903 JWQOZEXSBKOAAL-MRXNPFEDSA-N 335.447 5.636 0 50 EKAA CCOP(=O)(Cc1nc(C)c(-c2ccc(Cl)cc2)o1)OCC 1776003941 GAEJOMUNLPJVME-UHFFFAOYSA-N 343.747 5.070 0 50 EKAA Cc1cc(CSCc2ccc(C(F)(F)F)cc2)c2ccccc2n1 1875305109 HFHOTZHTVXUJTH-UHFFFAOYSA-N 347.405 5.995 0 50 EKAA CC[C@H](C)[Sn]([C@@H](C)CC)([C@@H](C)CC)[C@H](C)CC 169817535 LEOARMIFBDRUPR-UHFFFAOYSA-N 347.175 6.636 0 50 EKAA Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1Br 65688 QHNDTMKRYCYCRB-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA COc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1 91686 IYPYWVXJTGPEHH-UHFFFAOYSA-N 333.416 5.111 0 50 EKAA Cc1ccc(-n2cnc3scc(-c4ccc(C)cc4C)c3c2=O)cc1 227554 ALPMMDMTEBAASI-UHFFFAOYSA-N 346.455 5.039 0 50 EKAA CC(C)C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 380501 HSWPDGUNPNHVLW-UHFFFAOYSA-N 330.840 5.211 0 50 EKAA Cc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2903007 HXXKWPVVYZIFIG-UHFFFAOYSA-N 335.259 6.169 0 50 EKAA CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1 12404515 LFWHFZJPXXOYNR-MFOYZWKCSA-N 340.419 5.350 0 50 EKAA world COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCCC[C@H]1C 22077736 DJWXEXLOUZGHIB-MRXNPFEDSA-N 349.474 5.791 0 50 EKAA CCCCc1ccc(-c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 245189349 ZLVZCFBYGPRQQQ-HCGLCNNCSA-N 348.574 8.160 0 50 EKAA O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)C1CC1 266976 QOMJYNMOZDCCPS-UHFFFAOYSA-N 335.428 5.080 0 50 EKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 444093 AASAHXJYCWBAIV-CYBMUJFWSA-N 341.863 5.613 0 50 EKAA Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)c1 2838206 KCXVFHWKFYWYQR-CQSZACIVSA-N 333.884 5.385 0 50 EKAA CCN(CC)CCCCCCOc1c(C(C)C)cccc1C(C)C 2902532 NLVZFDDXEMUHAP-UHFFFAOYSA-N 333.560 6.214 0 50 EKAA CCCCOc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 2970356 YWICGZXOMBLJNM-UHFFFAOYSA-N 337.341 5.137 0 50 EKAA Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(Cl)cc1 4719187 RYCXKRAHGBPZQI-UHFFFAOYSA-N 338.234 5.100 0 50 EKAA C(=C/c1ccc2ccccc2n1)\c1ccc(CN2CCCCC2)cc1 5047023 RVHPZGYPKSZHCM-WYMLVPIESA-N 328.459 5.391 0 50 EKAA Cc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1Cl 13736904 JTQKOPXSYCYUCO-UHFFFAOYSA-N 345.682 5.764 0 50 EKAA Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1C 35476475 NGGJLSLTVZYXKY-GOSISDBHSA-N 328.843 5.326 0 50 EKAA Cc1cc(NCCCn2ccnc2C(C)C)nc2ccc(Cl)cc12 1506421008 SJJDNRRLAUZKBL-UHFFFAOYSA-N 342.874 5.019 0 50 EKAA O=C(C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCC1=O)c1ccccc1 237871 GUEDHQCUZRWRLD-OALUTQOASA-N 340.850 5.456 0 50 EKAA CCN(C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1 456405 PTCSFJWTRUMHCU-NRFANRHFSA-N 347.483 5.573 0 50 EKAA COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 611088 CQBNEXLJYXKUJT-UHFFFAOYSA-N 335.428 5.099 0 50 EKAA CCC(CC)C(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 2880024 ZPLPZJDWGRAHJG-UHFFFAOYSA-N 349.434 5.087 0 50 EKAA O=C(CCC1CCCCC1)Nc1ccc(-c2cn3ccccc3n2)cc1 4809588 NLKMIBYSGZXMQX-UHFFFAOYSA-N 347.462 5.300 0 50 EKAA O=C(c1ccc(-c2ccccc2)cc1)c1cnc(-c2ccccc2)s1 1395939 DYISHZLWMPYJAX-UHFFFAOYSA-N 341.435 5.708 0 50 EKAA CCCCc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 2530997 ZZGAXYWBHVBCMZ-UHFFFAOYSA-N 333.884 5.413 0 50 EKAA O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc(Cl)c1 2816148 GDCUJGFDBJYNOK-UHFFFAOYSA-N 337.806 5.025 0 50 EKAA CC(C)(c1ccccc1)c1ccc(OCCNCc2ccccc2)cc1 2823341 ILQPBTUSHBOIBZ-UHFFFAOYSA-N 345.486 5.181 0 50 EKAA Clc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1 3106618 VNJGHLSQJTVFPH-UHFFFAOYSA-N 343.817 5.526 0 50 EKAA Cc1ccc(C)c(NC(=O)/C=C/c2cc(-c3ccccc3)cs2)c1 4542082 UDYUUPUOCJHXMO-ZHACJKMWSA-N 333.456 5.684 0 50 EKAA Cc1ccc(NC(=O)N[C@H](CCc2ccccc2)c2ccccc2)cc1 1875317672 HLMDJDSSOIHKTH-JOCHJYFZSA-N 344.458 5.491 0 50 EKAA Fc1ccc(COc2ccc(CNc3ccccc3)cc2Cl)cc1 616922 LTTKFTZENUKOMM-UHFFFAOYSA-N 341.813 5.670 0 50 EKAA Cc1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1 1807512 UWDUPLWUYFZOPS-UHFFFAOYSA-N 345.833 6.002 0 50 EKAA CCCCOc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2C)cc1 2785455 OJSWEXPPDFXNCN-UHFFFAOYSA-N 349.430 5.396 0 50 EKAA O=C(Nc1cccc(Cl)c1Cl)c1cc(F)c(F)cc1Cl 2838921 WEOMAJXASWQAIU-UHFFFAOYSA-N 336.552 5.177 0 50 EKAA CCN(CC)CCCCN1c2ccccc2Sc2ccccc21 3683917 FQAMOSMBTRUACZ-UHFFFAOYSA-N 326.509 5.411 0 50 EKAA COC(=O)C[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 5273586 LAWJUFPULQZGLF-HSALFYBXSA-N 326.565 6.625 0 50 EKAA biogenic c1ccc2c(OCCCOc3cccc4cccnc34)cccc2c1 5876459 AKTLVENHSJTRQW-UHFFFAOYSA-N 329.399 5.236 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 64984702 NIACHBWONKMCMZ-MRXNPFEDSA-N 347.846 5.129 0 50 EKAA CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1C(C)(C)C 261506816 BFSTYFYIECDFCT-UHFFFAOYSA-N 325.334 6.342 0 50 EKAA CCC[C@H](N[C@H]1CSC[C@H]1C)c1ccc(Oc2ccccc2)cc1 2325822100 DAPKYTZETSLJCQ-CZAAIQMYSA-N 341.520 5.661 0 50 EKAA Cc1cccc(CCNc2ncnc3sc(-c4ccccc4)cc23)c1 2325853869 FISWBOSKNATSJH-UHFFFAOYSA-N 345.471 5.321 0 50 EKAA COc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 441633 JWXUREARNCTUMO-FQEVSTJZSA-N 349.455 5.167 0 50 EKAA Cc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1C 1276019 PZOCWCPLCXRIHB-CJLVFECKSA-N 327.427 5.483 0 50 EKAA Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 77523628 LCPRQCOXTWBXHO-MRXNPFEDSA-N 346.471 5.081 0 50 EKAA CCN1[C@H](C(Cl)(Cl)Cl)c2ccccc2[C@H]2C=CC=C[C@H]21 252427905 JVBJKGXRMGJROW-YUELXQCFSA-N 328.670 5.012 0 50 EKAA Cc1oc2ccccc2c1CCN[C@@H](C)c1cccc2ccsc12 2325870230 NYKJFCZRSXRSAH-AWEZNQCLSA-N 335.472 5.849 0 50 EKAA CC(=O)c1cc2ccc1CCCCc1ccc(cc1C(C)=O)CCCC2 4787913 CJRRPSHBGTYBPK-UHFFFAOYSA-N 348.486 5.536 0 50 EKAA S=c1oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3 9304330 SRCZDDLLKBJZNP-UHFFFAOYSA-N 340.488 6.069 0 50 EKAA CCOc1cc2occ(-c3ccccc3Cl)c(=O)c2cc1CC 311752 RQPNMJCJNATKLS-UHFFFAOYSA-N 328.795 5.075 0 50 EKAA biogenic CC(C)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 472505 NRBBYSCNBGFDDU-UHFFFAOYSA-N 339.822 5.976 0 50 EKAA Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 2842885 GPPXLMFXTPOOLR-QGZVFWFLSA-N 347.483 5.781 0 50 EKAA CC(C)n1c(CSCc2ccc(Cl)cc2Cl)n[nH]c1=S 15924008 HOVAMNOLUNEIKI-UHFFFAOYSA-N 348.324 5.262 0 50 EKAA Clc1ccccc1[C@@H]1N=C(c2ccccc2)[C@H]2[C@H](c3ccccc3)N12 34895835 RZMSEVAAEBXXHE-SVKILVKPSA-N 344.845 5.267 0 50 EKAA O=C(NC1CCCC1)C1c2ccc(Cl)cc2-c2cc(Cl)ccc21 2325823851 GHTVNNPLYUWJIV-UHFFFAOYSA-N 346.257 5.165 0 50 EKAA Clc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 115202 JIDAULCLCVQJAZ-UHFFFAOYSA-N 345.627 5.227 0 50 EKAA Cc1cccc(NC(=O)Oc2ccc(C(C)(C)CC(C)(C)C)cc2)c1 2854395 JTYGJXWPQDLMJB-UHFFFAOYSA-N 339.479 6.320 0 50 EKAA CC[C@@H](C)c1ccc(-c2c(C)sc(N)c2C(=O)OC(C)C)cc1 5909442 VDLBELHYTBBCCX-GFCCVEGCSA-N 331.481 5.384 0 50 EKAA Oc1cc(OCc2ccccc2)ccc1-c1n[nH]cc1-c1ccccc1 13126834 KICYLOMHIDJZFF-UHFFFAOYSA-N 342.398 5.028 0 50 EKAA Clc1nc2ccc(Br)cc2cc1Cc1ccccc1 82048631 UGXUDVNBDYIJHJ-UHFFFAOYSA-N 332.628 5.242 0 50 EKAA O=C(Nc1ccccc1Cl)c1cccc(OCc2ccccc2)c1 317710 KAJHZLJTHIKGND-UHFFFAOYSA-N 337.806 5.171 0 50 EKAA CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 9259475 JFFULAOZEVYPMM-UHFFFAOYSA-N 338.451 5.047 0 50 EKAA O=C(COc1ccc(Cl)cc1)N(c1ccccc1)c1ccccc1 251755 XLLVWRMFBGKVRM-UHFFFAOYSA-N 337.806 5.084 0 50 EKAA Cc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 469949 FHAMOJQUDZTUMN-LLVKDONJSA-N 340.275 5.421 0 50 EKAA c1ccc(-c2noc(COc3ccc(C4CCCCC4)cc3)n2)cc1 614793 KKMOKZBTWXFKCD-UHFFFAOYSA-N 334.419 5.363 0 50 EKAA Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 2733910 AVQMAJVGWVMHGE-UHFFFAOYSA-N 343.308 5.008 0 50 EKAA FC(F)(F)c1cc(Br)cc(OCc2ccccc2)c1 21981713 UYBXRJFRUVREDM-UHFFFAOYSA-N 331.131 5.047 0 50 EKAA CCCCCn1cc(C(=O)NCC[C@H]2CC[C@H](C)C2)c2ccccc21 1875357440 HOCUGKPOZAEAEG-ZWKOTPCHSA-N 340.511 5.388 0 50 EKAA CCC(=O)Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 360426 DQVCCVRCBNWBMH-UHFFFAOYSA-N 330.431 5.314 0 50 EKAA O=C(CCNc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 409550 OMCMRHUZOZTZPJ-UHFFFAOYSA-N 335.378 5.303 0 50 EKAA O=C(Nc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21 527231 LCASKNUWDVGTGQ-UHFFFAOYSA-N 336.391 5.661 0 50 EKAA Cc1sc(-n2c(C)c3c(C)nnc(C)c3c2C)nc1-c1ccccc1 543489 ZBXVJMUGZKJRSB-UHFFFAOYSA-N 348.475 5.086 0 50 EKAA O=C1C[C@H](c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2N1 1082064 VGNGRYYHNUHGSB-HSZRJFAPSA-N 349.433 5.981 0 50 EKAA Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl 2521622 ARXHIJMGSIYYRZ-UHFFFAOYSA-N 326.437 6.621 0 50 EKAA biogenic,in-vitro Cc1ccc(Cl)c(OCCCOc2cccc3cccnc23)c1 2984061 ZRIFHANYDOTMMZ-UHFFFAOYSA-N 327.811 5.045 0 50 EKAA Cc1ccc(NC(=O)N(Cc2ccccc2)C(C)(C)C)cc1Cl 4542365 GVYLJPRNTJZWCZ-UHFFFAOYSA-N 330.859 5.481 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 5883156 UZLFOMQKUMWKFO-UHFFFAOYSA-N 325.496 5.663 0 50 EKAA COc1ccc(Cl)cc1NC(=S)N[C@H](C)c1ccc(C)c(C)c1 17072487 NMVCXDCYQZNKKT-CYBMUJFWSA-N 348.899 5.013 0 50 EKAA CCCC[C@H](CC)COC(=O)/C=C\C(=O)OC[C@@H](CC)CCCC 31357023 ROPXFXOUUANXRR-QUQQQVAWSA-N 340.504 5.062 0 50 EKAA in-vitro CC(C)c1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1 2325824220 UZBNNOUJIKJJNA-UHFFFAOYSA-N 329.856 5.147 0 50 EKAA Brc1ccc2c(c1)sc1cc(Br)ccc12 312066 KMNBVODPWIFUSS-UHFFFAOYSA-N 342.055 5.580 0 50 EKAA in-vitro COc1cccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1 438582 YGIKVPGMKORAQP-UHFFFAOYSA-N 332.428 5.716 0 50 EKAA CSc1ccccc1NC(=O)Nc1ccccc1C(F)(F)F 610082 FBKSTQVELZLEKK-UHFFFAOYSA-N 326.343 5.071 0 50 EKAA Cc1ccc(Oc2nc(-c3ccccc3F)nc3ccccc23)cc1C 2197759 SOLIWRFMEPVQFJ-UHFFFAOYSA-N 344.389 5.845 0 50 EKAA Cc1ccc(-c2c(C)cc(OCc3ccc(C(=O)O)cc3)cc2C)cc1 1875389454 PAMKIUSKLDJIOP-UHFFFAOYSA-N 346.426 5.556 0 50 EKAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 259001 WAPYRXDWWIBUOD-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA c1ccc2c(OCCCCOc3cccc4ccccc34)cccc2c1 2885564 TVOMYSDAGOEKAP-UHFFFAOYSA-N 342.438 6.231 0 50 EKAA CC(C)(C)C(=O)N(Cc1ccccc1)c1ccccc1-c1ccccc1 4760468 JARALESPMAUDJZ-UHFFFAOYSA-N 343.470 5.933 0 50 EKAA O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 17068468 SARZLOZNFCQDGW-UHFFFAOYSA-N 332.684 5.142 0 50 EKAA COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)cc1 36621012 SYULATKZSCVXOM-SFHVURJKSA-N 344.842 5.026 0 50 EKAA CC[C@@H](c1cccnc1)n1cnc(-c2ccccc2)c1-c1nccs1 65408298 QWDISIRDDOPQGA-KRWDZBQOSA-N 346.459 5.068 0 50 EKAA CSc1cccc(NC(=O)N[C@@H](CC(C)(C)C)c2cccnc2)c1 952989660 OCSVYRBSVIMSRB-KRWDZBQOSA-N 343.496 5.103 0 50 EKAA CC(C)c1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 369286 SKFAYHMSXYOSEB-UHFFFAOYSA-N 328.462 5.247 0 50 EKAA Cc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl 443474 UJIBZEVMYHDPOH-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA CCC(=O)c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 586833 BUFQSGKEKDOPEX-UHFFFAOYSA-N 344.819 5.367 0 50 EKAA CCCOc1ccc(C(=O)CCc2ccccc2)cc1OCCC 2888107 QBYRSNKARSUQKB-UHFFFAOYSA-N 326.436 5.080 0 50 EKAA Cc1oc2ccc(O)cc2c1C(=O)Nc1cc(Cl)ccc1Cl 4136950 JSAJCAZPAXPAMP-UHFFFAOYSA-N 336.174 5.006 0 50 EKAA O=C(O)c1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl 65355204 LYGJVTNOSZNABW-UHFFFAOYSA-N 338.790 5.284 0 50 EKAA in-vitro COc1ccc(Oc2ccc3c(-c4ccccc4)cc(C)nc3c2)cn1 1857683630 KRQQAMGTASEHFE-UHFFFAOYSA-N 342.398 5.406 0 50 EKAA CC1(C)CCCc2c(N3CCC[C@H]3c3cccs3)nc(Cl)nc21 1875330646 XECDAEWIAWEOFM-ZDUSSCGKSA-N 347.915 5.147 0 50 EKAA Cc1ccc(SCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 469507 DPTNJKLTVMKOIP-UHFFFAOYSA-N 339.382 5.135 0 50 EKAA Cc1ccc2nc(-c3ccc(C4CCCCC4)cc3)cc(C(=O)O)c2c1 2111304 SSLCGOPEOUQCKK-UHFFFAOYSA-N 345.442 5.956 0 50 EKAA O=C(CCNc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 12961455 XCEZGWPIPNOLOF-UHFFFAOYSA-N 343.348 5.544 0 50 EKAA C(=C\c1ccccc1)\C=C\c1ccc(/C=C/C=C\c2ccccc2)cc1 216208912 RDXVBJMYWDYESH-GIUXIPRXSA-N 334.462 7.140 0 50 EKAA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](C)N2C(=O)c1ccco1 201474 JLROJHWRDIXFRX-FUHWJXTLSA-N 331.415 5.159 0 50 EKAA CSc1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 361007 OQXVRWBIVCEEMN-UHFFFAOYSA-N 333.412 5.560 0 50 EKAA CCCCOc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)cc1 2771804 QYGHYEZHBOFPSM-UHFFFAOYSA-N 335.403 5.087 0 50 EKAA CCc1ccccc1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 4542088 NRZJVQLJKJENIS-OUKQBFOZSA-N 333.456 5.629 0 50 EKAA CC[C@H](C)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 2774464 XSJNOLJQAWNWHB-KRWDZBQOSA-N 329.443 6.119 0 50 EKAA Cc1ccc(C)c(OCCCCOc2cccc3cccnc23)c1C 22238500 VCPUKXBDWVJFGD-UHFFFAOYSA-N 335.447 5.398 0 50 EKAA CSc1ccc(N[C@H](c2cccc(OC(C)C)c2)C(F)F)nc1 253416078 WKVXJMNZNACBHB-MRXNPFEDSA-N 338.423 5.009 0 50 EKAA CS[C@@H](C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12)C(C)C 2325823798 FINGTOJNRJLFBY-LJQANCHMSA-N 338.476 5.161 0 50 EKAA Fc1ccccc1Nc1nc(-c2ccc(Br)cc2)cs1 77808 BZINFFDBYMLPRC-UHFFFAOYSA-N 349.228 5.455 0 50 EKAA CC(C)c1ccc(NC(=O)CSCc2ccccc2Cl)cc1 444297 KNSWCBZURPXWJX-UHFFFAOYSA-N 333.884 5.335 0 50 EKAA c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 1554888 ROTUJQFQEFHPJK-UHFFFAOYSA-N 342.467 6.036 0 50 EKAA C[C@H](NC(=O)Nc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2 5676668 UGNNBMJGHRKZQA-SCUMNGBJSA-N 348.490 5.566 0 50 EKAA O=C(C[C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@@H](CC2CCCC2)C1 2325817654 JOHGMZQIHXWBHS-TUFLPTIASA-N 331.544 5.412 0 50 EKAA Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C(C)C 55114 LEFXBNGQMHDSQT-UHFFFAOYSA-N 349.546 5.752 0 50 EKAA CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 142025 YDXZSNHARVUYNM-UHFFFAOYSA-N 343.732 5.010 0 50 EKAA CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl 171259 OEGFKFNVKRPZDT-UHFFFAOYSA-N 343.732 5.010 0 50 EKAA Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1 260287 DJDAFGADGSIDAI-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA CCc1cccc(C)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 308367 WBBFDMJFKOFZCA-CSKARUKUSA-N 334.246 5.516 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(C)cc3)ccc21 2839722 GFPMCMVIUDSHLW-UHFFFAOYSA-N 342.442 5.304 0 50 EKAA O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1C[C@H]1c1ccccc1 3878708 FXOKWMLZVSPKPK-LEWJYISDSA-N 328.415 5.172 0 50 EKAA Cc1ccc(F)c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 4320641 MZFREUKMWZDZQV-UHFFFAOYSA-N 344.773 5.003 0 50 EKAA O=C(Nc1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 4536077 GSYXYYGSJXYENU-UHFFFAOYSA-N 331.293 5.218 0 50 EKAA O=Nc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1 5332085 GQKJQPPUXNYGSJ-UHFFFAOYSA-N 336.394 6.481 0 50 EKAA c1ccc(CNC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 19878812 KHCIKYIRXBURMY-UHFFFAOYSA-N 349.477 5.768 0 50 EKAA Fc1cccc(-c2ccc(Nc3ccc4cnccc4c3)nc2)c1F 2356169494 CVSNZGVTWDHKPW-UHFFFAOYSA-N 333.341 5.319 0 50 EKAA CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(F)cc1 131104 BRQIDQTXGVQGPA-JLHYYAGUSA-N 325.427 5.724 0 50 EKAA Cc1cc(C)c(NC(=O)COc2ccccc2C(C)(C)C)c(Cl)c1 145286 DWOKIFSSXZELCC-UHFFFAOYSA-N 345.870 5.272 0 50 EKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1cccs1 367903 CCLZZFWJTBSTCQ-UHFFFAOYSA-N 348.427 5.046 0 50 EKAA O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1 461274 OURBCQSPVJSSBC-UHFFFAOYSA-N 325.770 5.398 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 473836 CQDMWFRSCWAQDG-CQSZACIVSA-N 331.843 5.178 0 50 EKAA CN(c1ccc(O)cc1)c1nc(-c2ccc3ccccc3c2)cs1 613368 WEQYEFJWFCKBMZ-UHFFFAOYSA-N 332.428 5.437 0 50 EKAA O=C(Nc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1 4542011 BWXJKJFHROIYGE-UHFFFAOYSA-N 331.293 5.218 0 50 EKAA CC(C)c1ccc([C@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 8969823 VWNUUQQPPABHQK-LJQANCHMSA-N 334.488 5.098 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC 197099226 VQHJSIBYSWTMLS-NEUKSRIFSA-N 344.539 6.861 0 50 EKAA in-vitro COc1ccc(-c2nc3ccccc3n2Cc2cccc(C)c2)cc1 104790 FETLHISZQKYKLX-UHFFFAOYSA-N 328.415 5.069 0 50 EKAA c1ccc(CCNc2ncnc3sc(-c4ccccc4)cc23)cc1 390187 MKRFVSNROQKNHD-UHFFFAOYSA-N 331.444 5.013 0 50 EKAA Cc1ccccc1NCc1nc2ccccc2n1Cc1ccccc1 4494457 DHGYRYFQHWHEFS-UHFFFAOYSA-N 327.431 5.005 0 50 EKAA CC(C)=CCC/C(C)=C\CO[C@H](C)OC/C=C(\C)CCC=C(C)C 257346454 HMGRLNGYHHOGCU-JAMNRSEDSA-N 334.544 6.751 0 50 EKAA FC(F)c1cccc(N[C@@H](CNc2ccccc2)c2ccccc2)n1 1875342118 YIYLYJPOAMSDAJ-SFHVURJKSA-N 339.389 5.285 0 50 EKAA Cc1ccc(-c2csc3ncnc(Nc4ccc(F)cc4)c23)cc1 98367 CAKUZZRFVBEDEW-UHFFFAOYSA-N 335.407 5.549 0 50 EKAA CC(=O)CCc1oc2ccc(Br)cc2c1-c1ccc(C)o1 305474 ZSQNYZHISXRHAQ-UHFFFAOYSA-N 347.208 5.285 0 50 EKAA biogenic Cc1cccn2cc(-c3cccc(NC(=O)CCC4CCCC4)c3)nc12 4809724 YWULWWMJBPOUCB-UHFFFAOYSA-N 347.462 5.219 0 50 EKAA CC(C)(C)c1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1 4828614 PWUGKTPNYLGZGY-UHFFFAOYSA-N 342.826 5.267 0 50 EKAA C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)s1 13744537 OHOYCWCJZWSNBV-SSDOTTSWSA-N 349.670 5.591 0 50 EKAA CC[C@H](NC(=S)Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 17072175 ONZUUSKQSVPYSR-ITOSSNOYSA-N 346.515 5.107 0 50 EKAA Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 36621037 QMAUHLXMROLHHA-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA CC(C)Oc1ccc(N[P@](C)(=O)Oc2ccc(Cl)cc2)cc1 100315573 RKBSIRURGZBQEG-JOCHJYFZSA-N 339.759 5.441 0 50 EKAA CCCCc1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1 2325824214 UQERQWMLJVYUIZ-UHFFFAOYSA-N 343.883 5.367 0 50 EKAA C[C@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 73916 LOXHDXPXZQUHGG-GOSISDBHSA-N 345.442 5.398 0 50 EKAA CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 137058 AQCAKGILHAZQQU-UHFFFAOYSA-N 337.250 5.092 0 50 EKAA COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)[C@H](C)C2CC2)cc1 231992 VQQRTLBUMFEGHC-CYBMUJFWSA-N 344.842 5.186 0 50 EKAA CCc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 303079 BRGIVWSRVMZLPO-UHFFFAOYSA-N 346.455 6.084 0 50 EKAA O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)cc1 450599 FWKBWVFRASNYGX-UHFFFAOYSA-N 343.854 5.405 0 50 EKAA Cc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)cc1C 470015 UMPVYOJAOZUYRB-UHFFFAOYSA-N 335.422 5.634 0 50 EKAA Cc1cccc(F)c1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 476760 RIUYKNIMTLGBOS-IRXDYDNUSA-N 325.427 5.174 0 50 EKAA CCCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)cc1 1778075 LNGDTOOSKKRDTN-FMIVXFBMSA-N 329.827 5.089 0 50 EKAA CCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 1778117 YYTASSOHABDHAI-FMIVXFBMSA-N 349.352 5.146 0 50 EKAA Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 2041271 OJUZRFGUKHQNJX-UHFFFAOYSA-N 340.315 5.640 0 50 EKAA CCC[C@H](N[C@H]1CCO[C@H]1C)c1ccc(Oc2ccccc2)cc1 2325822322 QDXYVNCTOZGMEK-NDXORKPFSA-N 325.452 5.087 0 50 EKAA O=C(Nc1ccc(F)cc1)c1ccccc1SCc1ccccc1 471609 DXXGJYSBFCYKLZ-UHFFFAOYSA-N 337.419 5.370 0 50 EKAA O=C(NCc1cccs1)c1sc2cccc(Cl)c2c1Cl 2764011 BSIMDNLMNVSLMT-UHFFFAOYSA-N 342.272 5.200 0 50 EKAA C/C=C/c1ccc(OCCCCOc2ccc(C)c(C)c2)c(OC)c1 2937469 JYLZMSNVKWZHHX-VMPITWQZSA-N 340.463 5.583 0 50 EKAA Clc1cccc(CSc2ncnc3sc4c(c23)CCCC4)c1 4342006 HURGOWKFKYGZHF-UHFFFAOYSA-N 346.908 5.516 0 50 EKAA Cc1ccccc1-n1c(-c2ccc(Cl)cc2Cl)n[nH]c1=S 5687839 KQIRTXDTOXJSCL-UHFFFAOYSA-N 336.247 5.212 0 50 EKAA CCCCn1c(COc2cccc3ccccc23)nc2ccccc21 13017738 AXCCEMCXCMUONZ-UHFFFAOYSA-N 330.431 5.569 0 50 EKAA CCCCCCOc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 13229433 FHZOYACRIOYMLX-UHFFFAOYSA-N 328.843 5.842 0 50 EKAA CCOc1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 409545 MIFJOJCWIDHDEN-UHFFFAOYSA-N 338.234 5.077 0 50 EKAA Cc1ccc(C)c(OCCCC(=O)Nc2cccc(Cl)c2C)c1 1779307 QAGCOXXCGFFXED-UHFFFAOYSA-N 331.843 5.063 0 50 EKAA O=C1CCCCCC2CCC(CCCCCCc3ccc1cc3)CC2 4568804 BNOLWLPEQSLXSR-UHFFFAOYSA-N 340.551 7.133 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)CSCc1ccccc1Cl 218148 SHPVAIZLOFGIQO-UHFFFAOYSA-N 340.275 5.174 0 50 EKAA c1ccc(OCCCn2c(-c3ccccc3)nc3ccccc32)cc1 2689422 IIMDMFSKDQYLMU-UHFFFAOYSA-N 328.415 5.172 0 50 EKAA Clc1sc(C2=NN(c3ccccc3)CC2)c(Cl)c1Cl 4725148 XZHFQTRJHCHXBN-UHFFFAOYSA-N 331.655 5.323 0 50 EKAA CC(=O)Oc1cccc2ccc(/C=C/c3c(F)cccc3Cl)nc12 4915703 AVAQUYWJGCVCJI-ZHACJKMWSA-N 341.769 5.123 0 50 EKAA Cc1cccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@H]42)c1 5032449 PTBBRFLEDQEGLD-HSZRJFAPSA-N 344.502 5.541 0 50 EKAA Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 35476481 BCJFRESCLMGBEF-GOSISDBHSA-N 328.843 5.326 0 50 EKAA CCc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 72284478 QIBLBDKAPULXBO-UHFFFAOYSA-N 341.479 6.707 0 50 EKAA CC(C)c1cc(C(=O)NCC[C@H]2CCCC2(C)C)c(O)c(C(C)C)c1 1875357309 BALDLUHBPOWHFK-QGZVFWFLSA-N 345.527 5.585 0 50 EKAA CCCc1ccc(Oc2c(C)oc3cc(OCC)ccc3c2=O)cc1 189807 YZSLVVSQOQAVHG-UHFFFAOYSA-N 338.403 5.245 0 50 EKAA biogenic Cc1ccc(OCc2nc(-c3ccc(Cl)cc3Cl)no2)c(C)c1 444774 GHHQIEVVFKUHGI-UHFFFAOYSA-N 349.217 5.239 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2ccccc2)cc1 1766718 ROLAEDJDOHFYQW-UHFFFAOYSA-N 329.443 6.038 0 50 EKAA CC(C)(C)c1cc(SCCc2ccccn2)cc(C(C)(C)C)c1 2810244 UUQUDDNWSQJGTH-UHFFFAOYSA-N 327.537 6.011 0 50 EKAA Cc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)cc1Cl 17072491 DZBQHISGUADGBQ-UHFFFAOYSA-N 348.943 5.151 0 50 EKAA CC/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCC(=O)O 35965877 LTERDCBCHFKFRI-MBRSJONVSA-N 344.495 5.520 0 50 EKAA in-vitro CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/C=C\CCC(=O)O 64858161 ZHBVYDMSPDDAKE-WKAJDGKKSA-N 344.495 5.520 0 50 EKAA in-vitro CCCCCCc1csc(-c2sccc2CCCCCC)c1 71791726 FWQMKAFKIYUBKB-UHFFFAOYSA-N 334.594 7.722 0 50 EKAA in-vitro COc1ccc(OC)c([C@@H]2O[C@H]3CCCC[C@H]3c3sc(C)cc32)c1 242498691 HOBBDLHPRHUDAZ-CCKFTAQKSA-N 344.476 5.220 0 50 EKAA O=C(NCc1ccccc1)N1c2ccccc2Sc2ccccc21 91218 ZGPOCYPNYDVRTG-UHFFFAOYSA-N 332.428 5.199 0 50 EKAA biogenic,in-vivo O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 317566 BVXWCMAKPJGDEF-UHFFFAOYSA-N 349.261 5.236 0 50 EKAA CC(C)(c1ccccc1)c1cccc(C(C)(C)c2ccccc2)c1O 1782971 LEGVVOKXDUOMFV-UHFFFAOYSA-N 330.471 6.044 0 50 EKAA CCc1cc(OCCCCOc2cccc(OC)c2)ccc1Cl 2985909 VJYWVEIVQFRWPQ-UHFFFAOYSA-N 334.843 5.149 0 50 EKAA CCCOc1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1 16247927 LQRTVSNMLJKQSE-UHFFFAOYSA-N 342.442 5.540 0 50 EKAA CC(C)c1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1 68114 QUTQUEQVMDABMF-UHFFFAOYSA-N 344.458 5.261 0 50 EKAA Cc1ccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)cc1 134725 WTWVEOPPGFRTGU-UHFFFAOYSA-N 336.460 5.108 0 50 EKAA COc1ccccc1O[P@@](C)(=O)Nc1ccc(Cl)c(Cl)c1 326094 LOZFSOWEZPKMDT-OAQYLSRUSA-N 346.150 5.316 0 50 EKAA O=C(Nc1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 395987 NEBAXDJIOZBTKK-UHFFFAOYSA-N 337.806 5.171 0 50 EKAA O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1 438338 QAWIBPFMUDWCDF-UHFFFAOYSA-N 337.806 5.171 0 50 EKAA CCOc1c(Cl)cc(CNC(C)(C)CC(C)(C)C)cc1OC 2881980 ZVNVJRINYFJPAT-UHFFFAOYSA-N 327.896 5.052 0 50 EKAA CC[C@H](C)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1 3722562 NAVAHFWVZUPGPQ-AWEZNQCLSA-N 338.476 5.485 0 50 EKAA CC(C)CCCCCCCCCCCCCCC(=O)OC[C@H](C)O 5758002 BJRXGOFKVBOFCO-FQEVSTJZSA-N 342.564 6.028 0 50 EKAA CC(C)NC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 253531141 HRROJQJBNRGRQT-GYLYOQPXSA-N 347.587 5.148 0 50 EKAA biogenic Cc1ccc2cccc(OC(=O)Nc3cccc(Cl)c3Cl)c2n1 396378 AVIUHSQDVGMOPC-UHFFFAOYSA-N 347.201 5.461 0 50 EKAA COc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 613051 LVFIJTPOXUMKPE-UHFFFAOYSA-N 346.839 5.224 0 50 EKAA COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 3860826 JBWYRBLDOOOJEU-UHFFFAOYSA-N 338.834 5.235 0 50 EKAA biogenic,in-vitro Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 4811281 DYAISFCIFGSCHN-KRWDZBQOSA-N 347.414 5.193 0 50 EKAA c1ccc(CCOc2ccccc2-c2nc3ccccc3s2)cc1 4825954 FWKKCUIZZIMYOH-UHFFFAOYSA-N 331.440 5.585 0 50 EKAA FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12 84370 GYHZXPAQRVJVJB-UHFFFAOYSA-N 339.320 5.082 0 50 EKAA CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(C)=O)c3)nc2c1 558164 BFKOGRIIJILMKK-NSHDSACASA-N 342.826 5.620 0 50 EKAA Cc1cc(C)cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 13496965 LSLBZAFVKUEBJS-UHFFFAOYSA-N 325.264 5.419 0 50 EKAA Cc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1C 208483 XNDYZFWABMBMBN-UHFFFAOYSA-N 330.456 6.324 0 50 EKAA CCCOc1ccccc1-c1cc(C(=O)O)c2cc(Cl)ccc2n1 6044404 XKKTYWVWMMYZAI-UHFFFAOYSA-N 341.794 5.042 0 50 EKAA O=C1CCC[C@H]1C[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 22204975 DXWZFUPCEUMLAK-WMZOPIPTSA-N 326.823 5.066 0 50 EKAA CC(C)(C)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746260 YWXMWOJAWGFMJQ-UHFFFAOYSA-N 341.454 6.072 0 50 EKAA in-vitro Cc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(Br)cc12 1384999 QHXBRTHZGSPBMB-UHFFFAOYSA-N 349.611 5.388 0 50 EKAA CC[C@@H](C)c1ccccc1OCCCn1cc(C=O)c2ccccc21 2866722 BQFDTFJOQYWINF-QGZVFWFLSA-N 335.447 5.436 0 50 EKAA CCCCc1ccc(NC(=O)CCc2ccc(OC)c(Cl)c2)cc1 4542043 OMZHSPZHWNKEGO-UHFFFAOYSA-N 345.870 5.263 0 50 EKAA CC[C@H](C)Oc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 4915121 MSRGZWOXCICCJO-BTYIYWSLSA-N 345.442 5.491 0 50 EKAA CC[C@@H](C)Oc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 4915122 MSRGZWOXCICCJO-QVKFZJNVSA-N 345.442 5.491 0 50 EKAA CCOc1ccc2[nH]c(C)c(Cc3ccc(OC)cc3)c(=S)c2c1 6499743 OIFMCGMMYLWVKR-UHFFFAOYSA-N 339.460 5.204 0 50 EKAA Fc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)cc1 36351118 ZHFHCBMXBKQWTN-IRLDBZIGSA-N 344.389 5.068 0 50 EKAA COc1cccc([C@@H]2CCCCN2C(=O)c2ccc3oc(C)cc3c2)c1 91656614 SSQNCAKLMSUNBC-FQEVSTJZSA-N 349.430 5.117 0 50 EKAA O=C(Nc1ccc(Cl)c(C(F)F)c1)[C@H]1C[C@@H]1Cc1ccccc1 1875362536 JFCZVXZUUVFQAJ-JSGCOSHPSA-N 335.781 5.095 0 50 EKAA CC(C)=C[C@H]1[C@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C 1033 VEMKTZHHVJILDY-VQTJNVASSA-N 338.447 5.152 0 50 EKAA biogenic,in-man CCn1c2c(c3cc(OCc4ccccc4)ccc31)CCCCC2=O 202403 ZOWVJWZKLGSTQR-UHFFFAOYSA-N 333.431 5.149 0 50 EKAA O=C(Oc1ccccc1)c1ccc(COc2ccc3ccccc3c2)o1 484328 YPFOUPIJKXOOSH-UHFFFAOYSA-N 344.366 5.231 0 50 EKAA COc1cc(CNC2CCCCCC2)ccc1OCc1cccs1 4842756 GYJUBXOPTBCBKT-UHFFFAOYSA-N 345.508 5.148 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1 13674228 GLGAUBPACOBAMV-DOFZRALJSA-N 343.555 6.411 0 50 EKAA in-vitro Oc1ccccc1-c1nc(Nc2ccccc2Cl)c2ccccc2n1 17179915 GSYZTHAJOOZUCI-UHFFFAOYSA-N 347.805 5.399 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)Nc3ccc(F)cc3F)sc2c1 68238 AIXHCOCPZAJWFX-UHFFFAOYSA-N 337.778 5.394 0 50 EKAA CCOc1cc(OCC)cc(C(=O)Nc2ccc([C@H](C)CC)cc2)c1 441743 HKPBLAKOCPHGQN-OAHLLOKOSA-N 341.451 5.250 0 50 EKAA CCN(Cc1ccccc1)Cc1ccc2c(c1)c1ccccc1n2CC 1226435 XJJBQWKXDCTENI-UHFFFAOYSA-N 342.486 5.837 0 50 EKAA Cc1cccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)c1 4541825 QSDANHRGOJYGLJ-UHFFFAOYSA-N 339.822 5.480 0 50 EKAA CCc1cccc(CC)c1N(C(=O)CC1CCCCC1)[C@@H](C)COC 23114797 IAHXLAVPMPYUNB-KRWDZBQOSA-N 345.527 5.150 0 50 EKAA Brc1cc2cc3sc(Br)cc3cc2s1 85483690 SXRSYJAHJIIXFM-UHFFFAOYSA-N 348.084 5.641 0 50 EKAA in-vitro Clc1ccc2c(NCC[C@@H]3CCc4ccccc4C3)ccnc2c1 2325853474 QLSXDQOASXJVLS-HNNXBMFYSA-N 336.866 5.495 0 50 EKAA CC(C)(C)c1ccccc1OCCCOc1ccccc1C(C)(C)C 2880422 MZHNMHNCDAWXFW-UHFFFAOYSA-N 340.507 6.130 0 50 EKAA O=C(Nc1cccc(Cl)c1Cl)c1cccc(Br)c1 239360 RWAOMLRSRZSQSC-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1 356536 DKTAPSFUCLWPHR-UHFFFAOYSA-N 346.386 5.464 0 50 EKAA CCSc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 2857487 JJDRUHUWJXNMEA-UHFFFAOYSA-N 347.483 5.318 0 50 EKAA CCc1cc(OCCn2c3ccccc3c3ccccc32)ccc1Cl 2992215 CQEOZOWVRVDBAP-UHFFFAOYSA-N 349.861 6.089 0 50 EKAA COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3F)C2)cc1 5018252 MLFAHJIWMYLGOA-JOCHJYFZSA-N 346.405 5.190 0 50 EKAA CC(=O)Nc1c(Cl)c(Cl)c2c(c1Cl)Cc1cc(F)ccc1-2 398870 FJQINNOJQJBLRC-UHFFFAOYSA-N 344.600 5.316 0 50 EKAA O=C(NCCSCc1ccccc1)c1ccc(-c2ccccc2)cc1 2842295 LGVURQDLJSXHJX-UHFFFAOYSA-N 347.483 5.017 0 50 EKAA O=C1CCCCCCCCCCCc2ccc(cc2)Cc2ccc1cc2 4533381 RXTZNEOGTUPVFY-UHFFFAOYSA-N 348.530 6.917 0 50 EKAA O=C(NC(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4619130 KXIAKBAHZBHWRZ-UHFFFAOYSA-N 345.486 5.109 0 50 EKAA Cc1cccc(-c2nc(CSc3nc4ccccc4o3)cs2)c1 17071037 KWRAYBJWFUFZAF-UHFFFAOYSA-N 338.457 5.552 0 50 EKAA CC(C)c1cc(N[C@H](C)c2ccccc2C(F)(F)F)n2nccc2n1 72143374 MDHXLIZTBPRVJU-GFCCVEGCSA-N 348.372 5.045 0 50 EKAA CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC[C@H](C)O 96023980 QWQYZEAVCOQEQB-YNLHEVEDSA-N 337.548 5.297 0 50 EKAA in-vitro c1ccc(C2(c3ccccc3)c3ccccc3Nc3ccccc32)cc1 142290560 HWTHOPMRUCFPBX-UHFFFAOYSA-N 333.434 6.126 0 50 EKAA in-vitro COc1ccc(C2=C(C)[C@H](c3cccs3)c3ccccc3O2)cc1 80245 CNBXPHDKSPFFMR-FQEVSTJZSA-N 334.440 5.712 0 50 EKAA CCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 1216397 AWTIOGPIZFXRJE-UHFFFAOYSA-N 332.762 5.026 0 50 EKAA CCCCc1ccc(NC(=S)NCc2ccccc2Cl)cc1 2836633 ZBJPUVXNFSXCDY-UHFFFAOYSA-N 332.900 5.169 0 50 EKAA CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)OC 25722242 WTKAVFHPLJFCMZ-NIBLXIPLSA-N 332.484 5.292 0 50 EKAA in-vitro FC1(F)CC12CC(CNc1ccc(Oc3ccc(Cl)cc3)cc1)C2 2325864484 PYVCZEXIIZLRFJ-UHFFFAOYSA-N 349.808 5.980 0 50 EKAA O=C1C[C@H](c2c(F)cccc2Cl)c2ccc3ccccc3c2N1 110007 NJECBMPYFCGDQW-AWEZNQCLSA-N 325.770 5.106 0 50 EKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(Cl)cc(Cl)c1 303843 SULYSLNRNVMKDW-UHFFFAOYSA-N 347.201 5.209 0 50 EKAA CC(C)c1cc(NC(=O)c2cccc(Cl)c2)cc(C(C)C)c1O 307616 WOJOYQZYQLJQBR-UHFFFAOYSA-N 331.843 5.545 0 50 EKAA O=C(Nc1cccc(Cl)c1)c1cc(Br)ccc1Cl 317107 BAVFKQYHIZDAQZ-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Cc1ccc(CNC(=S)Nc2ccccc2Oc2ccccc2)cc1 609279 VACMJGYMKGTRFD-UHFFFAOYSA-N 348.471 5.274 0 50 EKAA CC1=C[C@H](C)[C@H]([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2C)CC1 4183055 QSUPTRRWODEWFH-NJNPRVFISA-N 346.474 5.386 0 50 EKAA CC(=O)[C@]1(C)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 5049127 HCFSGRMEEXUOSS-BICKFQKCSA-N 340.507 5.280 0 50 EKAA Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 5068659 XMZJKMOSKDBIED-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 196807668 DEFTZOFCLNDIMR-UHFFFAOYSA-N 327.362 5.012 0 50 EKAA in-vitro FC(F)(F)c1ccc(-c2ccc(CNc3ccccc3)cc2)nc1 263640057 VHTPURRLTOEMQB-UHFFFAOYSA-N 328.337 5.380 0 50 EKAA Cc1cccc(NC(=O)NCc2ccccc2Oc2ccccc2C)c1 1875318553 SASRIAAFEUHTRT-UHFFFAOYSA-N 346.430 5.417 0 50 EKAA Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1Cl 464125 ZFJXBGQUKIQZSC-UHFFFAOYSA-N 349.817 5.132 0 50 EKAA O=C(/C=C/c1ccc(F)cc1)N(C1CCCCC1)C1CCCCC1 1779214 BQWAAQJFXQIEOY-DTQAZKPQSA-N 329.459 5.333 0 50 EKAA CCCOc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1917338 PMWFYVJIUAIBPN-UHFFFAOYSA-N 339.222 5.426 0 50 EKAA Cc1ccc(C(C)C)c(OCCCOc2cccc3ccc(C)nc23)c1 2822572 UVPFWLSAJJARQM-UHFFFAOYSA-N 349.474 5.823 0 50 EKAA CCCN[C@H](CCc1cccs1)c1ccc(Br)cc1 111454278 IPKUPYBRELWXDV-MRXNPFEDSA-N 338.314 5.184 0 50 EKAA CCCCCCC(=O)Nc1ccc(Oc2ccccc2)c2cccnc12 1875341293 NTODORDSXXHONI-UHFFFAOYSA-N 348.446 5.936 0 50 EKAA O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12 117121 PXLJUIWJJFCBEM-UHFFFAOYSA-N 342.373 5.293 0 50 EKAA Cc1ccc(NC(Nc2ccc(C)cc2)C(=O)c2cccs2)cc1 389043 NOHSFOSUWZTWII-UHFFFAOYSA-N 336.460 5.098 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)Sc1ccc(Cl)cc1 401789 SAVVSQKUSPPTBC-UHFFFAOYSA-N 332.639 5.971 0 50 EKAA c1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)cc1 462878 CKNWYEDZKZIINT-UHFFFAOYSA-N 334.463 5.586 0 50 EKAA Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)c(C)c1 1191596 BDSJYBHVZFNNPF-UHFFFAOYSA-N 329.443 5.341 0 50 EKAA COc1ccc(OCCCCOc2ccc(Cl)cc2Cl)cc1 2904721 QICQVQOMVRCXKC-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA Brc1ccc(/C=C\c2nccc3c2[nH]c2ccccc23)cc1 4758750 UKEXBVIYHUXTKK-YFHOEESVSA-N 349.231 5.649 0 50 EKAA CCCCCCOP(=O)(OCCCCCC)OCC(F)(F)F 4951945 MLNTVTMFEOLXRQ-UHFFFAOYSA-N 348.342 5.867 0 50 EKAA CCN(Cc1ccccc1)Cc1nc(-c2cccc(Cl)c2)oc1C 12835920 SVBFVSJKQAQWGI-UHFFFAOYSA-N 340.854 5.326 0 50 EKAA Cc1ccc(-c2nnc([C@H](C)Nc3cccc(C(F)F)c3)o2)cc1C 123558089 GVXQRWUABSZEQT-ZDUSSCGKSA-N 343.377 5.464 0 50 EKAA CCC[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C(C)C 242688217 VKZWRJPZKYCXEQ-LUKWVAJMSA-N 337.507 5.266 0 50 EKAA CCC[C@H](N[C@@H](C)c1ccccc1)c1ccc(Oc2ccccc2)cc1 2325822178 HFJNLNSSJQACJC-CYFREDJKSA-N 345.486 6.671 0 50 EKAA C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 13744535 PFSQVNSXHIRVJH-ZETCQYMHSA-N 349.670 5.591 0 50 EKAA CCCc1ccc([C@@H](C)NC(=S)Nc2ccc(OCC)cc2)cc1 13751361 PBZKAHSJJGTQMJ-OAHLLOKOSA-N 342.508 5.085 0 50 EKAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(F)c1 67595 CZLTZGZFNXKMHA-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA Cc1c(Cc2ccccc2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 95294 LHRIPWXZPGTKHS-UHFFFAOYSA-N 344.410 5.317 0 50 EKAA biogenic C[C@@H]1CCCC[C@H]1OC(=O)Nc1cc(Cl)c(Cl)cc1Cl 396465 SBXJSFVTLBQWFA-AMIZOPFISA-N 336.646 5.774 0 50 EKAA CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 1487934 JSASWRWALCMOQP-UHFFFAOYSA-N 331.459 5.323 0 50 EKAA aggregator,biogenic,in-vitro CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccccc2N)cc1 1761759 SNURMEDSOLSWTL-UHFFFAOYSA-N 341.495 5.440 0 50 EKAA O=C(Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 4869938 GPYUKIWLNSSTNL-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA O=C(c1cc2ccccc2o1)c1cc2cc(-c3ccccc3)ccc2o1 1875341176 JOJTXUUCDOFPIU-UHFFFAOYSA-N 338.362 6.077 0 50 EKAA CC1=CCC[C@H](C)[C@@H]1CNc1ccccc1CN(C)c1ccccc1 2325817678 KTKMKSOXPJAQKG-SIKLNZKXSA-N 334.507 5.727 0 50 EKAA COc1cccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)c1 215594 FMKZNAUEHVJDJG-UHFFFAOYSA-N 341.414 5.357 0 50 EKAA CCCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 2814286 OVANNPZJWZDHCW-UHFFFAOYSA-N 342.822 5.368 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Cc1coc2ccc3ccccc3c12 4867006 UCJMGQHOCOVFNW-UHFFFAOYSA-N 349.817 5.729 0 50 EKAA Clc1ccc2onc(-c3cnc4c(c3)COc3ccccc3-4)c2c1 33730361 ADFAKULQJKLXTB-UHFFFAOYSA-N 334.762 5.103 0 50 EKAA CCCCCCc1cc(Br)cc(CCCCCC)c1 115943534 FVTKYSBFHHVYJG-UHFFFAOYSA-N 325.334 6.695 0 50 EKAA in-vitro Cc1ccc(-c2ccncc2)cc1NC(=O)c1cc2cc(F)ccc2o1 117644143 UWHGFLIRSYGFAF-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1Br 137003822 GLWMETZJHQNWOV-UHFFFAOYSA-N 339.048 5.047 0 50 EKAA Clc1ccc2c(NCC[C@H]3CCc4ccccc4C3)ccnc2c1 2325853475 QLSXDQOASXJVLS-OAHLLOKOSA-N 336.866 5.495 0 50 EKAA O=P(CCc1ccccc1)(CCc1ccccc1)c1ccccc1 3106110 KRDGOMKVHGFCGH-UHFFFAOYSA-N 334.399 5.160 0 50 EKAA COc1cc(Cl)cc(/C=C/c2ccc3ccccc3n2)c1OC 5065716 MMOLHJOBSQDTEX-CSKARUKUSA-N 325.795 5.076 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CCCC(=O)O 34532429 OXENLKNOBTVOJA-JLNKQSITSA-N 326.480 5.996 0 50 EKAA in-vitro CC(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 303693 WFVHENZHJMOSOE-UHFFFAOYSA-N 341.760 5.735 0 50 EKAA O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccco1 387107 URJWCRULKZPTHH-UHFFFAOYSA-N 346.411 5.322 0 50 EKAA CCCc1cc(=O)oc2cc(OCc3ccccc3F)c(Cl)cc12 434781 BJYAHBLIPJBXQC-UHFFFAOYSA-N 346.785 5.117 0 50 EKAA Cc1ccc2[nH]c(SCc3cccc(C(F)(F)F)c3)nc2c1C 451016 YTVLDNBAZIGSLG-UHFFFAOYSA-N 336.382 5.491 0 50 EKAA CCCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 2171735 PCCXNCQWDMTGKC-UHFFFAOYSA-N 337.250 5.832 0 50 EKAA C[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 2749317 BKWURTBLCJUGEI-VJWQYWRGSA-N 327.427 5.105 0 50 EKAA Cc1ccc([C@H]2C[C@H](c3ccccc3)Sc3c(C)cccc32)cc1 5753107 AJRSHRKCOCSRRX-FGZHOGPDSA-N 330.496 6.672 0 50 EKAA CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 13281402 XCCJHWPREGFUJH-UHFFFAOYSA-N 340.426 5.809 0 50 EKAA CCC[C@H](NCC[C@H](O)CC)c1ccc(Oc2ccccc2)cc1 2325822460 YQOLQDDCYVLWOP-NQIIRXRSSA-N 327.468 5.071 0 50 EKAA CCN(Cc1ccccc1)Cc1ccc(-c2ccc(Cl)cc2)o1 213220 AWUKMELMMYRBMQ-UHFFFAOYSA-N 325.839 5.622 0 50 EKAA Cc1cc(C)cc(CSCC(=O)Nc2ccc(C(C)C)cc2)c1 445128 SGTWEWAHQWMMAX-UHFFFAOYSA-N 327.493 5.299 0 50 EKAA COc1ccc(/C=C(/C(=O)Nc2cccc(F)c2)c2ccccc2)cc1 1137803 MJXZTIBTUYGNAV-KGENOOAVSA-N 347.389 5.014 0 50 EKAA Cc1cc(N[C@@H](C)c2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 21799065 MFUHSKDJXGLDPL-HNNXBMFYSA-N 346.409 5.017 0 50 EKAA CC(C)(C)c1cc(OCc2ccccc2)ccc1OCc1ccccc1 71769256 ZXFUBXJQBHXKNG-UHFFFAOYSA-N 346.470 6.142 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 390442 YRBLDIWVKDFGGW-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA CCc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 471253 NMKPUPMAKDSOTI-UHFFFAOYSA-N 347.483 5.794 0 50 EKAA Clc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1 2845298 KCTJJZKINCMCCT-UHFFFAOYSA-N 332.790 5.724 0 50 EKAA CC[C@H](C)N1C(=O)CC[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12 334163479 ULFJZQFBFIWLSX-JXFKEZNVSA-N 346.474 5.307 0 50 EKAA CC[C@]1(C)C[C@@H](c2nc(-c3ccc(OC)cc3)cs2)CCS1 496019 GEJIIDBCVDGQKV-KBXCAEBGSA-N 333.522 5.598 0 50 EKAA O=C(Nc1cccc(Cl)c1)c1cccc(OCc2ccccc2)c1 859290 ILAKCHPTLHAQDB-UHFFFAOYSA-N 337.806 5.171 0 50 EKAA Cc1ccc(C2=NN(c3ccccc3)[C@H](C=C(Cl)Cl)C2)cc1 4948262 VXMWOUVLRSPDLS-INIZCTEOSA-N 331.246 5.297 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCC(=O)O 28135480 IFRKCNPQVIJFAQ-SQVNIFJQSA-N 344.495 5.520 0 50 EKAA in-vitro CCc1cc(=O)oc2c(C)c(OCc3c(F)cccc3Cl)ccc12 454702 XKXYEIXAPCDEME-UHFFFAOYSA-N 346.785 5.035 0 50 EKAA COc1ccc2cc(Br)ccc2c1COc1ccccc1 467912 NCJZGLOIOHMVCJ-UHFFFAOYSA-N 343.220 5.190 0 50 EKAA CC(C)c1cc(Nc2ccc(Br)cc2)cc(C(C)C)c1O 1896465 CCVSHFKPUMOQEN-UHFFFAOYSA-N 348.284 6.145 0 50 EKAA Cc1cc(Nc2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 2216643 GRACRCVSIZGFCB-UHFFFAOYSA-N 348.837 5.410 0 50 EKAA CCc1nc2sc(-c3ccccc3)c(-c3ccccc3)c2c(=O)o1 2999872 DYHRWDTWYSVJCA-UHFFFAOYSA-N 333.412 5.146 0 50 EKAA CCc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 5065355 DOSGLJIUDHNQKR-UHFFFAOYSA-N 337.448 5.075 0 50 EKAA Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1Cl 13320092 PRRPDPNPBAMVPM-UHFFFAOYSA-N 339.620 5.055 0 50 EKAA CC(C)(C)c1cc(Br)c(Cl)c(Br)c1 63339627 WMMPUKCLMBOGTC-UHFFFAOYSA-N 326.459 5.163 0 50 EKAA CN(C)CCS[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl 96026368 XACPRDBUDHEVBD-KRWDZBQOSA-N 340.319 5.378 0 50 EKAA CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 248179242 XRQMGIQLKOIPKU-FPZPBXSISA-N 344.539 5.702 0 50 EKAA Cc1c(C)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O 455188 BKJCAMVPPGXULO-UHFFFAOYSA-N 349.213 5.296 0 50 EKAA Cc1cccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)c1C 1214169 POHMNWGGJBJFSF-UHFFFAOYSA-N 339.438 5.483 0 50 EKAA O=C(O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 1397300 GWHSPAGSUKYSEY-UHFFFAOYSA-N 349.333 5.194 0 50 EKAA c1ccc2cc(-c3ccc(-c4ccc5ccccc5c4)s3)ccc2c1 3107477 LEMWLAGRIRTZGD-UHFFFAOYSA-N 336.459 7.389 0 50 EKAA CCCc1c(C(=O)N2c3ccccc3C[C@H]2C)sc2ccccc12 169867798 GRZTWGRBMHLESJ-CQSZACIVSA-N 335.472 5.445 0 50 EKAA CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257346161 STKWRJUKSJWSDX-GBTVMJSESA-N 346.555 5.987 0 50 EKAA Cc1cc(C)cc(OCc2ccc(C(=O)Nc3ccc(C)cc3C)o2)c1 115676 XBYQIJWODBHQPX-UHFFFAOYSA-N 349.430 5.345 0 50 EKAA CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 453943 JJKDVLOVLYNSGF-OAQYLSRUSA-N 346.405 5.159 0 50 EKAA O=P(NCc1ccccc1)(Oc1ccccc1)Oc1ccccc1 1562086 WWOHGSPVWZHMKU-UHFFFAOYSA-N 339.331 5.042 0 50 EKAA Cc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 4541816 CQXXKGTVDQDXQT-UHFFFAOYSA-N 339.822 5.480 0 50 EKAA CC[C@@H](NC(=O)Nc1cc(Cl)ccc1C)c1ccc(Cl)cc1 13330204 NXWLKLZXDIRWRA-OAHLLOKOSA-N 337.250 5.575 0 50 EKAA CCCCCC[C@@H](C)COC(=O)c1cccc2c1ccn2C(C)C 1875357299 AKYKNOVMOVSIJA-QGZVFWFLSA-N 329.484 5.986 0 50 EKAA O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(F)cc1 317549 ZNWXEAVSWZPTAF-UHFFFAOYSA-N 337.419 5.370 0 50 EKAA C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1 529011 LJXKTONKXSUFPQ-IAGOWNOFSA-N 344.458 5.020 0 50 EKAA c1ccc2c(c1)Cc1c-2c2c(c3c1-c1ccccc1C3)-c1ccccc1C2 1687008 YGPLLMPPZRUGTJ-UHFFFAOYSA-N 342.441 6.400 0 50 EKAA in-vitro Cc1c(C)c2ccc(OCc3ccc4ccccc4c3)cc2oc1=O 4833479 JNRSTPCSGXKCRC-UHFFFAOYSA-N 330.383 5.142 0 50 EKAA CSc1ccccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 4858745 WDBBCGPMHXKIJB-UHFFFAOYSA-N 345.773 5.333 0 50 EKAA O=C1C[C@@H](c2cccs2)Cc2nc(-c3ccc(Cl)cc3)ccc21 12374977 HZUZPFPTGIDOLF-ZDUSSCGKSA-N 339.847 5.376 0 50 EKAA CCN(Cc1ccccc1)Cc1nc(-c2ccc(Cl)cc2)oc1C 14950988 MEDDWLNYISAMBD-UHFFFAOYSA-N 340.854 5.326 0 50 EKAA CC(=C(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C 71773446 CYGZMOQFIMJEIT-UHFFFAOYSA-N 338.475 7.545 0 50 EKAA O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1-c1cccs1 115013071 MRKBXXICOCQUCY-IBGZPJMESA-N 349.455 5.058 0 50 EKAA C1=C[C@@H]2[C@@H]1C1(Cc3ccccc3)N=NC2(Cc2ccccc2)[C@@H]2C=C[C@H]21 230109897 OVPRGOYKNGAKIF-FJEMWIOTSA-N 338.454 5.033 0 50 EKAA COc1cc(C(=O)O[C@@H](C)CC(C)(C)C)ccc1OCCC(C)C 1875357657 PXOBIXXTAIMTJL-HNNXBMFYSA-N 336.472 5.102 0 50 EKAA CC[C@@]1(C(C)C)C[C@@H]1C(=O)Nc1ccccc1OCC1CCCCC1 1875357863 ZMCBTGRIBRYVDW-GCJKJVERSA-N 343.511 5.657 0 50 EKAA CC[C@@H](C)c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325823682 AMJDBDCCDAVKIT-CYBMUJFWSA-N 326.440 6.206 0 50 EKAA CCc1ccc(-c2cc(N3CCC(C)CC3)c3ccccc3n2)cc1 4542546 ITPLTUPQGWZMTM-UHFFFAOYSA-N 330.475 5.701 0 50 EKAA Cc1cccc(Nc2cc(C)nc3c(-c4ccccc4Cl)cnn23)c1 23114944 GCHIOHIDFIFGOF-UHFFFAOYSA-N 348.837 5.410 0 50 EKAA O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 252320861 YQNTWNOXMQOVET-WOVFQEGDSA-N 329.871 5.607 0 50 EKAA O=C(C[C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CC[C@@H](CC2CCCC2)C1 2325817655 JOHGMZQIHXWBHS-XSDIEEQYSA-N 331.544 5.412 0 50 EKAA S=C(Nc1ccccc1Oc1ccccc1)NC1CCCCC1 315582 MSHCQNJKRUWLRG-UHFFFAOYSA-N 326.465 5.098 0 50 EKAA COc1cccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)c1 535109 MYDJTJRTDPXCJQ-UHFFFAOYSA-N 332.428 5.481 0 50 EKAA CC(C)=C[C@@H]1[C@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C 900675 VEMKTZHHVJILDY-WOJBJXKFSA-N 338.447 5.152 0 50 EKAA biogenic,in-man Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)CCCC(C)C 2988916 KLDZDYSYZKOTBA-ZDUSSCGKSA-N 348.874 5.248 0 50 EKAA CCC1(CC)O[C@@H]2c3cc4ccccc4cc3OCN2c2ccccc21 3626421 VRKQURXZKJQXAP-JOCHJYFZSA-N 345.442 5.740 0 50 EKAA O=C(NCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl 13320456 UNNBCRVUAKLRBC-UHFFFAOYSA-N 334.769 5.061 0 50 EKAA CC(=O)O[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257358320 STKWRJUKSJWSDX-APHIEYKHSA-N 346.555 5.987 0 50 EKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@@H](CCc3ccc(F)c(F)c3)CC2)CC1 1857777578 FQZFDALKYRQQTE-ICNBMTIMSA-N 348.521 7.310 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)C(c1ccccc1)c1ccccc1 306828 WWKPVCJVZJFWGL-UHFFFAOYSA-N 335.834 5.419 0 50 EKAA CC(=O)c1c(OCc2ccccc2)cccc1OCc1ccccc1 366929 ZQJARFAIOBJZSO-UHFFFAOYSA-N 332.399 5.047 0 50 EKAA CC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 381213 OJENVBWGZAMKEC-UHFFFAOYSA-N 339.778 5.055 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 1807000 LIVMUDVIMKFBTF-UHFFFAOYSA-N 342.225 5.913 0 50 EKAA CC(C)c1ccccc1OCCCCOc1cccc2cccnc12 4702011 QUMIUPVCIKFZPI-UHFFFAOYSA-N 335.447 5.596 0 50 EKAA CCCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 4832493 XQIHFMIUFXYOHR-UHFFFAOYSA-N 337.341 5.137 0 50 EKAA Cc1ccc2n1CCN(c1nc(-c3ccc(Cl)cc3)cs1)[C@H]2C 116898 RTSKQHNWNMMEED-ZDUSSCGKSA-N 343.883 5.155 0 50 EKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2ccccc12 363266 LUHGOIMCFMELQV-UHFFFAOYSA-N 349.739 5.764 0 50 EKAA O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 374372 HVMXZGIQRXDUIE-CABCVRRESA-N 339.744 5.101 0 50 EKAA C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(Cl)c(Cl)c1 408601 APNAZUSIMDJSJV-LBPRGKRZSA-N 337.250 5.136 0 50 EKAA C[C@H]1CC2(CCCCC2)N(C(=O)c2ccccc2)Cc2ccccc21 1157435 HWGTZXHFUYPLAW-SFHVURJKSA-N 333.475 5.539 0 50 EKAA biogenic CCn1c(SCc2ccccc2F)nnc1-c1cccc(Cl)c1 2450289 RMJUBPNQEZUVMG-UHFFFAOYSA-N 347.846 5.050 0 50 EKAA CCCCCCC(=O)Nc1c(CC)c(CCC)nc2ccccc12 3200204 LVWYACMAHSAWOC-UHFFFAOYSA-N 326.484 5.659 0 50 EKAA O=C(COc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 4813806 SJTMBKUKZQIWQG-UHFFFAOYSA-N 345.423 5.225 0 50 EKAA CCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN12 13616483 CGHXBMDJGVVKRQ-UYAOXDASSA-N 340.854 5.318 0 50 EKAA Clc1ccc2nc(Nc3nc4c(Cl)cccc4s3)[nH]c2c1 1857795469 LKNOTAMEQCHIHK-UHFFFAOYSA-N 335.219 5.223 0 50 EKAA CCN(CC)c1ccc(NC(=S)Nc2ccc(Cl)cc2)c(C)c1 410062 DCQYKXJGJACHKI-UHFFFAOYSA-N 347.915 5.304 0 50 EKAA Cc1sc(NC(=O)CCC2CCCCC2)nc1-c1ccccc1 433765 XCTNCRNPUXEHEC-UHFFFAOYSA-N 328.481 5.418 0 50 EKAA CCCC1CCC(c2ccc(-c3nc(-c4ccncc4)no3)cc2)CC1 2479385 VXHKOOHPZMAOMU-UHFFFAOYSA-N 347.462 5.873 0 50 EKAA COc1cc2c(cc1NC(=O)Nc1cccc(C)c1)oc1ccccc12 4647182 MIAAJZXNXWYHAM-UHFFFAOYSA-N 346.386 5.547 0 50 EKAA aggregator C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 13744533 PFSQVNSXHIRVJH-SSDOTTSWSA-N 349.670 5.591 0 50 EKAA Clc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 35654128 UPOMZZQMFGCHGB-UHFFFAOYSA-N 343.817 5.526 0 50 EKAA C[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 91223 VILKVBQVVXZVAU-OAHLLOKOSA-N 346.455 5.760 0 50 EKAA Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)nc1 336785 UOTKIFDEAIDNNR-UHFFFAOYSA-N 325.047 5.846 0 50 EKAA Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2-c2ccccc2)c1 382537 KMIINCZHYDULHL-UHFFFAOYSA-N 345.442 5.296 0 50 EKAA CC[C@@]1(C)C[C@@H](c2nc(-c3ccc(OC)cc3)cs2)CCS1 496018 GEJIIDBCVDGQKV-KSSFIOAISA-N 333.522 5.598 0 50 EKAA BrC(=C(c1ccccc1)c1ccccc1)c1ccccc1 1670927 VUQVJIUBUPPCDB-UHFFFAOYSA-N 335.244 5.998 0 50 EKAA COc1ccccc1CCCN[C@H](CC(C)C)c1ccccc1C 2325841760 FPEFSBYFVOULMU-OAQYLSRUSA-N 325.496 5.313 0 50 EKAA Clc1ccc(Sc2c(-c3ccccc3)nc3sccn23)cc1 88132 CRTHDAUSIDUEFA-UHFFFAOYSA-N 342.876 5.867 0 50 EKAA CCC(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Cl 188986 KSJJGYIVHBLJTF-UHFFFAOYSA-N 342.826 5.620 0 50 EKAA Cc1ccc(C)c(N2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 1229338 OKBGGOCUGGEQPN-UHFFFAOYSA-N 348.534 5.152 0 50 EKAA O=C(CCNc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 1425416 CFFPKVNDPRNUMQ-UHFFFAOYSA-N 349.308 5.016 0 50 EKAA CCOc1nc2c(c(C(F)(F)F)n1)C[C@H](C)C/C2=C\c1ccccc1 4501522 YAGQAFACHQMKMQ-SLQMCABGSA-N 348.368 5.017 0 50 EKAA Cc1ccc(C[n+]2ccc(-c3ccccc3)cc2-c2ccccc2)cc1 5414197 OKJGWEVMLAPLOL-UHFFFAOYSA-N 336.458 5.665 0 50 EKAA CC(C)C[C@@H](NCC1(c2cccc(Cl)c2)CC1)c1ccncc1 1875336936 KOFMFMLCNRKFIM-LJQANCHMSA-N 328.887 5.144 0 50 EKAA COc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1 432930 XZNIKHFBYUHOAN-UHFFFAOYSA-N 328.371 5.079 0 50 EKAA O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1Cl 443620 RGLVTXNNLRZAGR-UHFFFAOYSA-N 326.248 5.114 0 50 EKAA CC(C)(C)c1csc(Nc2ncc(C(F)(F)F)cc2Cl)n1 1385624 UVIHRLXVCIDQSB-UHFFFAOYSA-N 335.782 5.251 0 50 EKAA Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 2032734 NTEIZPBYXABJKN-UHFFFAOYSA-N 343.817 5.526 0 50 EKAA CCN(CC)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 2750809 ZDDYMCIEFHWDCJ-UHFFFAOYSA-N 339.479 5.045 0 50 EKAA c1csc(C2=NN3[C@H](C4CCCCC4)Oc4ccccc4[C@H]3C2)c1 4854229 LZHWXQRBTSDFEJ-XLIONFOSSA-N 338.476 5.198 0 50 EKAA CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(O)cc21 64858591 MDXHTLBJLOYLRK-UHFFFAOYSA-N 343.426 5.531 0 50 EKAA in-vitro Cc1ccc(C)c(Nc2nc(-c3ccccc3)c3ccc(C)cc3n2)c1 242273445 YCTKNAGEUAUTRR-UHFFFAOYSA-N 339.442 5.966 0 50 EKAA Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O 95142 PVMWIVJAXNKFRM-UHFFFAOYSA-N 338.790 5.785 0 50 EKAA Cc1oc2c(C)c3oc(=O)c4c(c3cc2c1-c1ccccc1)CCC4 95188 ZBAKYPFBVMJTCA-UHFFFAOYSA-N 330.383 5.312 0 50 EKAA biogenic C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccs1 107540 UHMIRDSPQBODCP-MAUKXSAKSA-N 348.471 5.340 0 50 EKAA O=C(Nc1cccc2ncccc12)c1sc2ccccc2c1Cl 128194 WGROBLDOEHVBQE-UHFFFAOYSA-N 338.819 5.355 0 50 EKAA COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 145304 ICWXILBRUHFTDO-JXMROGBWSA-N 343.854 5.432 0 50 EKAA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c3c(cccc13)CC2 312084 PTCFRWCLTSCKER-UHFFFAOYSA-N 342.225 5.498 0 50 EKAA COc1ccc(C2=Nc3ccccc3N[C@@H](c3ccc(F)cc3)C2)cc1 446744 NOUCOUVYMVAQCT-OAQYLSRUSA-N 346.405 5.512 0 50 EKAA CCOC(=O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 1703594 CLTGCNWALWRZLV-UHFFFAOYSA-N 346.213 5.385 0 50 EKAA c1ccc2c(c1)Sc1ccccc1N2c1ccc2ccccc2n1 2173294 SLFWORKAOZBCPQ-UHFFFAOYSA-N 326.424 6.169 0 50 EKAA Cc1c([C@@H](C)NCc2ccccc2)cnn1-c1cccc2ccccc12 12386987 OQJWRTPMUGOCGE-QGZVFWFLSA-N 341.458 5.185 0 50 EKAA CC/C=C\C[C@@H](O)/C=C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)O 27643284 SWTYBBUBEPPYCX-RRQCUPCBSA-N 344.495 5.520 0 50 EKAA in-vitro Cc1ccc2oc(C(=O)N3CCCCC[C@@H]3c3ccco3)c(C)c2c1 97402355 OGULHYNXUFGCJG-QGZVFWFLSA-N 337.419 5.400 0 50 EKAA CC(C)=CCCC1=CC[C@@H](COC(=O)Nc2ccccc2)[C@H](C)C1 210996 XYVMZXFVHJLCOA-MJGOQNOKSA-N 327.468 5.954 0 50 EKAA biogenic O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1Cl 4696587 MWSDOEQEOIKHRL-UHFFFAOYSA-N 349.242 5.369 0 50 EKAA in-vivo Cc1cc(C)cc(Oc2nc(-c3ccccc3F)nc3ccccc23)c1 4872993 MNRUNLPWQMQAJD-UHFFFAOYSA-N 344.389 5.845 0 50 EKAA CCCCCn1cc(Cc2cccc3ccccc23)c2ccccc21 13476519 TYBRSILIYTUTSQ-UHFFFAOYSA-N 327.471 6.576 0 50 EKAA in-vitro O=C(Nc1ccccc1Cl)n1c(=S)oc2cc(Cl)ccc21 22203689 LBZAXPNLZQXPMU-UHFFFAOYSA-N 339.203 5.351 0 50 EKAA C/C=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257345654 FGSFYZNXYHDZKI-STQPQCOASA-N 344.539 5.907 0 50 EKAA COc1ccccc1-c1ccnc(N[C@H]2CCC[C@H]2CCC(C)C)n1 2325840314 XDYLLJJATPLYRV-WMZOPIPTSA-N 339.483 5.169 0 50 EKAA COc1ccccc1Nc1nc(-c2cccc(C)c2)nc2ccccc12 144297 YAZZMBYNAGLDMA-UHFFFAOYSA-N 341.414 5.357 0 50 EKAA COc1ccc(CCCC(=O)Nc2ccccc2C(C)C)cc1C 237617 BOKYYXSKAYNRLS-UHFFFAOYSA-N 325.452 5.088 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cccc2cccnc12 395300 OPQKNBYTDQCNCX-UHFFFAOYSA-N 333.174 5.153 0 50 EKAA CCC(=O)c1ccc(OCc2ccc(C(=O)c3ccccc3)cc2)cc1 1078478 ZENCPPXDDPRLDV-UHFFFAOYSA-N 344.410 5.089 0 50 EKAA CC[C@@H](C)c1ccc(OCCCOc2ccc(C)cc2OC)cc1 2985813 FRZBYDQHUJNUOH-QGZVFWFLSA-N 328.452 5.365 0 50 EKAA c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)c1 13616573 LZHWXQRBTSDFEJ-FXAWDEMLSA-N 338.476 5.198 0 50 EKAA Cc1cc(C)cc(NC(=O)N2CCCCC[C@H]2c2cccs2)c1 15866998 LTECUUJAHUYWNG-KRWDZBQOSA-N 328.481 5.514 0 50 EKAA Clc1ccc(Oc2ccc(NC[C@@H]3CC[C@@H]4C[C@H]4C3)cc2)nc1 2325864674 VYYLDJIAQITFGE-RBSFLKMASA-N 328.843 5.375 0 50 EKAA CCOc1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl 619745 SKIDFFJNZITNNA-UHFFFAOYSA-N 341.263 5.201 0 50 EKAA CC(C)[C@H](c1ccccc1)N(O[C@@H](C)c1ccccc1)C(C)(C)C 1659295 FPFRTDOMIFBPBZ-GHTZIAJQSA-N 325.496 6.177 0 50 EKAA c1ccc2c(c1)-c1ccccc1C2C1c2ccccc2-c2ccccc21 1665815 QXAIDADUIMVTPS-UHFFFAOYSA-N 330.430 6.611 0 50 EKAA in-vitro S=C(N[C@H]1CC=CCC1)N(Cc1ccccc1)CC1CCCCC1 5773415 WHWRIAWECRATIH-FQEVSTJZSA-N 342.552 5.052 0 50 EKAA CC[C@@H](C)c1ccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)cc1 6117221 JBWQETQHHCHBJF-CQSZACIVSA-N 333.431 5.730 0 50 EKAA c1ccc(CCCCC2CCN(CCOc3ccccc3)CC2)cc1 96027185 VZOISGCSNANZIC-UHFFFAOYSA-N 337.507 5.190 0 50 EKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C)c(F)c3F)CC2)CC1 2325702657 WHGVTSKLKPNRHU-VVPTUSLJSA-N 334.494 7.154 0 50 EKAA Cc1c(C)c(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C 437603 XNFKWUSFAZIIFC-UHFFFAOYSA-N 336.262 5.788 0 50 EKAA CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccc(F)cc1 2204398 KLGDTKLFPKLSRR-KRWDZBQOSA-N 337.331 5.203 0 50 EKAA COc1cc(C)ccc1OCCCOc1c(C)cc(C)cc1Cl 2985685 GGCDQPWGRBYXOY-UHFFFAOYSA-N 334.843 5.122 0 50 EKAA COc1ccc(C2=N[C@H](c3ccccc3)C=C(c3ccccc3)O2)cc1 3107146 YNEADGQMOSGPFV-NRFANRHFSA-N 341.410 5.254 0 50 EKAA Cc1ccc([C@@H](C)CCN(CCc2ccccc2)Cc2ccccc2)o1 5031957 QIHHKWSJFNWJKX-FQEVSTJZSA-N 347.502 5.827 0 50 EKAA C[C@H](CCc1ccc(O)cc1)N[C@H](Cc1ccccc1)c1ccccc1 5722992 TZRUIISVMVCADI-NTKDMRAZSA-N 345.486 5.287 0 50 EKAA C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1 449708 VYAXUCXEWHANSU-DYESRHJHSA-N 347.483 5.397 0 50 EKAA Cc1ccc(C)c(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)c1 1299455 WMHHELUDPNNACM-UHFFFAOYSA-N 341.414 5.363 0 50 EKAA C=Cc1ccc(COc2cc3oc(=O)cc(CC)c3cc2Cl)cc1 2905691 ROQVWRAEUSMTAB-UHFFFAOYSA-N 340.806 5.231 0 50 EKAA CCCOc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 2973058 ZGDFDRDFTWGQLM-UHFFFAOYSA-N 343.426 5.299 0 50 EKAA FC(F)(F)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1 4977593 NYBPAEGZXVJOSU-UHFFFAOYSA-N 333.397 5.160 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\CCCC/C=C\CCC(=O)O 27645434 DFNQVYRKLOONGO-NCCUQKBMSA-N 332.528 6.997 0 50 EKAA in-vitro O=C(c1cc2cc(Cl)c3ccccc3c2o1)c1cc(F)ccc1F 1875309669 HQCNIWAVEWEDOD-UHFFFAOYSA-N 342.728 5.749 0 50 EKAA O=C1C[C@@H](c2cccc(Cl)c2Cl)c2c(ccc3ccccc23)N1 180903 DMZFNXYEODXZBV-AWEZNQCLSA-N 342.225 5.621 0 50 EKAA Cc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C 2068718 LKQUOCVOZKCPOX-UHFFFAOYSA-N 349.286 6.477 0 50 EKAA Cc1cccc(C)c1N(Cc1ccco1)C(=O)CC1CCCCC1 23115146 CHTAIYIAJKCWFE-UHFFFAOYSA-N 325.452 5.400 0 50 EKAA CCOc1ccc2nc(SCC(=O)c3ccc(C)s3)sc2c1 96377 WKLURSPBAHDADP-UHFFFAOYSA-N 349.502 5.040 0 50 EKAA Cc1cccc(C(=O)Nc2cccc(C(=O)c3ccc(C)c(C)c3)c2)c1 367735 DMISNUYVYMTKPA-UHFFFAOYSA-N 343.426 5.095 0 50 EKAA O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C(F)(F)F)c1 1096733 QQYNCRSELBCMAW-UHFFFAOYSA-N 348.246 5.368 0 50 EKAA O=P(Oc1ccccc1)(Oc1ccccc1)OC1CCCCC1 3086390 CPKKNIYMTSBFIQ-UHFFFAOYSA-N 332.336 5.602 0 50 EKAA Cc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)c(C)c1 13736898 POSLMDBRQLKWBK-UHFFFAOYSA-N 325.264 5.419 0 50 EKAA O=C1CCCC[C@H]1[C@@H](Nc1ccc2ccccc2c1)c1cccnc1 23550160 FHMYXZJSUCPNII-IRLDBZIGSA-N 330.431 5.147 0 50 EKAA CN1CCC[C@H](NCc2ccc(-c3ccccc3)o2)c2ccccc21 2325878202 HXEFGIOECXBTLJ-FQEVSTJZSA-N 332.447 5.008 0 50 EKAA CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 111282 APSNSJLBIGECBQ-ZDUSSCGKSA-N 333.834 5.420 0 50 EKAA O=C(/C=C/c1ccco1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 452255 IQMRWQPRSCLOTD-VAWYXSNFSA-N 339.778 5.377 0 50 EKAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc2c1CCCC2 460927 YCPYOEKAKWDWBG-UHFFFAOYSA-N 343.854 5.015 0 50 EKAA Cc1ccc(Nc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 534907 PWVZJUBOELLZOZ-UHFFFAOYSA-N 335.354 5.276 0 50 EKAA c1ccc(-c2ccccc2OCCCn2cnc3ccccc32)cc1 2868224 FQNNEPBPUZVJJO-UHFFFAOYSA-N 328.415 5.172 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 4474564 MBMBGCFOFBJSGT-KUBAVDMBSA-N 328.496 6.549 0 50 EKAA endogenous,fda Cc1c(Cl)cccc1NC(=O)N1CCCCC[C@@H]1c1cccs1 15867049 RQFAZDZFQXTUNN-MRXNPFEDSA-N 348.899 5.859 0 50 EKAA CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Nc1ccccc1 499907 HPFTYYCDWPULHF-HNNXBMFYSA-N 338.451 5.410 0 50 EKAA S=C(Nc1cccc2ccccc12)N1CC=C(c2ccccc2)CC1 608625 HJYQRRNFBRSSFZ-UHFFFAOYSA-N 344.483 5.326 0 50 EKAA Clc1cccc(COc2ccc(-c3cnc4ccccc4n3)cc2)c1 2861145 CXFQQNRTCWAJQS-UHFFFAOYSA-N 346.817 5.529 0 50 EKAA O=C(Nc1cccc(Cl)c1)[C@H]1CC1(c1ccccc1)c1ccccc1 4187414 SXMYKDQYYUNKCX-HXUWFJFHSA-N 347.845 5.285 0 50 EKAA Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(Cl)c(F)c3)o2)cc1 120401711 MNARGJWCOAZXHJ-LLVKDONJSA-N 331.778 5.011 0 50 EKAA CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 170629034 PPDFDSUQCMHLLB-KFWWJZLASA-N 333.438 5.030 0 50 EKAA CC[C@@H](Cc1ccccc1Br)N[C@@H](C)c1ccccc1 670420461 LDDLOTJIPGLUDU-YOEHRIQHSA-N 332.285 5.121 0 50 EKAA COc1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 152232 ZZXQEIZRLFPFBP-UHFFFAOYSA-N 325.433 5.111 0 50 EKAA O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(ccc3ccccc23)N1 258580 SXYKIZWQVXHPDX-HNNXBMFYSA-N 341.332 5.333 0 50 EKAA CCc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 317771 PYLQYKNWULGDMI-UHFFFAOYSA-N 325.795 5.415 0 50 EKAA Nc1cccc(C(=O)N(c2ccccc2)c2ccc3ccccc3c2)c1 348014 WOVDIEUHAMCLIP-UHFFFAOYSA-N 338.410 5.401 0 50 EKAA Cc1ccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1 433221 XRMNVCUMFIWJNI-UHFFFAOYSA-N 325.415 5.657 0 50 EKAA COc1cc(C=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 454558 IGVUJGJLDQTDES-UHFFFAOYSA-N 345.609 5.047 0 50 EKAA Cc1cc(C)c(NC(=O)CCSc2ccc(Cl)cc2)c(C)c1 470302 WHUAFNIYPUGLNO-UHFFFAOYSA-N 333.884 5.386 0 50 EKAA CSc1cccc(NC(=O)NC2CCCCCCCCCCC2)c1 13320142 JKGBLMKWBWJEPU-UHFFFAOYSA-N 348.556 6.203 0 50 EKAA CCc1ccc2c(Cl)c(C(=O)N[C@@H](C)c3ccncc3)sc2c1 16604917 PXJSRCUOPYYSGW-NSHDSACASA-N 344.867 5.003 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccsc2)[C@@H]3CCC1 22078051 HUOOUQUUWARQOO-HXUWFJFHSA-N 336.504 5.295 0 50 EKAA COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 96062 XIOGJAPOAUEYJO-UHFFFAOYSA-N 326.399 5.419 0 50 EKAA Clc1ccc(-n2nc(-c3cccnc3)cc2-c2ccccc2)cc1 392580 NOWLJIZPSXJILO-UHFFFAOYSA-N 331.806 5.255 0 50 EKAA CN1c2ccccc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc13)O2 2271822 DTQKEQFXLWFVCS-QHCPKHFHSA-N 327.427 5.369 0 50 EKAA in-vitro OCc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 3107421 YHGPHBFJDFFPRQ-UHFFFAOYSA-N 336.434 6.180 0 50 EKAA CC1=Nc2ccccc2N=C(O)[C@@H]1Sc1nc2ccccc2s1 5249863 KVUHROYPULSWFU-OAHLLOKOSA-N 339.445 5.151 0 50 EKAA CCCc1ccccc1N=c1[nH]c(-c2cc(F)ccc2OC)cs1 2325879287 PMHGIWSHLBWVLN-UHFFFAOYSA-N 342.439 5.076 0 50 EKAA CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 312770 HNWJLBOXZYWGBE-HXUWFJFHSA-N 346.455 5.180 0 50 EKAA Cc1ccc(-c2nnc(Nc3ccccc3O)c3ccccc23)cc1 449196 RBLFAVBMMGHRLO-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA O=C(Nc1ccc(F)cc1F)c1cc2sc3ccccc3c2s1 477024 FTIMVXMUUKPCHZ-UHFFFAOYSA-N 345.395 5.647 0 50 EKAA Fc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 619311 UJUHLAQHQZSSDU-UHFFFAOYSA-N 338.407 5.427 0 50 EKAA CCOC(=O)c1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1 2028462 KPHRKDYULZJAKV-UHFFFAOYSA-N 346.213 5.385 0 50 EKAA CCC[C@H]1CC[C@H](C2CCC(c3ccc(C)c(F)c3F)CC2)CC1 2088617606 WHGVTSKLKPNRHU-POSCCBCBSA-N 334.494 7.154 0 50 EKAA FC(F)(F)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1 122837 ARHFTGVTFPUMMX-UHFFFAOYSA-N 328.337 5.486 0 50 EKAA Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1C 433849 UARQNOFGTGGPKH-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2C)[C@H]3CCC1 5032442 MXKBUKGHAVOMCJ-QHCPKHFHSA-N 344.502 5.541 0 50 EKAA CC(C)c1ccccc1NC(=O)CSc1ccc2ccccc2n1 12383091 QQGPEHLYISZDLO-UHFFFAOYSA-N 336.460 5.089 0 50 EKAA CCN(CC)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 60746 VYKPRGBGVFKQAG-UHFFFAOYSA-N 337.250 5.092 0 50 EKAA O=C(O)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12 119674 YDZNRNHKJQTGCG-UHFFFAOYSA-N 342.350 5.056 0 50 EKAA biogenic,in-vitro CSc1ccccc1NC(=O)c1sc2ccccc2c1Cl 183458 IKGOTELMPNLZBA-UHFFFAOYSA-N 333.865 5.529 0 50 EKAA COc1ccc(C[C@@H](C)N[C@@H](C)c2cccc3ccccc23)cc1OC 217427 PUWIKFREHDQCHT-SJORKVTESA-N 349.474 5.139 0 50 EKAA CC[C@@H](C)c1ccccc1NC(=O)Cc1ccc(Br)cc1 319021 SYXYPXILDRSPQF-CYBMUJFWSA-N 346.268 5.144 0 50 EKAA CCCCCC[C@H](O)CCCCCCCCCCC(=O)OCC 4546843 FAUQJFRSOKONGU-IBGZPJMESA-N 328.537 5.782 0 50 EKAA C[C@@H](Cc1cccnc1)n1cnc(-c2ccccc2)c1-c1ccoc1 65373113 MLYQANSUDMQDSD-INIZCTEOSA-N 329.403 5.009 0 50 EKAA O=C([C@H](F)CC1CCCCC1)N1c2ccccc2C=Cc2ccccc21 2325817681 KZMPKMUQIPBPIN-HXUWFJFHSA-N 349.449 6.144 0 50 EKAA CC1(C)CC=CCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)C1 2325825397 OTAQPIONBIOUDA-UHFFFAOYSA-N 340.294 5.086 0 50 EKAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccccc1 444391 NIEIBVAPUDRSFS-UHFFFAOYSA-N 347.805 5.136 0 50 EKAA CCC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccccc1 507298 JLWZUIZSSHGXLR-OAQYLSRUSA-N 347.458 5.240 0 50 EKAA Cc1ccc2oc(C(=O)Nc3ccc(Br)cc3)c(C)c2c1 617231 GNPOBMUPCVQRSZ-UHFFFAOYSA-N 344.208 5.064 0 50 EKAA Clc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1 4010715 XYCOPXQUSIVJLY-HNNXBMFYSA-N 328.824 5.350 0 50 EKAA aggregator C[C@H](NC(=O)Nc1ccc(Cl)cc1F)c1ccc(C(C)(C)C)cc1 20551132 LYEAFVQKPCOUNN-LBPRGKRZSA-N 348.849 5.659 0 50 EKAA CCCCN1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 33639111 LDCAVJYDEQRFHB-SFTDATJTSA-N 343.898 5.320 0 50 EKAA Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1Cl 183375229 IZJADORZHTYONL-UHFFFAOYSA-N 347.201 5.209 0 50 EKAA COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1F 296139 JALJAIHEMDUVNV-UHFFFAOYSA-N 334.803 5.355 0 50 EKAA CCOc1ccccc1OCCCCOc1ccc(Cl)cc1C 2991250 BEZUMFXUKGZKAQ-UHFFFAOYSA-N 334.843 5.285 0 50 EKAA CCc1ccc(-c2cc(N3CCCC[C@@H]3C)c3ccccc3n2)cc1 4542573 KELGJPBOCITEGF-KRWDZBQOSA-N 330.475 5.843 0 50 EKAA O=C(CCSc1ccccc1)Nc1c(Cl)cccc1Cl 6729000 QLPBNGBTZJAGKR-UHFFFAOYSA-N 326.248 5.114 0 50 EKAA O=C(c1ccccc1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 192046 MDLPUNZSVCJTNH-HXUWFJFHSA-N 344.439 5.279 0 50 EKAA CCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 445433 FPEAQGCSDGIOTJ-ONNFQVAWSA-N 336.218 5.044 0 50 EKAA CCCOc1cccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1 6044055 OHDVLYFIKIQYBN-UHFFFAOYSA-N 341.794 5.042 0 50 EKAA C[C@@H](SCc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl 6701585 BFZLKXTZNADPHS-LLVKDONJSA-N 340.275 5.254 0 50 EKAA C1=C[C@@H]([C@@H]2C=CCCCCCCCCC2)CCCCCCCCC1 257345518 ZVQLJQKZIPBSRE-DNQXCXABSA-N 330.600 8.380 0 50 EKAA COc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1 91205 XWCMBHHWUADGLR-UHFFFAOYSA-N 348.427 5.530 0 50 EKAA Clc1ccc(CSc2nnc(-c3ccccc3)o2)c(Cl)c1 290192 BYWRSXHCDYYMKR-UHFFFAOYSA-N 337.231 5.336 0 50 EKAA c1ccc(Cc2nc3ccccc3n2CCCOc2ccccc2)cc1 2689443 ZUGTUGIDHMDFDG-UHFFFAOYSA-N 342.442 5.096 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O 8860491 YUFFSWGQGVEMMI-JLNKQSITSA-N 330.512 6.773 0 50 EKAA endogenous,in-man CC[C@@H](NC(=O)Nc1ccccc1Br)c1ccc(C)cc1 13745342 ZGPNIWCKZIVYIM-OAHLLOKOSA-N 347.256 5.030 0 50 EKAA CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@]12C 216030370 LFDDUQXVBIIJBD-NQUKYDJQSA-N 344.583 6.529 0 50 EKAA CC[C@@H](SCc1nc(O)c2cc(Cl)ccc2n1)c1ccccc1 466980349 GJQJOZQWRFKNGH-MRXNPFEDSA-N 344.867 5.373 0 50 EKAA COc1ccccc1-c1nnc([C@H](C)Oc2ccc3ccccc3c2)o1 1775996383 CRFXBISXJCCURA-AWEZNQCLSA-N 346.386 5.038 0 50 EKAA COC(=O)c1ccc2nc(C)cc(Nc3cccc(Cl)c3C)c2c1 144071 VJEKBTDVAGKSBY-UHFFFAOYSA-N 340.810 5.035 0 50 EKAA Cc1ccccc1-c1nc2cc(NC(=O)/C=C/c3ccco3)ccc2o1 277284 PYZODNTVSKQIDM-PKNBQFBNSA-N 344.370 5.048 0 50 EKAA CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3)nc2c1 464889 WWFNNYNLONUOLM-AWEZNQCLSA-N 336.435 5.603 0 50 EKAA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 610896 AJTKBLKSHCWVSB-UHFFFAOYSA-N 341.332 5.625 0 50 EKAA Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 1164122 WNNVVNYWVXODOW-UHFFFAOYSA-N 341.288 5.478 0 50 EKAA CCC(C(=O)Nc1ccc(C)c(Cl)c1)(C(F)(F)F)C(F)(F)F 2870705 UKBMDJZSRVRYNV-UHFFFAOYSA-N 347.686 5.108 0 50 EKAA c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 4336426 XFVZHFLPHLUWLZ-HTAPYJJXSA-N 343.451 5.663 0 50 EKAA c1ccc(C[C@H]2[C@@H]3[C@@H]4CC[C@H]5[C@@H]4[C@@H]4[C@@H]3[C@@H]3[C@@H]2[C@@H]2CC[C@H]6[C@H]5[C@H]4[C@H]3[C@H]62)cc1 257359119 YNVBYFVPGWTHNA-SYKKRCRZSA-N 342.526 5.141 0 50 EKAA CCC[C@H](N[C@@H]1COC[C@@H]1CC)c1ccc(Oc2ccccc2)cc1 2325822368 TYRWUUALNYDGPX-BULFRSBZSA-N 339.479 5.335 0 50 EKAA Cc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc(=S)n1C 171102 QGMRGKZEJFWMFB-UHFFFAOYSA-N 348.280 5.075 0 50 EKAA CN(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCCCC1 397351 JYRRODALMBLZBC-UHFFFAOYSA-N 335.662 5.443 0 50 EKAA O=C(c1cnc(Nc2ccccc2)s1)c1ccc(Cl)cc1Cl 1395928 CMQCONSDBOPILP-UHFFFAOYSA-N 349.242 5.425 0 50 EKAA CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 1915509 HUCXKZBETONXFO-NJFMWZAGSA-N 330.556 7.501 0 50 EKAA in-man Cc1ccc(OCCCCOc2cccc3cccnc23)c(Cl)c1 2986968 ZLGPBHKFVKGGQA-UHFFFAOYSA-N 341.838 5.435 0 50 EKAA CCC[C@H](N[C@H](C)c1ccccc1)c1ccc(Oc2ccccc2)cc1 2325822179 HFJNLNSSJQACJC-DVECYGJZSA-N 345.486 6.671 0 50 EKAA CC(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 473006 BSNYUHRJGZXEEJ-UHFFFAOYSA-N 348.880 5.200 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 1514731 ASUCRFVOBIZQSN-UHFFFAOYSA-N 348.246 5.368 0 50 EKAA biogenic Cc1cc(SCc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 2395299 GAFSQISOWDXLEN-UHFFFAOYSA-N 345.471 5.305 0 50 EKAA CCc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1 2526055 SLASEFQPBKTKLB-UHFFFAOYSA-N 325.795 5.124 0 50 EKAA Cc1c(-c2cccc(Cl)c2)nc2c(Cl)cccc2c1C(=O)O 2526100 QCWDDJQETRNHFX-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA CCO[C@]12c3ccccc3O[C@H](c3ccccc3)[C@]1(C)C2(Cl)Cl 100326295 LTTXHCFFVPHQAN-FGTMMUONSA-N 349.257 5.246 0 50 EKAA O=[N+]1/C(=C2/C=Cc3ccccc3N2O)C=Cc2c1ccc1ccccc21 334157360 MUNRMNZQCNNVEA-DQRAZIAOSA-N 339.374 5.411 0 50 EKAA CCC[C@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)CCC(C)(C)C2 1875357734 UVMUMDGBWQFMTA-GOEBONIOSA-N 333.541 5.352 0 50 EKAA Fc1ccc(CNc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 2325759386 BUZHLXJHQGUMKA-UHFFFAOYSA-N 327.786 5.884 0 50 EKAA CC1(C)CC[C@@H](NC2(CCOCc3ccccc3)CC2)c2ccccc21 2325765966 BNBAJZNLMBTBMQ-JOCHJYFZSA-N 349.518 5.528 0 50 EKAA COc1ccc(CNc2ccc(C)c(C)c2)cc1OCc1ccccc1 441176 QCQGOQSVXRRTRP-UHFFFAOYSA-N 347.458 5.503 0 50 EKAA Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 1066623 NWKLVLCFUJGHMU-KRWDZBQOSA-N 331.415 5.068 0 50 EKAA O=C(c1ccccc1CCc1ccccc1)N1CCCc2ccccc21 1192417 TYFCVXAFHOBTBY-UHFFFAOYSA-N 341.454 5.065 0 50 EKAA COc1ccc(C(C)(C)C)cc1-c1cc(C(C)(C)C)ccc1OC 2689547 YCEWUMHYHIAYGB-UHFFFAOYSA-N 326.480 5.966 0 50 EKAA Cc1cc(C)c2c(CC(=O)Nc3ccc(Cl)cc3C)coc2c1 4821313 NMLIINOWMQWQPP-UHFFFAOYSA-N 327.811 5.193 0 50 EKAA Cc1ccc2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc2n1 13235411 BXDMBGMQGSIXID-UHFFFAOYSA-N 331.202 5.102 0 50 EKAA C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 13330079 ITBHMPHDWLMAQK-SECBINFHSA-N 343.641 5.530 0 50 EKAA CC(C)[C@H](c1ccccc1)N(O[C@H](C)c1ccccc1)C(C)(C)C 100995931 FPFRTDOMIFBPBZ-WIYYLYMNSA-N 325.496 6.177 0 50 EKAA Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](C)c1nc(-c2ccncc2)cs1 230205602 RUGWQYOAUPOORM-IIDMSEBBSA-N 349.503 5.413 0 50 EKAA CSc1ccc(N[C@@H](c2cccc(OC(C)C)c2)C(F)F)nc1 253416077 WKVXJMNZNACBHB-INIZCTEOSA-N 338.423 5.009 0 50 EKAA O=C(Nc1cc(Cl)ccc1Cl)c1cccc(Br)c1 240948 AXJARYDTXXNWND-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA CCc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 397298 FLJVMTWOVBRKKV-UHFFFAOYSA-N 344.458 5.483 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)CSc1ccc(Cl)cc1 402135 WBLFRYUZRGLVQY-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA O=C(CSc1ccccc1)Nc1ccc(Nc2ccccc2)cc1 472143 BHVAPIQYWZMTCG-UHFFFAOYSA-N 334.444 5.161 0 50 EKAA CC(C)(C)C(=O)c1cn(CCOc2ccc(F)cc2)c2ccccc12 614808 MKZRCSAWYRHNED-UHFFFAOYSA-N 339.410 5.088 0 50 EKAA O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2ccccc2c1 1230057 OHZCWTCOLCTDHE-UHFFFAOYSA-N 337.422 5.688 0 50 EKAA c1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)cc1 1673123 FDRNXKXKFNHNCA-UHFFFAOYSA-N 336.438 6.841 0 50 EKAA CC[C@@H](C)c1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526062 FQVMBVAIHQHJTH-GFCCVEGCSA-N 339.822 5.767 0 50 EKAA CCc1cc2c(=O)c(Oc3ccc(F)cc3)coc2cc1OC(C)C 2891891 SVAGLVLOBCGZPI-UHFFFAOYSA-N 342.366 5.074 0 50 EKAA CCCC[C@@H](CC)COCCN(C)CCOC[C@H](CC)CCCC 5298565 PSIRGZQWZAIUGO-NHCUHLMSSA-N 343.596 5.384 0 50 EKAA Cc1ccc(Cl)cc1NC(=S)Nc1c(F)c(F)cc(F)c1F 17072470 RGFVJYFLTHINBH-UHFFFAOYSA-N 348.752 5.014 0 50 EKAA C=C=C[Sn](CCCC)(CCCC)CCCC 169746987 QAHMAFPUBBWUIS-UHFFFAOYSA-N 329.116 5.716 0 50 EKAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1ccccc1C1CCC1 1875305263 NUTONYJTJAOEJR-KESTWPANSA-N 349.474 5.074 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)/C(Cl)=C/c1ccccc1 54690 ILUSGNDZBMDVCQ-ZSOIEALJSA-N 326.610 5.212 0 50 EKAA CC1=CC(C)(C)Nc2ccc(OC(=O)CCC3CCCCC3)cc21 75801 DSZKPDROFIPSQA-UHFFFAOYSA-N 327.468 5.560 0 50 EKAA Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1Cl 398224 OYPMNXAUFXKTAZ-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA O=C(Nc1cccc(Cl)c1Cl)c1ccccc1Br 55463 KHOSTYCIJJVEQN-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccs1 107546 UHMIRDSPQBODCP-QAPCUYQASA-N 348.471 5.340 0 50 EKAA Clc1ccc(-c2nc3cc(NCc4cccs4)ccc3o2)cc1 1062876 GJLYSOLWTADWEZ-UHFFFAOYSA-N 340.835 5.822 0 50 EKAA COc1ccc(C(=O)CCNc2ccc(C3CCCCC3)cc2)cc1 2520612 MBGQSCWQGZYLAE-UHFFFAOYSA-N 337.463 5.428 0 50 EKAA Cc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1C 2903713 FKUJCUWCWJVXKX-UHFFFAOYSA-N 330.456 6.324 0 50 EKAA CCOC(=O)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 21993018 GBRCWXJKFLLFPV-UHFFFAOYSA-N 335.378 5.095 0 50 EKAA in-vitro CC(C)C1CCC([C@@](C)(O)CNCc2cccc3ccccc23)CC1 2325842287 TZCICTQQWQCUMR-HCPAQRILSA-N 339.523 5.143 0 50 EKAA COc1ccc(O)c(C2SCc3cc(C)c(C)cc3CS2)c1 82149 LZOQKZYEBDHQQM-UHFFFAOYSA-N 332.490 5.196 0 50 EKAA Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 301808 HLUIPDHOSRVUCP-UHFFFAOYSA-N 335.834 5.419 0 50 EKAA CCC(=O)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 444558 JELOMMKSCUXNJL-UHFFFAOYSA-N 342.398 5.510 0 50 EKAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 471296 OLKRQUKHCPPMTP-NRFANRHFSA-N 331.415 5.150 0 50 EKAA CCCC[C@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 2350935 PCESVUMMJXHDBT-IFXJQAMLSA-N 344.480 5.164 0 50 EKAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 2842884 GPPXLMFXTPOOLR-KRWDZBQOSA-N 347.483 5.781 0 50 EKAA CC(C)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 2848354 AFNVXNPYKFXKEL-UHFFFAOYSA-N 329.443 5.404 0 50 EKAA Cc1ccc(C2=NN(c3ccc(C=O)cc3)[C@H](c3ccccc3)C2)cc1 4088207 UOQNRDFUPLYMMC-QHCPKHFHSA-N 340.426 5.163 0 50 EKAA Cc1nn2c(-c3cccs3)ccnc2c1-c1cccc(Cl)c1 71384758 OPUYRUOTZKHJHK-UHFFFAOYSA-N 325.824 5.087 0 50 EKAA CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(F)cc3)C2=C(O)C1 100629415 SJHCFPJVXJBCDQ-FQEVSTJZSA-N 336.410 5.697 0 50 EKAA Cc1ccc(Sc2ccc3c(c2)Oc2ccccc2NC3=O)cc1 33821 MFZOKOKGBKZBPP-UHFFFAOYSA-N 333.412 5.504 0 50 EKAA COc1ccc(-n2c(-c3ccccc3)nc(=S)c3c2CCCC3)cc1 46580 MYSZXLKPBZANPW-UHFFFAOYSA-N 348.471 5.156 0 50 EKAA Cc1c(NC(=O)c2ccco2)cccc1-c1nc2ccccc2s1 262931 KZTDJQDUIGHHQS-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA O=C(Nc1ccccc1F)[C@@H](Sc1ccccc1)c1ccccc1 441454 VSGIEMXHKYOKHF-IBGZPJMESA-N 337.419 5.298 0 50 EKAA Clc1cccc(Cl)c1COCc1c(Cl)cccc1Cl 2170329 ITFCEERPJPLHPQ-UHFFFAOYSA-N 336.045 6.017 0 50 EKAA O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1 2549315 KLZCBMQXAOTSSC-MDWZMJQESA-N 335.353 5.284 0 50 EKAA Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1 12376974 SHPKCCVIJLYQFA-UHFFFAOYSA-N 329.321 5.747 0 50 EKAA CC(C)[C@@H]1CC[C@@H]2C[C@@H]3[C@@H](C[C@@H]12)C(=O)[C@]12CC[C@@H](C)[C@@H]1CC[C@@]32C 71786336 IDKZLVVDDCTAHM-FPWIZDNFSA-N 328.540 5.726 0 50 EKAA C[Si](C)(C)[C@H](c1ccccc1)n1c2ccccc2c2ccccc21 195798083 DQKNMEGNSUBSAY-JOCHJYFZSA-N 329.519 6.261 0 50 EKAA O=c1oc2cc3occ(-c4ccc(Cl)cc4)c3cc2c2c1CCC2 95219 RFZLQZQWAHMOII-UHFFFAOYSA-N 336.774 5.348 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(C)C)c(C)c1 145223 CJXGFNHUMRQPLP-UHFFFAOYSA-N 331.843 5.098 0 50 EKAA Cc1cc(C)cc(NC(=O)c2ccc(COc3cccc(C)c3)cc2)c1 4833151 BKHOHQTYCKWXEO-UHFFFAOYSA-N 345.442 5.443 0 50 EKAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(C3CCCCCC3)C2)cc1 11911979 KSKMDKKFUIKZGS-KRWDZBQOSA-N 341.474 5.118 0 50 EKAA CC[C@@H](NC(=O)Nc1ccc(C)c(F)c1)C12CC3CC(CC(C3)C1)C2 13320287 KLTLEARHVXFVBC-KXDMBUCYSA-N 344.474 5.251 0 50 EKAA CC(C)N[C@@H](C)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 222295735 TVHVXNWQYKOPHP-PWVCALLWSA-N 331.931 5.565 0 50 EKAA Clc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1 514253129 FDTRHTNHPKRWFG-UHFFFAOYSA-N 342.829 6.131 0 50 EKAA O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccccc1Cl 116615 HAOJCJREQXZAOA-UHFFFAOYSA-N 337.806 5.025 0 50 EKAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F 307624 UYGXBCDOYNORDI-UHFFFAOYSA-N 348.151 5.193 0 50 EKAA O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 460304 VPZYHPZXRVINMO-UHFFFAOYSA-N 349.044 5.230 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3Cl)sc2c1 474153 IEQAOEFCPPAWNP-UHFFFAOYSA-N 336.243 5.769 0 50 EKAA Cc1cc(C)cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 496734 OGIQGXRNFRKCNT-UHFFFAOYSA-N 327.733 5.228 0 50 EKAA Clc1cccc(OCCCn2c3ccccc3c3ccccc32)c1 2992946 GXXKSXAYPKXUJM-UHFFFAOYSA-N 335.834 5.917 0 50 EKAA COc1ccccc1[C@@H](CCN[C@H](C)c1ccccc1)c1ccco1 4064119 BNUYZJKEVMDDRI-YLJYHZDGSA-N 335.447 5.161 0 50 EKAA biogenic S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCCCCC1 467844 LVEFSULZQJUCEF-UHFFFAOYSA-N 340.492 5.488 0 50 EKAA CCc1ccc(OCCCC(=O)Nc2cccc3ccccc23)cc1 1773470 IIORQDLVZNALAH-UHFFFAOYSA-N 333.431 5.200 0 50 EKAA CCCN(CCC)CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2828908 KSAJFIJJDQAVCL-UHFFFAOYSA-N 347.543 5.292 0 50 EKAA CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 2989056 OMBHCQHRBNHNPX-UHFFFAOYSA-N 338.234 5.425 0 50 EKAA Cc1cc(OCCCn2c3ccccc3c3ccccc32)ccc1Cl 2992955 IJCHEAJVGWNSEZ-UHFFFAOYSA-N 349.861 6.225 0 50 EKAA CCCC[C@@](Sc1ccccc1)(C(C)C)n1nnc2ccccc21 5309844 ZTPCJSCOTLEDBX-HXUWFJFHSA-N 339.508 5.723 0 50 EKAA CCc1nn2c(Nc3ccc(F)cc3)cc(C)nc2c1-c1ccccc1 7636236 QITIXLXGISPYEL-UHFFFAOYSA-N 346.409 5.150 0 50 EKAA CCCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1N 13746956 KKMMSYVFCJXKBO-UHFFFAOYSA-N 343.492 5.612 0 50 EKAA CCOc1ccccc1NC(=S)Nc1ccccc1C(C)(C)C 13794027 BAYZGYFQNNMDBO-UHFFFAOYSA-N 328.481 5.192 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2cccs2)[C@@H]3CCC1 22078027 CXFWBZIYSUWSTE-HXUWFJFHSA-N 336.504 5.295 0 50 EKAA O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 104565 OMJWQKLLCPEDKD-HXUWFJFHSA-N 348.833 5.107 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2F)[C@H]3CCC1 2928786 LTTNRAPNVCUSNZ-QFIPXVFZSA-N 348.465 5.372 0 50 EKAA O=c1oc(-c2cccs2)cc(-c2ccccc2)c1-c1ccccc1 3902385 DCLCIRCBFWLRQD-UHFFFAOYSA-N 330.408 5.702 0 50 EKAA Cc1ccccc1Oc1ncccc1CNc1ccc2ccccc2n1 67770197 RENRTMKDXGYMDX-UHFFFAOYSA-N 341.414 5.343 0 50 EKAA CC1(C)CC2=Nc3ccccc3N[C@H](c3cccc(F)c3)C2=C(O)C1 100629103 XAAORBCETOGSQW-HXUWFJFHSA-N 336.410 5.697 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)C1c2ccccc2Oc2ccccc21 110378 RBPNMBDAXGLMDW-UHFFFAOYSA-N 349.817 5.525 0 50 EKAA O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc2ccccc12 439983 OCTBEHIIVXPPGN-UHFFFAOYSA-N 346.308 5.382 0 50 EKAA O=C(N[C@@H](c1ccccc1)C1CCCC1)c1cccc2ccccc12 1071951 PZMWZYNZSBHKHW-QFIPXVFZSA-N 329.443 5.501 0 50 EKAA CC[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 1201014 MPHNSHSPOFYLON-MRXNPFEDSA-N 340.423 5.082 0 50 EKAA CCCOc1ccccc1[C@H]1CC(=O)Nc2c1ccc1ccccc21 2057295 HTHAHKNMFYOGNS-LJQANCHMSA-N 331.415 5.103 0 50 EKAA Fc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1 3190171 XMXUAPSFOBNOQW-UHFFFAOYSA-N 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13329957 LCUDXJKKAPHGRH-LBPRGKRZSA-N 337.250 5.493 0 50 EKAA Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 396207 UQTSCLRTSKBRST-UHFFFAOYSA-N 330.431 5.229 0 50 EKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 434777 BYVHJUFBBFGYAJ-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2s1 540338 GSMPKHIFWBEPSK-UHFFFAOYSA-N 338.457 5.061 0 50 EKAA CCCCOc1ccccc1NC(=O)COc1ccccc1C(C)C 1777479 RCLFEGVXUHBUKR-UHFFFAOYSA-N 341.451 5.006 0 50 EKAA CCCCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 2479741 WRNNOHFASCUUQX-UHFFFAOYSA-N 343.470 5.800 0 50 EKAA Cc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 3953793 MCBDLXKLBNRZNK-UHFFFAOYSA-N 334.366 5.881 0 50 EKAA O=C1CCCC[C@@H]1[C@H](Nc1ccc2ncccc2c1)c1ccc(F)cc1 4006131 SBGHKGVVQISYCE-SIKLNZKXSA-N 348.421 5.286 0 50 EKAA Cc1ccc2c(c1)[C@@H](n1c3ccccc3c3ccccc31)CCN2C 5330997 DEMZZNUJTFBNMO-QHCPKHFHSA-N 326.443 5.532 0 50 EKAA Fc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(C4CC4)nc32)cc1 20615045 AWZYHDWBEZJOSB-UHFFFAOYSA-N 343.352 5.252 0 50 EKAA Oc1ccc(-c2csc(-c3cc(-c4ccccc4)ccn3)n2)cc1 98071614 WUVWQBLFCJPOME-UHFFFAOYSA-N 330.412 5.245 0 50 EKAA CCc1cccc(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 460909 DZENZPJVPLYHFX-UHFFFAOYSA-N 331.843 5.007 0 50 EKAA Cc1oc(-c2cccc(F)c2)nc1CN(C)[C@H](C)c1cccs1 11843355 UOOHSJCKYCBXDT-GFCCVEGCSA-N 330.428 5.044 0 50 EKAA Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)c1 36620367 CAZSLUPHYKDNHP-GOSISDBHSA-N 328.843 5.326 0 50 EKAA CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ccccc13)O2 47458 CQTRKDFIQFOAQV-QFIPXVFZSA-N 328.415 5.058 0 50 EKAA aggregator,in-vitro Cc1cccc(C)c1NC(=S)Nc1ccc(Cl)c(Cl)c1 13496978 DXMOCWRWXPCGHL-UHFFFAOYSA-N 325.264 5.419 0 50 EKAA Cc1ccc2cccc(Oc3ncnc4sc5c(c34)CCCC5)c2n1 87433 UZHIVNJSHWVOBC-UHFFFAOYSA-N 347.443 5.219 0 50 EKAA CCOc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 361009 RGTWDRGJPGDVII-UHFFFAOYSA-N 331.371 5.237 0 50 EKAA CCc1cccc(CC)c1NC(=O)Nc1cc(Cl)ccc1Cl 398127 SBAUGDQCGLTGCN-UHFFFAOYSA-N 337.250 5.762 0 50 EKAA COc1cc2c(cc1NC(=O)/C=C/c1ccccc1)oc1ccccc12 442902 MQQMPGRYRICIDF-VAWYXSNFSA-N 343.382 5.247 0 50 EKAA aggregator O=C(Nc1ccccc1N1CCCCC1)c1cc(Cl)ccc1Cl 463020 QYIGSAZMJURIJA-UHFFFAOYSA-N 349.261 5.236 0 50 EKAA O=C(Oc1ccccc1)c1ccc(COc2cccc3ccccc23)o1 468018 FTGMHMJTLISOQV-UHFFFAOYSA-N 344.366 5.231 0 50 EKAA CCc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1 474762 OFTRXROWACPDLM-MDZDMXLPSA-N 340.473 5.086 0 50 EKAA Cc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1C 1051277 AMQKCJCIRWFKQM-QFIPXVFZSA-N 341.454 5.248 0 50 EKAA O=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1 2519525 ZATDFOJEWDCNEZ-UHFFFAOYSA-N 348.448 5.425 0 50 EKAA O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 4821012 PLWNESCSLWKMPC-UHFFFAOYSA-N 337.806 5.171 0 50 EKAA C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)c1ccc(C(C)(C)C)cc1 20551130 LYEAFVQKPCOUNN-GFCCVEGCSA-N 348.849 5.659 0 50 EKAA CC(C)C[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN12 25582778 LCHSWDMQWYVJNC-CRAIPNDOSA-N 346.883 5.317 0 50 EKAA Cc1cc(C)c(CSc2ccccc2)c(-c2ccc(F)c(C)c2)c1 44123181 ZKCYSNPAJJGTIY-UHFFFAOYSA-N 336.475 6.710 0 50 EKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@@H](c3cc(F)c(F)c(F)c3)CC2)CC1 1857777577 FEWMLRARKGRCCE-KGASUQACSA-N 338.457 6.984 0 50 EKAA O=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)c(Cl)c1 341757 BEMFDFGHBPHNFO-UHFFFAOYSA-N 346.213 5.164 0 50 EKAA CCCc1nc(-c2nc(O)c3c(C4CCCCC4)csc3n2)co1 685189930 PWZUSRBFECRAQH-UHFFFAOYSA-N 343.452 5.052 0 50 EKAA Cc1cc2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2cc1C 617154 ZDEKJJMFHZZLPR-UHFFFAOYSA-N 347.336 5.629 0 50 EKAA O=C(Nc1ccccc1F)Nc1c(Cl)cc(Cl)cc1Cl 2889964 ULZFSRMNAFDVCQ-UHFFFAOYSA-N 333.577 5.430 0 50 EKAA CCc1cc2c(C(C)=O)cc1CCCCc1ccc(cc1)CCCC2 4787916 PNAWTMCTZUNIBS-UHFFFAOYSA-N 334.503 5.896 0 50 EKAA COc1ccc(N2N=C(c3ccc(C)cc3)C[C@H]2c2cccs2)cc1 5059072 NWVLFGNAXMUFOU-FQEVSTJZSA-N 348.471 5.421 0 50 EKAA COc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)c1 15866963 NHTSRFWWIFRBKA-QGZVFWFLSA-N 344.480 5.214 0 50 EKAA CCc1cccc(CC)c1NC(=O)Nc1c(Cl)cccc1Cl 398154 HDJVKOZSCGUQFH-UHFFFAOYSA-N 337.250 5.762 0 50 EKAA Cc1ccccc1NC(=O)CSc1ccc(Cl)cc1Cl 443430 BVOMCUICTINAON-UHFFFAOYSA-N 326.248 5.033 0 50 EKAA Cc1cccc(F)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 476763 RIUYKNIMTLGBOS-IAGOWNOFSA-N 325.427 5.174 0 50 EKAA Cc1cc(OC/C=C/c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 1797643 XSDZWUCTMPIFSA-JXMROGBWSA-N 346.426 5.072 0 50 EKAA biogenic Clc1ccc(-c2csc3ncnc(N4CCCCCC4)c23)cc1 1898814 YXUBJORPHDAPIJ-UHFFFAOYSA-N 343.883 5.392 0 50 EKAA Cc1nnc(SCc2ccccc2Cl)c2cc3sccc3n12 6893860 NCHOUCRBVQNWFF-UHFFFAOYSA-N 345.880 5.198 0 50 EKAA C[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H]1C 13320460 LVOWNOMWHJFPAW-BREBYQMCSA-N 348.796 5.305 0 50 EKAA Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)c1 13329955 LCUDXJKKAPHGRH-GFCCVEGCSA-N 337.250 5.493 0 50 EKAA COC(=O)CCCCCCCCCCCCCCCCCC(=O)O 39248690 FFKBIYWNBSOIEB-UHFFFAOYSA-N 342.520 5.876 0 50 EKAA N#CCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 142702494 JWCPHNMWSQPBEK-UHFFFAOYSA-N 329.243 5.457 0 50 EKAA Clc1cc(Br)c2oc3c(NC4CC4)cccc3c2c1 1772715903 XIKOIGLFDWCPPJ-UHFFFAOYSA-N 336.616 5.576 0 50 EKAA c1ccc(Cc2ccc(OCCCn3cnc4ccccc43)cc2)cc1 2868297 IXUGUMYHFGQBGT-UHFFFAOYSA-N 342.442 5.096 0 50 EKAA Cc1ccc2cccc(OCCCCOc3ccc(Cl)cc3)c2n1 3000537 BXRAFZMNPMLERB-UHFFFAOYSA-N 341.838 5.435 0 50 EKAA Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4118742 NIPKXTKKYSKEON-UHFFFAOYSA-N 336.434 5.775 0 50 EKAA in-vitro COc1ccc(Br)cc1/C=C/c1ccc2ccccc2n1 4998914 BZGXAUITAHBYIV-JXMROGBWSA-N 340.220 5.176 0 50 EKAA Cc1ccc(C(C)(C)C[C@@H](C)N2CCC3(C=Cc4ccccc43)CC2)o1 22077796 ZKBWIKUEQCOEEZ-GOSISDBHSA-N 349.518 5.705 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1Cl 36620628 BAQJLMAMTMZAEY-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA CC(C)(CCOCc1ccccc1)Nc1ccc(Br)cc1 257373361 YBBQTPDKDCKTPG-UHFFFAOYSA-N 348.284 5.247 0 50 EKAA C[C@@H](CCc1ccco1)N[C@@H](C)c1ccc(Cl)c2ccccc12 2325870201 MUJIVWNKZVLVEY-GJZGRUSLSA-N 327.855 5.758 0 50 EKAA CC(C)=CCCC1=CC[C@H](COC(=O)Nc2ccccc2)[C@@H](C)C1 210998 XYVMZXFVHJLCOA-PKOBYXMFSA-N 327.468 5.954 0 50 EKAA biogenic CC[C@@H](C)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 505752 GCVNUTQPMWRXBI-OAHLLOKOSA-N 325.452 5.143 0 50 EKAA O=C(O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 4290271 AECGEIVNZGQBJT-UHFFFAOYSA-N 348.467 5.186 0 50 EKAA in-vitro c1ccc2cc(-c3cn[nH]c3C3CCN(C4CCCC4)CC3)ccc2c1 19595694 GHDBFQDLMHUCAF-UHFFFAOYSA-N 345.490 5.352 0 50 EKAA CCC(=O)[C@@H]1[C@H](OC)C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257345545 APPBLCHOWOIYLW-WKCPKMRMSA-N 346.555 5.639 0 50 EKAA Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)CC1CCCCC1 2325842381 WQLUDVUQESSQMC-WIYYLYMNSA-N 329.528 5.805 0 50 EKAA CCCC1CCC(c2nc(-c3ccc(OC(F)F)cc3)no2)CC1 190508 FMBTZLSMMUKLRI-UHFFFAOYSA-N 336.382 5.412 0 50 EKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1C[C@@H]1c1ccccc1 475970 NPSUQUAIQNLIEB-OLZOCXBDSA-N 339.744 5.101 0 50 EKAA COc1cc2c(cc1NC(=O)Nc1ccc(C)cc1)oc1ccccc12 5541594 NHUFMLBHTYMPIW-UHFFFAOYSA-N 346.386 5.547 0 50 EKAA aggregator O=C(Nc1ccc2ccccc2c1)Nc1ccccc1SC(F)F 22016148 JOBASLDGZODTNU-UHFFFAOYSA-N 344.386 5.799 0 50 EKAA c1ccc(-c2ccc(CN3CCCC[C@@H]3c3cccnc3)cc2)cc1 22023276 MOWJGJZAVBWWCR-HSZRJFAPSA-N 328.459 5.476 0 50 EKAA Fc1c(COc2ccc(Br)cc2)cccc1C(F)(F)F 86014417 TZBDPTKXZKUYEQ-UHFFFAOYSA-N 349.121 5.186 0 50 EKAA Fc1cccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1 309671 ZBFYLXGGZMPDTR-UHFFFAOYSA-N 326.421 5.673 0 50 EKAA Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1 458288 JWAPCDXGEMBKON-UHFFFAOYSA-N 348.151 5.573 0 50 EKAA Cc1ccc(-c2nc3ccccc3c(C(=O)N3CCCCC3)c2C)cc1 461464 FEHFUWQKQXKADN-UHFFFAOYSA-N 344.458 5.145 0 50 EKAA Cc1oc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1ccccc1 613410 UCEFDPKQRRQWOA-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA CCc1cc(C)cc(OCC(=O)Nc2ccccc2-c2ccccc2)c1 614263 ZWKXEIWNRCTWON-UHFFFAOYSA-N 345.442 5.242 0 50 EKAA Cc1ccc2c(CC(=O)Nc3cccc(Cl)c3Cl)coc2c1C 1050753 KJCKJDLSEFAQQH-UHFFFAOYSA-N 348.229 5.538 0 50 EKAA CCCCOc1ccccc1NC(=O)c1ccc(Cl)cc1Cl 1777430 ASWAQVHGDOZIBN-UHFFFAOYSA-N 338.234 5.425 0 50 EKAA Cc1oc2c(c(C)cc3oc(=O)c4c(c32)CCCC4)c1-c1ccccc1 2101811 MQOAOPZDGAUPJQ-UHFFFAOYSA-N 344.410 5.702 0 50 EKAA biogenic Cc1cc(Nc2ccc(C)c(Cl)c2)n2ncc(-c3ccccc3)c2n1 5533308 CMHWVQYCMJCNEL-UHFFFAOYSA-N 348.837 5.410 0 50 EKAA Cc1c([C@H](C)NCc2ccccc2)cnn1-c1cccc2ccccc12 12386988 OQJWRTPMUGOCGE-KRWDZBQOSA-N 341.458 5.185 0 50 EKAA c1cc2ccc1CCCCCCC1CCC(CCCCCC2)CC1 71782881 BIDLJWBYRLNEDJ-UHFFFAOYSA-N 326.568 7.493 0 50 EKAA O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1Cl 103443 GKOLGZUQWDJPHP-UHFFFAOYSA-N 347.805 5.136 0 50 EKAA O=C(NC1CCCCC1)c1ccccc1SCc1ccc(F)cc1 133991 DAWDEDOSDQUMFY-UHFFFAOYSA-N 343.467 5.181 0 50 EKAA COc1ccc(-c2nc(=S)c3c(n2-c2ccccc2)CCCC3)cc1 146726 MPBUFUZZWKCXJE-UHFFFAOYSA-N 348.471 5.156 0 50 EKAA Cc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 348225 VARATSCMFJTENZ-UHFFFAOYSA-N 329.447 5.109 0 50 EKAA CN(Cc1ccccc1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 455891 QLRFEVYOIPWCFB-OAQYLSRUSA-N 347.483 5.179 0 50 EKAA CC(C)(C)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1 2058408 HLHMSXKYPKYFAW-UHFFFAOYSA-N 347.245 6.008 0 50 EKAA CC(C)Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2268290 LFDBHKLCQHKAFX-UHFFFAOYSA-N 332.234 5.424 0 50 EKAA CC(C)(C)c1ccc(OCCCOc2cccc3cccnc23)cc1 2985325 MVLXUUCXYNUGMN-UHFFFAOYSA-N 335.447 5.380 0 50 EKAA COc1ccc(CN2CCC(Cc3ccccc3)CC2)c2ccccc12 4987793 QMPILHRFUIXXNY-UHFFFAOYSA-N 345.486 5.303 0 50 EKAA C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320452 JBBWYIAVZACJNU-CABZTGNLSA-N 334.769 5.059 0 50 EKAA O=C(Nc1ccc(Cl)c(C(F)F)c1)[C@@H]1C[C@H]1Cc1ccccc1 1875362538 JFCZVXZUUVFQAJ-TZMCWYRMSA-N 335.781 5.095 0 50 EKAA CN(C(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1 337736 OYKNBHZJGOUHBD-HXUWFJFHSA-N 333.456 5.183 0 50 EKAA COc1ccc(Cl)cc1NC(=O)Oc1ccc2ccccc2c1 399741 UOUGPZPJNRRADQ-UHFFFAOYSA-N 327.767 5.113 0 50 EKAA Clc1ccc(Cl)c(-c2nc(-c3ccccc3Cl)no2)c1 564289 MLFHARBNRRJHRG-UHFFFAOYSA-N 325.582 5.364 0 50 EKAA CCc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 1194987 QYTXXFYVYBVPCX-RTWAWAEBSA-N 334.459 5.365 0 50 EKAA O=C(O)c1cc(-c2ccc3ccccc3c2)nc2ccc(Cl)cc12 2525912 PJJJORRSHPORHO-UHFFFAOYSA-N 333.774 5.407 0 50 EKAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2)C1 5916787 OVSLLNQOOQSFIV-CYBMUJFWSA-N 342.508 5.124 0 50 EKAA COc1ccccc1-c1ccnc2c(-c3cccc(Cl)c3)c(C)nn12 71375706 SWQDRNGALAFCAF-UHFFFAOYSA-N 349.821 5.034 0 50 EKAA O=C(Nc1ccc(F)cc1)Oc1ccc(OCc2ccccc2)cc1 399803 XYUDDOIIYRPZLT-UHFFFAOYSA-N 337.350 5.016 0 50 EKAA COc1ccc(-c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1 435719 IZYCTFPVFKKIHS-UHFFFAOYSA-N 342.398 5.388 0 50 EKAA CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 445684 VHCQCTZBGYSMER-UHFFFAOYSA-N 344.625 5.298 0 50 EKAA CC(C)(C)c1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1 1774686 WKUYWAOAKIOTSK-UHFFFAOYSA-N 331.463 5.195 0 50 EKAA CC(C)Cc1ccc(/C=C/C(=O)NCc2cccc3ccccc23)cc1 2576755 DPLXRRNPJDDDRV-CCEZHUSRSA-N 343.470 5.368 0 50 EKAA COc1ccc2ccc(OCc3ccccc3)c(Br)c2c1 261507400 IBWGBDGTRDQCGD-UHFFFAOYSA-N 343.220 5.190 0 50 EKAA CCC[C@@H](OC)c1nc(C2CCCCC2)nn1-c1ccc(Cl)cc1 1875348205 JDLDFLXKTNGUFU-QGZVFWFLSA-N 347.890 5.456 0 50 EKAA Cc1cc(C)c(-c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c(C)c1 1875354277 SPTUVKFBBFQOBJ-UHFFFAOYSA-N 346.426 5.556 0 50 EKAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccco1 66468 CACMZVNTGWRLED-UHFFFAOYSA-N 346.411 5.322 0 50 EKAA C[C@@H]1CCCC[C@@H]1OC(=O)Nc1cc(Cl)c(Cl)cc1Cl 396467 SBXJSFVTLBQWFA-OQPBUACISA-N 336.646 5.774 0 50 EKAA Cc1cc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)ccc1Cl 454696 GBOBRTWJRJQALR-FQEVSTJZSA-N 348.833 5.420 0 50 EKAA CCOc1ccc2c(=O)c(Oc3c(F)cccc3Cl)c(C)oc2c1 2836427 FEXCKDJTWSVWQM-UHFFFAOYSA-N 348.757 5.085 0 50 EKAA O=C(Nc1ccc(Cl)cc1)N1CCCCC[C@@H]1c1cccs1 15866977 MNOYFIHUEULWSY-OAHLLOKOSA-N 334.872 5.551 0 50 EKAA CCC(CC)c1nc(Nc2cccc(C(C)=O)c2)c2ccccc2n1 122277 LVGFUQQKJNSKPM-UHFFFAOYSA-N 333.435 5.480 0 50 EKAA biogenic,in-vitro O=C(Nc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 129392 JCJDNKWLJSANHI-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Cc1nc(C)c(Cl)c(Oc2ccc(Br)cc2)c1Cl 407501 VTBHOWFFSPQBJS-UHFFFAOYSA-N 347.039 5.560 0 50 EKAA C/C=C/C(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 445589 HCJZPCSHQDQJNF-QPJJXVBHSA-N 333.503 5.364 0 50 EKAA Cc1cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)oc2cc1C 452326 ILMAWZFYCVZTSB-UHFFFAOYSA-N 342.826 5.360 0 50 EKAA C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1 567028 MIEGUAZIGCNTET-INIZCTEOSA-N 326.399 5.437 0 50 EKAA Cc1ccccc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1773492 VQJSNPKBVRIYNQ-UHFFFAOYSA-N 325.452 5.090 0 50 EKAA COc1cc(C)ccc1OCCCCOc1cccc(C(C)C)c1 2987068 IYPHHJZYOGAWOZ-UHFFFAOYSA-N 328.452 5.365 0 50 EKAA CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 4915112 MSRGZWOXCICCJO-VFNWGFHPSA-N 345.442 5.491 0 50 EKAA CCCOc1ccc(/N=c2\cc(C)[nH]c3ccc(Cl)cc23)cc1 5853247 NABHXIRXYQEKFK-UHFFFAOYSA-N 326.827 5.151 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1Cl 64984610 JFNXQAWBZXKKGN-MRXNPFEDSA-N 347.846 5.129 0 50 EKAA CCCSc1ccccc1NC(=O)N1CCC[C@H]1c1nccs1 95510492 DQGOXPNGQUKDIU-AWEZNQCLSA-N 347.509 5.014 0 50 EKAA O=C(Nc1ccccc1-c1ccccc1)Nc1cccc2[nH]ccc12 202584643 HALPOAFLCWHBSR-UHFFFAOYSA-N 327.387 5.479 0 50 EKAA Cc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1 369316 WRRHRDFZZDRTMJ-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1c(NC(=O)/C=C/c2ccco2)cccc1-c1nc2ccccc2o1 444382 AYLZEQUTVUIMTD-VAWYXSNFSA-N 344.370 5.048 0 50 EKAA CC[C@@H](C)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 2774463 XSJNOLJQAWNWHB-QGZVFWFLSA-N 329.443 6.119 0 50 EKAA Cc1cc(OCc2c(F)cccc2Cl)c2c(C)c(C)c(=O)oc2c1 2811828 RUUSIKVVONLJJP-UHFFFAOYSA-N 346.785 5.090 0 50 EKAA Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)cc1 15867016 YUGYDTUJPZZVGN-KRWDZBQOSA-N 328.481 5.514 0 50 EKAA CC(C)c1cccc(C(C)C)c1OCc1cccc(Br)c1 43162850 PUEUTEXVWCKLIM-UHFFFAOYSA-N 347.296 6.275 0 50 EKAA Cc1cc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)nc2cc(Cl)ccc12 214893528 QKFQSLYTBAFQJG-QRWLVFNGSA-N 328.887 5.602 0 50 EKAA CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C)cc3)cc2)CC1 245189283 LPRUNJSIQXHMQG-WGSAOQKQSA-N 336.475 6.288 0 50 EKAA Cc1ccc2c(-c3ccccc3)nc(Nc3ccc(C)c(C)c3)nc2c1 408525685 RTFMJIAWKPCHID-UHFFFAOYSA-N 339.442 5.966 0 50 EKAA CCC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Oc2ccccc2)cc1 2325822116 DZAYNALMBBVIFU-JTSKRJEESA-N 334.463 5.999 0 50 EKAA O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 104560 OMJWQKLLCPEDKD-FQEVSTJZSA-N 348.833 5.107 0 50 EKAA Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)o1 483358 PYSAEHDDYHTQTC-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA CC1=C[C@H](C)[C@@H]([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2C)CC1 1088387 QSUPTRRWODEWFH-NPPFBWRTSA-N 346.474 5.386 0 50 EKAA Clc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1 1813572 QEWIAPAXIIPIRC-UHFFFAOYSA-N 332.790 5.724 0 50 EKAA Cc1cc2c(cc1C1(C)OCC(C)(C)CO1)C(C)(C)C[C@H](C)C2(C)C 3122391 FEEQBABXQZXDBW-INIZCTEOSA-N 344.539 5.836 0 50 EKAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCC(C)CC1 5531671 NKNOLKZIFNZAJI-UHFFFAOYSA-N 349.474 5.649 0 50 EKAA C[C@H]1C[C@@H](C)CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1 12465783 LJXKTONKXSUFPQ-CALCHBBNSA-N 344.458 5.020 0 50 EKAA Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1C 36620694 VQMKAIKDIHZICU-SFHVURJKSA-N 328.843 5.326 0 50 EKAA COc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(C)cc1 64984741 WQVOPQKSQYHAJA-IBGZPJMESA-N 338.451 5.153 0 50 EKAA O=C(Nc1cccc(Cl)c1)C1[C@H]2CCC=CCCC=CCC[C@H]12 252640070 YQNTWNOXMQOVET-ADUPEVMXSA-N 329.871 5.607 0 50 EKAA Cc1ccc(CN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C2CC2)s1 825550539 AFXIQPJMRFWMCK-CYBMUJFWSA-N 348.899 5.145 0 50 EKAA Cc1ccc(-c2ccc(OCc3ccc(C(=O)O)cc3)cc2C)c(C)c1 1875389365 MHAHJDOZKPDPME-UHFFFAOYSA-N 346.426 5.556 0 50 EKAA CN1CCC[C@@H](NCc2ccc(-c3ccccc3)o2)c2ccccc21 2325878203 HXEFGIOECXBTLJ-HXUWFJFHSA-N 332.447 5.008 0 50 EKAA Cc1cc(C(c2ccc(O)c(C)c2)C(Cl)(Cl)Cl)ccc1O 50339 GEUDCOBJAHITPB-UHFFFAOYSA-N 345.653 5.217 0 50 EKAA Cc1c(NC(=O)Nc2ccc(Cl)cc2Cl)sc(=S)n1C 171099 JXSRVKAZALQYJH-UHFFFAOYSA-N 348.280 5.075 0 50 EKAA Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccc2)no1 2832837 WAMKRZBYPLIMCV-UHFFFAOYSA-N 337.766 5.020 0 50 EKAA Cc1ccc2ccccc2c1COc1ccc2c(C)c(C)c(=O)oc2c1 2960626 CEIZQPITRDRFDV-UHFFFAOYSA-N 344.410 5.450 0 50 EKAA COc1cccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)c1 225782748 NLRXAWYVQVXJCU-UHFFFAOYSA-N 345.829 6.231 0 50 EKAA Cc1ccc2nc(-c3ccc(NC(=O)c4ccoc4C)cc3)sc2c1 375503 CMHCGJRBXCORJY-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA O=C(c1ccc(CCc2ccccc2)cc1)c1cccc2ccccc12 2556917 CFQMRXPGNSGVOV-UHFFFAOYSA-N 336.434 5.856 0 50 EKAA Clc1ccc(CSc2nc3ccccc3s2)c(Cl)c1 2689296 LKBFSNBBNXEKSC-UHFFFAOYSA-N 326.273 5.895 0 50 EKAA CCCCCn1c(C(=O)c2cccc3ccccc23)nc2ccccc21 96024612 ZJWSSWFQIOEVCU-UHFFFAOYSA-N 342.442 5.611 0 50 EKAA in-vitro Cc1cc(C)c(O)c(NC(=O)c2cc(C)c(-c3ccccc3)s2)c1 1875336098 RXKZDOYWJMNPSB-UHFFFAOYSA-N 337.444 5.298 0 50 EKAA O=C(C[C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@H](CC2CCCC2)C1 2325817652 JOHGMZQIHXWBHS-ANULTFPQSA-N 331.544 5.412 0 50 EKAA CCc1cccc(C)c1NC(=O)c1ccc(-c2ccccc2Cl)o1 4542194 ZRZCWLLLILAUDJ-UHFFFAOYSA-N 339.822 5.723 0 50 EKAA O=C(N1CCC[C@H]1c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 36620521 RUQBAUHFCRABTR-IXYLRAAXSA-N 343.898 5.220 0 50 EKAA Cc1cc(NC(=O)c2csc(C3CCCCC3)c2)c(C)c(C)c1O 2325839998 LHCRBKJWUDRWJW-UHFFFAOYSA-N 343.492 5.679 0 50 EKAA c1csc(-c2csc(-c3nc(-c4cccs4)cs3)n2)c1 271615 GRQIKFZTUVPQDQ-UHFFFAOYSA-N 332.500 5.724 0 50 EKAA CCOc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 309821 GNFVSTDCLLGARC-UHFFFAOYSA-N 343.732 5.010 0 50 EKAA Cc1ccc(C)c(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 1231125 BTXCKOBJSIDBNO-OAQYLSRUSA-N 341.454 5.248 0 50 EKAA O=c1cc(-c2ccccc2)oc2ccc(OCc3ccccc3)cc12 1977928 QGEZHHKBBMWQMC-UHFFFAOYSA-N 328.367 5.039 0 50 EKAA Cn1cc(C(c2ccco2)c2cn(C)c3ccccc23)c2ccccc21 4151550 GBMCVPPDGOYIJU-UHFFFAOYSA-N 340.426 5.443 0 50 EKAA CCCc1ccc([C@H](C)NC(=S)Nc2ccccc2OCC)cc1 13751364 WSICBTBGZISILE-HNNXBMFYSA-N 342.508 5.085 0 50 EKAA Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccco2)cc1 15076361 VNKWAPDRBOXSLC-JOCHJYFZSA-N 346.405 5.048 0 50 EKAA O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 374371 HVMXZGIQRXDUIE-LSDHHAIUSA-N 339.744 5.101 0 50 EKAA O[C@@H](/C=C/c1ccccc1)c1c(C(F)(F)F)cccc1C(F)(F)F 2165506 SUSGERCQQDQHEJ-HBWSCVEGSA-N 346.270 5.471 0 50 EKAA CCn1c2ccccc2c2cc(CNc3ccccc3SC)ccc21 2498856 JENVAFDZESDVGS-UHFFFAOYSA-N 346.499 6.148 0 50 EKAA CCCCCC[C@@H](C/C=C/CCCCCCCC(=O)OC)C(C)=O 4577734 QWHOFHWIXLHASS-IXDOJHRFSA-N 338.532 6.012 0 50 EKAA CCOc1ccc(Cc2cc(Br)ccc2Cl)cc1 34781172 ZUNCHZBITMUSRD-UHFFFAOYSA-N 325.633 5.092 0 50 EKAA in-vitro Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c(Cl)c1 36620900 VDOHAYXPZDOAOZ-QGZVFWFLSA-N 332.806 5.157 0 50 EKAA c1ccc2c(c1)-c1ccccc1C2C1(N2CCCCC2)CCCCC1 96026711 PPAJNYZRTYILBW-UHFFFAOYSA-N 331.503 5.988 0 50 EKAA CC(C)(C)C1=C[C@H](NC2CCCCC2)n2c(nc3ccccc32)S1 675009439 IAMHSBQNFHXBQB-GOSISDBHSA-N 341.524 5.493 0 50 EKAA C[C@@H]1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1 132480 CDJDNJYXUJBYJD-SECBINFHSA-N 347.846 5.352 0 50 EKAA O=C(c1ccc(Br)o1)N(c1ccccc1)c1ccccc1 290591 GFJKZHODYKTUDL-UHFFFAOYSA-N 342.192 5.021 0 50 EKAA Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)C(C)C)c3ccc(C)cc32)cc1 292637 HLXQKZHSDMFLFU-FXAWDEMLSA-N 336.479 5.238 0 50 EKAA O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 4541806 QQZMKWMLFUHVSM-UHFFFAOYSA-N 343.785 5.310 0 50 EKAA CC(C)CCCCCCCCCCCCCCCCCC(=O)O 4557038 BDGYZTCVQAZQFG-UHFFFAOYSA-N 326.565 7.359 0 50 EKAA biogenic CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(Cl)cc3)c2c1 6418368 IYVQVYZTKQKBAS-UHFFFAOYSA-N 340.810 5.117 0 50 EKAA O=C(Nc1cccc(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 17068467 KJIBDUUIRRAAQS-UHFFFAOYSA-N 332.684 5.142 0 50 EKAA CC(C)(C)CCSc1ncc(-c2cccc(Br)c2)[nH]1 1875355603 ALPOBSPJZACLAR-UHFFFAOYSA-N 339.302 5.368 0 50 EKAA CSc1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2C)cc1 399710 YYVZYAAQTLXJII-UHFFFAOYSA-N 341.263 5.668 0 50 EKAA Clc1ccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)cc1 471464 ICMDREZQWXCYNN-UHFFFAOYSA-N 325.582 5.364 0 50 EKAA O=C(/C=C/c1cccs1)Nc1cc(Cl)c(Cl)cc1Cl 473931 FRBHRXFOEHSJSR-ONEGZZNKSA-N 332.639 5.360 0 50 EKAA CCOc1ccc2c(c1)C(=O)CC[C@@H]2c1ccc(Cl)c(Cl)c1 859776 PUEAGHXEYGPJTP-CYBMUJFWSA-N 335.230 5.501 0 50 EKAA Cc1ccc(C(C)C)c(OCCNC(=O)c2cccc3ccccc23)c1 2345829 OOVBFJACXKGXQN-UHFFFAOYSA-N 347.458 5.080 0 50 EKAA O=C(c1csc(-c2ccccc2)c1-c1ccccc1)N1CCCCC1 4844869 JHZSXHCCAJTCNV-UHFFFAOYSA-N 347.483 5.708 0 50 EKAA CCCCC[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320426 JIHQXBVVTYOYID-JTQLQIEISA-N 336.785 5.449 0 50 EKAA CC(C)(C)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 257346365 YUQRKSFLRITHTG-AXKUPRLYSA-N 346.555 5.782 0 50 EKAA O=C1[C@H](c2ccccc2)[C@H]2C[C@@H](C3=C2[C@H]2CC[C@H]3C2)[C@H]1c1ccccc1 257356726 JXXDAMMWELRUGQ-KHTMQFLISA-N 340.466 5.499 0 50 EKAA C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CC[C@@H]2C[C@]12CS2 1772492705 YQPXGHUOOLIGIF-FIOWKPTNSA-N 348.596 5.512 0 50 EKAA Cc1ccc(NC(=O)CSCc2ccccc2Cl)cc1Cl 59123 JAWUEOVQCLMXTF-UHFFFAOYSA-N 340.275 5.174 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1 121473 ZDCOYULUTBJBBH-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA COc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 126629 KMIMBUITWSNWCW-UHFFFAOYSA-N 330.840 5.524 0 50 EKAA O=C(Nc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl 398084 SLRAJLRNOIPCOV-UHFFFAOYSA-N 333.577 5.430 0 50 EKAA COc1ccc(-c2csc(Nc3cccc(C(C)=O)c3)n2)cc1C 472557 ZYUJFXJCMBXKRH-UHFFFAOYSA-N 338.432 5.073 0 50 EKAA CC(C)C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 5094698 WVFHUWMAEPQYGB-UHFFFAOYSA-N 349.217 5.396 0 50 EKAA COc1cc(C)cc(NC(=O)c2csc(C3CCCCC3)c2)c1C 2325840002 LJZXXQDIOZKOEZ-UHFFFAOYSA-N 343.492 5.674 0 50 EKAA CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 445466 YJGZDEUNIIEYSZ-UHFFFAOYSA-N 344.625 5.298 0 50 EKAA Clc1ccc(-c2csc(NCc3ccccc3)n2)c(Cl)c1 454839 NQPMPMQIXYBZQD-UHFFFAOYSA-N 335.259 5.729 0 50 EKAA c1ccc(CN(CCCOc2ccccc2)Cc2ccccc2)cc1 1726981 SGLRHRHESOSRDS-UHFFFAOYSA-N 331.459 5.158 0 50 EKAA c1ccc(-c2ccc(-c3nc4ccc(-c5ccccc5)cc4o3)cc2)cc1 2141023 WISWLZYHZLVSMO-UHFFFAOYSA-N 347.417 6.829 0 50 EKAA CC(C)(C)c1cc(CNCc2ccccc2)cc(C(C)(C)C)c1O 2565330 IJYNZETULFXFCV-UHFFFAOYSA-N 325.496 5.277 0 50 EKAA Clc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1 2894632 CIAUINDXNVVMHI-UHFFFAOYSA-N 334.850 5.365 0 50 EKAA CCc1ccccc1NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 3068181 BDKDVTKTLXXPEP-OAQYLSRUSA-N 341.454 5.194 0 50 EKAA CCC(CC)C(=O)Nc1cc(-c2cccc(C)c2)nn1-c1ccccc1 8598889 XRCTYSQTFPWBIE-UHFFFAOYSA-N 347.462 5.222 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 149944 NUOQIFQXUMNDCG-UHFFFAOYSA-N 337.250 6.069 0 50 EKAA Fc1ccc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 547554 MUAOLGQATFHHAU-UHFFFAOYSA-N 339.370 5.380 0 50 EKAA O=C(O)c1c(Cl)ccc(Cl)c1C(=O)c1cccc2ccccc12 45068480 RMXZWWPGAZXCED-UHFFFAOYSA-N 345.181 5.076 0 50 EKAA FC(F)(F)c1cc(Br)ccc1OCc1ccccc1 59650530 QTPKEFVNEOEGGH-UHFFFAOYSA-N 331.131 5.047 0 50 EKAA in-vitro O=C(Nc1ccccc1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 64984520 XIPVAWDLIPOVAD-GOSISDBHSA-N 328.843 5.489 0 50 EKAA Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)c1 64984594 MDBGOZAACVJOAZ-NRFANRHFSA-N 336.479 5.761 0 50 EKAA c1ccc(N=c2scc(-c3cccs3)n2-c2ccccc2)cc1 254701159 JEVDVDVTJQNQLW-UHFFFAOYSA-N 334.469 5.500 0 50 EKAA O=C1[C@H](c2ccccc2)[C@H]2C[C@@H](C3=C2[C@H]2CC[C@H]3C2)[C@@H]1c1ccccc1 257356727 JXXDAMMWELRUGQ-KNNWPQOTSA-N 340.466 5.499 0 50 EKAA CC(=C\c1ccc(Cl)s1)/C=C(\C)c1nc(O)c2ccsc2n1 1875355667 DOMSGYMBCDCGQV-DGLUDJRXSA-N 348.880 5.619 0 50 EKAA Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1 95027 GTERTWFOKOCRGO-UHFFFAOYSA-N 340.810 5.173 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 33955138 AVKOENOBFIYBSA-WMPRHZDHSA-N 330.512 6.773 0 50 EKAA endogenous,in-man Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)c1 36620683 UZEYZXXRKGFTBW-SFHVURJKSA-N 328.843 5.326 0 50 EKAA Cc1ccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)cc1 433103 UKHGBTXRFXMVLG-UHFFFAOYSA-N 338.410 5.463 0 50 EKAA CCCc1cc(=O)oc2cc(OCc3ccc(F)cc3Cl)ccc12 458745 IZRJQEQMXAOKBU-UHFFFAOYSA-N 346.785 5.117 0 50 EKAA Cc1ccc(C(=O)CCSc2ccc(Br)cc2)cc1 2522077 HANTXTKWNNDHPG-UHFFFAOYSA-N 335.266 5.123 0 50 EKAA COC(=O)c1cc(-c2ccc(OCCC(C)C)cc2)nc2ccccc12 4724525 IQGHTUPYNVOBEU-UHFFFAOYSA-N 349.430 5.113 0 50 EKAA Cc1ccc2cccc(OC(=O)Nc3ccc(Cl)cc3C)c2n1 396666 MHLHJGYLVJRDJY-UHFFFAOYSA-N 326.783 5.116 0 50 EKAA CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 4904557 OGENYJYBPSGUSN-UHFFFAOYSA-N 333.387 5.130 0 50 EKAA CC(C)c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 132032 YXJZKRIDXQFMAC-UHFFFAOYSA-N 338.234 5.134 0 50 EKAA Cc1ccc(Nc2ncnc3sc(C)c(C)c23)cc1Br 144697 JENUKNKWPXSHNX-UHFFFAOYSA-N 348.269 5.123 0 50 EKAA Cc1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1 145087 SIXGPQBIZNJTDW-UHFFFAOYSA-N 326.490 5.171 0 50 EKAA CCOc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 363037 VPRPIQVTWATVHG-UHFFFAOYSA-N 345.442 5.246 0 50 EKAA Cc1ccc(-c2noc(CC(c3ccccc3)c3ccccc3)n2)cc1 460939 AOATUHUBVHXTKN-UHFFFAOYSA-N 340.426 5.420 0 50 EKAA O=C(Nc1cccc(F)c1)c1cc(-c2cccs2)nc2ccccc12 476212 AXTWOSXBAWLIKA-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA Cc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1C 1895270 BHSKRCFQHODEQK-UHFFFAOYSA-N 331.444 5.719 0 50 EKAA O=C(Nc1ccccc1Cl)c1ccc(-c2ccccc2Cl)o1 4542022 XGYSIVAQKAUIOD-UHFFFAOYSA-N 332.186 5.506 0 50 EKAA CC(=O)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 31356661 HUCXKZBETONXFO-YGKYSWEFSA-N 330.556 7.501 0 50 EKAA in-vitro CC[C@H](CNc1ccnc2cc(Cl)ccc12)Oc1ccccc1F 2325874543 QFCUHLGIMRCESZ-CQSZACIVSA-N 344.817 5.297 0 50 EKAA C[C@@H](NC(=S)Nc1ccc(SC(F)(F)F)cc1)C(C)(C)C 48209 OEVOZUAJLIJWHI-SECBINFHSA-N 336.448 5.020 0 50 EKAA Cc1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc12 457654 LONUEIGJGYNVNX-UHFFFAOYSA-N 339.394 5.429 0 50 EKAA Cc1c(Cl)cccc1NC(=O)Nc1ccccc1C(F)(F)F 2165522 DQFSUNZNQCZYLN-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA O=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(F)(F)F 2488058 UWVRJJWVEIVTNC-UHFFFAOYSA-N 337.728 5.088 0 50 EKAA Cc1c(Cl)cccc1NC(=O)CSCc1ccccc1Cl 2846006 KVTNBYHAHGYPMC-UHFFFAOYSA-N 340.275 5.174 0 50 EKAA Clc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)cc1 4661972 VJQMUTGVAWNULL-GOSISDBHSA-N 338.838 5.154 0 50 EKAA Cc1ccc(-n2c([C@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]c2=S)cc1 6533870 RHXMARFAJZENTK-HOTGVXAUSA-N 341.867 5.163 0 50 EKAA CCC[C@H](F)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705042 QWKOFFDPSCMXAL-AWEZNQCLSA-N 329.459 5.644 0 50 EKAA in-vitro CC1(C)CCC(NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)CC1 103285439 NKNGAORFGPSYJG-UHFFFAOYSA-N 339.266 5.173 0 50 EKAA Cc1ccccc1[C@H](C(=O)Nc1ccc2cccnc2c1)C1CCCC1 1875335865 JOUZFTMHHQISCP-JOCHJYFZSA-N 344.458 5.456 0 50 EKAA O=C(CC(CC(=O)c1cccs1)c1cccs1)c1cccs1 273288 ZISCYWQQJKNHKC-UHFFFAOYSA-N 346.498 5.501 0 50 EKAA O=C(Nc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12 433970 BKXRUPAIQYQOPA-UHFFFAOYSA-N 342.373 5.293 0 50 EKAA CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1Cl 471439 AJPDCGNFHHMHRH-UHFFFAOYSA-N 336.262 5.434 0 50 EKAA O=C(Nc1ccccc1Cl)C1(c2ccc(Cl)cc2)CCCC1 484206 ZVFPARYZWFDLLI-UHFFFAOYSA-N 334.246 5.444 0 50 EKAA CCCC[C@@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 2350938 PCESVUMMJXHDBT-AUUYWEPGSA-N 344.480 5.164 0 50 EKAA FC(F)(F)c1cccc2c(Cl)cc(C(Cl)(Cl)Cl)nc12 2577897 LJQTYYBJSXXNTO-UHFFFAOYSA-N 348.966 5.734 0 50 EKAA in-vitro CCCCOc1ccc(OC(=O)Nc2c(CC)cccc2CC)cc1 3086152 BXZDVAADNJDWCS-UHFFFAOYSA-N 341.451 5.601 0 50 EKAA Cc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc1 5032451 QDKLNZWPGOFLHM-QHCPKHFHSA-N 344.502 5.541 0 50 EKAA Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2F)oc2ccccc12 6825381 LMFKQGLZZAACIK-UHFFFAOYSA-N 337.272 5.151 0 50 EKAA COc1ccc2c(c1)N(C)/C(=C\C1=Nc3cccc4cccc1c34)S2 685944546 LNYIXOATTFMVMF-UDWIEESQSA-N 344.439 5.366 0 50 EKAA CCc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1 99480 XAODKRCAUBTAPF-UHFFFAOYSA-N 341.458 5.369 0 50 EKAA CCc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1 433940 HLDYSLRRQHOLHR-UHFFFAOYSA-N 344.458 5.137 0 50 EKAA O=c1cc(-c2ccccc2)c2cc3c(-c4ccccc4)coc3cc2o1 2356699 SHEONDSNCSYCJX-UHFFFAOYSA-N 338.362 5.873 0 50 EKAA biogenic COc1ccc(-c2ccccc2)cc1NCc1ccc(SC)cc1 2894017 PQFMCOBEHKBEFM-UHFFFAOYSA-N 335.472 5.696 0 50 EKAA CCCCc1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)cc1 2978615 CZMFCWKIJHDHIG-UHFFFAOYSA-N 331.843 5.334 0 50 EKAA Brc1ccc2c(c1)c1ccccc1n2Cc1ccccc1 3113955 NMNQVRIUUBFICK-UHFFFAOYSA-N 336.232 5.605 0 50 EKAA in-vitro O=C(c1cc(-c2ccco2)on1)N(C1CCCCC1)C1CCCCC1 3908397 RUXOQMQTXTYEKH-UHFFFAOYSA-N 342.439 5.042 0 50 EKAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCCCC1 5032000 VDMQIHQIFYUSBJ-UHFFFAOYSA-N 335.447 5.403 0 50 EKAA CCCCC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 13574146 MZWDNWGOALGHNY-MQSCRBSSSA-N 335.491 5.570 0 50 EKAA O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccccc3)nc2c1 15659825 NHQTYMWPSIPZGS-KAMYIIQDSA-N 340.382 5.147 0 50 EKAA Clc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N12 25586481 RZMSEVAAEBXXHE-AEGADVIYSA-N 344.845 5.267 0 50 EKAA Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1ccccc1F 36621179 ZNPAXTQAJATLIH-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA CC[N+]1=C(/C=C/C=C/C=C/N(C)C)C(C)(C)c2c1ccc1ccccc21 685944789 XWWVKAITKOCONX-UHFFFAOYSA-N 345.510 5.424 0 50 EKAA CCOc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 311773 YUIFQJZITYKDFW-UHFFFAOYSA-N 343.732 5.010 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)Nc3ncccc3Cl)sc2c1 441491 HOOLLAJKFLSOQB-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA CCc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 441646 DIZJWRDDQLNSFD-OAQYLSRUSA-N 347.483 5.721 0 50 EKAA O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 474931 NYIIICMRPNBHGT-KRXBUXKQSA-N 326.610 5.299 0 50 EKAA CCCCc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 2835166 NIQKOBMAZCJTJA-UHFFFAOYSA-N 332.900 5.169 0 50 EKAA CCOc1ccc(Br)cc1-c1nc2ccccc2s1 2857041 VLYGZJRTOHATOS-UHFFFAOYSA-N 334.238 5.125 0 50 EKAA Cc1ccc(-c2cc(-c3ccccc3)nc(Nc3ccccc3)n2)cc1 2904725 KRZNPDAYEIAWSQ-UHFFFAOYSA-N 337.426 5.863 0 50 EKAA Oc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc1 9044778 MMNUQNGCJDQNLM-UHFFFAOYSA-N 347.805 5.399 0 50 EKAA Clc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)cc1 45068135 RFYXHKRNQLYBSS-SFHVURJKSA-N 338.863 5.757 0 50 EKAA CCOP(=O)(Cc1cc2cc(Cl)ccc2nc1Cl)OCC 1776003765 BIZVGYPDLYZJAW-UHFFFAOYSA-N 348.166 5.308 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl 392969 YTDCKAFBPVUGBV-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA COc1ccc(Cl)cc1NC(=O)Oc1cc(Cl)ccc1Cl 397755 YPALWHMWRSRABH-UHFFFAOYSA-N 346.597 5.266 0 50 EKAA c1ccc(CC2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 2810926 XXXYSQDTYBMDAV-UHFFFAOYSA-N 341.498 5.808 0 50 EKAA Fc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 6045193 HXRJRVXPRUXRGH-UHFFFAOYSA-N 338.329 5.712 0 50 EKAA c1ccc2[nH]c([C@H]3CCCCN3Cc3ccn(C4CCCC4)n3)cc2c1 1875318508 PXTPYSPEEJOVCF-JOCHJYFZSA-N 348.494 5.207 0 50 EKAA CCN(CC)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 44448 KXVTXPHTBUHLBH-UHFFFAOYSA-N 333.884 5.114 0 50 EKAA CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1cccc(Cl)c1 313955 DOLCMKRZEICASR-UHFFFAOYSA-N 327.811 5.194 0 50 EKAA CCC[C@@H](C)NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 1050405 AUQXBBTVTBSCBR-MRXNPFEDSA-N 327.493 5.206 0 50 EKAA C[C@@H](NC(=O)c1cccc2ccccc12)c1ccc2ccccc2c1 1071945 GWZLURYATKHVDU-MRXNPFEDSA-N 325.411 5.484 0 50 EKAA CCn1nc(C)c2c(C(F)F)cc(-c3cccc4ccccc34)nc21 2733163 USHGRNQRDFIDSN-UHFFFAOYSA-N 337.373 5.517 0 50 EKAA CN1[C@@H](c2ccccc2)CC(O)(c2ccccc2)C[C@@H]1c1ccccc1 3082425 MQPSFALRBZMFQW-DHIUTWEWSA-N 343.470 5.082 0 50 EKAA CCCCc1ccc(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)cc1 17071930 GLPVZQIORRQCOM-UHFFFAOYSA-N 344.505 5.069 0 50 EKAA CCCC(=O)N1c2c(C)cccc2[C@H](Nc2ccccc2C)C[C@@H]1C 75526 LAZKXQSSMQCQPU-FXAWDEMLSA-N 336.479 5.382 0 50 EKAA Cc1ccc2[nH]c(SCc3ccc(Br)cc3)nc2c1C 207918 ZWIMNIUQPUCWIU-UHFFFAOYSA-N 347.281 5.235 0 50 EKAA Cc1ccn2c(NCc3ccccc3)c(-c3ccc(F)cc3)nc2c1 319667 HOOYVHUMFHSPQW-UHFFFAOYSA-N 331.394 5.061 0 50 EKAA Cc1cccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1 4956920 MLRFVXPZGZXXLS-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1ccc(C(C)C)c(OCCn2c(=S)[nH]c3ccccc32)c1 5926277 FEHKMRKXIVBAPE-UHFFFAOYSA-N 326.465 5.210 0 50 EKAA CCC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1C(C)C 242688220 VKZWRJPZKYCXEQ-ODAXIHTASA-N 337.507 5.266 0 50 EKAA O=C(O)C1CCC(N[C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 263439170 VQWIORFXPNQMGS-PPSBMQLTSA-N 349.902 5.194 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)OC 936069292 VCDLWFYODNTQOT-XIQQOEIWSA-N 342.523 6.637 0 50 EKAA CC1=CCC[C@@H](C)[C@@H]1CNc1ccccc1CN1CCc2ccccc21 2325817579 CUILKTCNRVKQLF-DENIHFKCSA-N 346.518 5.654 0 50 EKAA CCCCc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325823883 HIIMFKVCDWCGQA-UHFFFAOYSA-N 326.440 6.035 0 50 EKAA Cc1cc2oc(=O)c3c(c2c2occ(-c4ccccc4)c12)CCCC3 95420 RTNQLSNXFKISNC-UHFFFAOYSA-N 330.383 5.393 0 50 EKAA biogenic Cc1ccc2cccc(OC(=O)Nc3cc(Cl)ccc3Cl)c2n1 396695 YWXMPLSTCQLRLW-UHFFFAOYSA-N 347.201 5.461 0 50 EKAA Cc1ccc2c(CC(=O)Nc3ccccc3C(F)(F)F)coc2c1C 8614300 BLCODIZTXDODTI-UHFFFAOYSA-N 347.336 5.250 0 50 EKAA aggregator CC(C)(C)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 25541091 YUQRKSFLRITHTG-BDDZGLPXSA-N 346.555 5.782 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)c2ccccc2Br)cc1 101497 APVWRNRBDLNDKE-LBPRGKRZSA-N 332.241 5.215 0 50 EKAA Cc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1C 122403 RYHCKBJUGWROGD-UHFFFAOYSA-N 339.479 5.568 0 50 EKAA CC(C)c1ccccc1NC(=O)COc1cc(Cl)ccc1Cl 130419 AUEFZGMKHBOKED-UHFFFAOYSA-N 338.234 5.134 0 50 EKAA CC(=O)c1cccc(NC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 1741659 VNASFZLNQYQJRU-UHFFFAOYSA-N 345.402 5.277 0 50 EKAA Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1766728 JKHTXMQUPACTGZ-CSKARUKUSA-N 348.273 6.077 0 50 EKAA CCC1(CC)O[C@H]2c3cc4ccccc4cc3OCN2c2ccccc21 3626423 VRKQURXZKJQXAP-QFIPXVFZSA-N 345.442 5.740 0 50 EKAA CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1O[C@H]1CCCC(=O)OC 39333663 WTKAVFHPLJFCMZ-SXZQJPGFSA-N 332.484 5.292 0 50 EKAA in-vitro Cc1ccc2c(C)c(C(=O)N3CC[C@@H]3c3ccc(F)cc3)oc2c1C 77438160 VPNYTJMWYXPVDN-GOSISDBHSA-N 337.394 5.084 0 50 EKAA CC[C@@H](CNc1ccnc2cc(Cl)ccc12)Oc1ccccc1F 2325874542 QFCUHLGIMRCESZ-AWEZNQCLSA-N 344.817 5.297 0 50 EKAA Cc1ccc(C)c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 95035 YBSJFEXMHNXSNN-UHFFFAOYSA-N 340.810 5.173 0 50 EKAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1Cl 476006 JWSDNGSXOKQOFX-SNVBAGLBSA-N 338.209 5.114 0 50 EKAA C[C@H](Sc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 610061 NYXKNLXCZHRSLZ-JTQLQIEISA-N 326.248 5.113 0 50 EKAA CCc1ccccc1NC(=O)C1C(c2ccccc2)=C1c1ccccc1 1168535 QDXNUHNYHWHWCB-UHFFFAOYSA-N 339.438 5.428 0 50 EKAA c1ccc2c(c1)C(=C1c3ccccc3-c3ccccc31)c1ccccc1-2 1724509 NVMYRXGXUBZAIU-UHFFFAOYSA-N 328.414 6.655 0 50 EKAA in-vitro C1=CN(/C2=C(\N3CCOCC3)CCCCCCCCCC2)CCCC1 4823062 UZWXGZJGTKABKP-DQRAZIAOSA-N 346.559 5.444 0 50 EKAA CC(=O)[C@@H](C(=O)c1ccccc1)C1c2ccccc2Oc2ccccc21 19789660 QQXCYSURNXIYNP-OAQYLSRUSA-N 342.394 5.012 0 50 EKAA Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 35476482 BCJFRESCLMGBEF-SFHVURJKSA-N 328.843 5.326 0 50 EKAA COC(=O)C1=CC=CC2=C(CC[C@@H](C)[C@]2(C)CCc2ccoc2)C1 139508391 CHQQKKJBNXRIGN-VFNWGFHPSA-N 326.436 5.004 0 50 EKAA biogenic CCCc1cc(=O)oc2cc3occ(-c4ccc(OC)cc4)c3cc12 95266 DIIWAJIEUVWLMI-UHFFFAOYSA-N 334.371 5.167 0 50 EKAA biogenic O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1 101559 KNIGXNCTLLMFAH-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA O=C1C[C@H](c2cccc(Cl)c2Cl)c2ccc3ccccc3c2N1 124130 CSZUIPKTMYXQAF-OAHLLOKOSA-N 342.225 5.621 0 50 EKAA CCCc1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)cc1 442907 GUBYJZHEUNEGIJ-UHFFFAOYSA-N 330.790 5.072 0 50 EKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 444092 AASAHXJYCWBAIV-ZDUSSCGKSA-N 341.863 5.613 0 50 EKAA CCCCOc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 1768229 AUSQWJOGPBRHQL-UHFFFAOYSA-N 338.403 5.381 0 50 EKAA C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)s1 13744541 JLGLIDIBKFIPLA-SSDOTTSWSA-N 349.670 5.591 0 50 EKAA CCCC(C[C@@H]1CC2CCN1CC2)(c1ccccc1)c1ccccc1 71770740 SGXVRWUBWMJFOV-QHCPKHFHSA-N 333.519 5.647 0 50 EKAA S=c1[nH]nc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 81053 JHVHAIVKQSTEDZ-UHFFFAOYSA-N 328.268 5.420 0 50 EKAA CC(C)c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 303351 YWOXWUYMJSOPNC-UHFFFAOYSA-N 328.799 5.092 0 50 EKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc2ccccc12 338612 KOPDAEZHKIWEDS-UHFFFAOYSA-N 339.394 5.884 0 50 EKAA CC(C)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 443845 GCDBREONKKVRHO-UHFFFAOYSA-N 333.884 5.584 0 50 EKAA CC(C)(C)c1cc(C(=O)Oc2ccc(C=O)cc2)cc(C(C)(C)C)c1 1838908 AFHVFONEDJZBCI-UHFFFAOYSA-N 338.447 5.313 0 50 EKAA C[C@@H]1CCC[C@@H](C)N1CCCCn1c2ccccc2c2ccccc21 2024755 WIMYUILTCSIRQN-RTBURBONSA-N 334.507 5.838 0 50 EKAA CCCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C(C)C)cc2)cc1 2800898 CVZDAEOHKXYZBC-NRFANRHFSA-N 339.479 5.480 0 50 EKAA CC(C)(C)CC(C)(C)c1ccc(OC(=O)Nc2ccccc2)cc1 2854394 OLDKKLVCCTUNJR-UHFFFAOYSA-N 325.452 6.011 0 50 EKAA CN(C)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 4117002 BKEJEQZVKWLBQS-UHFFFAOYSA-N 329.856 5.273 0 50 EKAA Cc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 4542360 JEBMJBDJYUYYIC-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA COc1ccc(-c2nc3ccccc3nc2Nc2ccc(C)cc2)cc1 16134281 GZYFUYUOVHNFLP-UHFFFAOYSA-N 341.414 5.357 0 50 EKAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)cc1 35561785 VLBVIIVOQUSDMK-IBGZPJMESA-N 344.405 5.422 0 50 EKAA CC(C)[Si](N[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C 196693034 KEBQKMFRRCSNFD-UHFFFAOYSA-N 329.721 6.927 0 50 EKAA CCCC[C@H]1CCCN1C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 426518981 OVBKZNPLBMVBMV-IBGZPJMESA-N 347.462 5.025 0 50 EKAA Cc1ccc(C)c(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 1231126 BTXCKOBJSIDBNO-NRFANRHFSA-N 341.454 5.248 0 50 EKAA CCCCN(CCCC)C(=O)Nc1c(C(C)C)cccc1C(C)C 2172133 VDCYSAZKXLOMCN-UHFFFAOYSA-N 332.532 6.368 0 50 EKAA CC(C)c1cccc(C(C)C)c1OCCCCCCN1CCCCC1 2903731 QPTNACNCPVHNQZ-UHFFFAOYSA-N 345.571 6.359 0 50 EKAA Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 4258358 WOZQYZMWLVUJEO-UHFFFAOYSA-N 328.371 5.056 0 50 EKAA Fc1ccc(-n2ncc3c(C(F)F)cc(-c4cccs4)nc32)cc1 20603111 RONFOPKYBDITJT-UHFFFAOYSA-N 345.349 5.226 0 50 EKAA Cc1ccc(-c2nc(-c3ccccc3)c(Br)s2)cc1 98073107 KHLSLQBSBGUTIR-UHFFFAOYSA-N 330.250 5.548 0 50 EKAA CCOC(=O)/C=C1/CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257345714 GYQSKOGOCVOEJI-DTGKZFFQSA-N 344.539 5.909 0 50 EKAA Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1 261507513 JKHCVYDYGWHIFJ-UHFFFAOYSA-N 343.817 5.526 0 50 EKAA CC1=CCC[C@@H](C)[C@H]1CNc1ccccc1CN1CCc2ccccc21 2325817580 CUILKTCNRVKQLF-KNQAVFIVSA-N 346.518 5.654 0 50 EKAA CC1(C)Cc2c(ccc3ccccc23)C(Sc2ccc(N)cc2)=N1 112481 HFQLHPYTYXWMIX-UHFFFAOYSA-N 332.472 5.296 0 50 EKAA COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)cc1 170916 XZDFVGKIVJXAKE-UHFFFAOYSA-N 341.794 5.169 0 50 EKAA COc1ccccc1NC(=O)Nc1ccc(Nc2ccccc2)cc1 397514 OVELIDZADRLHAU-UHFFFAOYSA-N 333.391 5.083 0 50 EKAA CC(=O)c1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 609280 RHHRXIMWDRRUEK-UHFFFAOYSA-N 346.386 5.326 0 50 EKAA CCc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H]2CCCCC2=O)cc1 1194992 QYTXXFYVYBVPCX-LEWJYISDSA-N 334.459 5.365 0 50 EKAA CCCc1cc(=O)oc2cc(C)cc(OC/C=C/c3ccccc3)c12 2811946 FAJPOBCLCHJXED-YRNVUSSQSA-N 334.415 5.146 0 50 EKAA CCCCCCSc1nnc(-c2ccc(Cl)cc2Cl)o1 2896193 DWXXYRLDXSXGEY-UHFFFAOYSA-N 331.268 5.716 0 50 EKAA C[C@H]1C[C@H](C)CN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 4989349 BLXRGGUYLQLXBJ-HOTGVXAUSA-N 329.871 5.610 0 50 EKAA Cc1cccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)c1 5032446 PTBBRFLEDQEGLD-QHCPKHFHSA-N 344.502 5.541 0 50 EKAA CCS[C@H](c1ccccc1)c1[nH]c2ccccc2c1CCN(C)C 71769157 MMYIBOYZAPLAAX-OAQYLSRUSA-N 338.520 5.115 0 50 EKAA COc1c(C)cc(C)cc1NC(=O)c1csc(C2CCCCC2)c1 2325840528 DOCTYQYDYOHJGN-UHFFFAOYSA-N 343.492 5.674 0 50 EKAA c1ccc([C@H]2CCC[C@H]2CNCc2cccc(CC3CCC3)c2)cc1 2325842326 VBESAZCNINJBPX-BJKOFHAPSA-N 333.519 5.703 0 50 EKAA O=C(OCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 306029 LNKPFTSNRNURSC-UHFFFAOYSA-N 339.394 5.259 0 50 EKAA Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccco3)cc(C(F)F)c12 20604280 LHTJOHWEANTQGO-UHFFFAOYSA-N 343.308 5.066 0 50 EKAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)cc1 36621004 QXCWOZIYPDDOES-GOSISDBHSA-N 344.842 5.026 0 50 EKAA CCc1cccc(C)c1NC(=O)COc1cc(C)ccc1C(C)C 45133 OJBDHTRHZJKAQG-UHFFFAOYSA-N 325.452 5.007 0 50 EKAA O=C(Nc1cccc(Cl)c1)C1c2ccccc2Oc2ccccc21 117278 VEONNMCVDJCVFZ-UHFFFAOYSA-N 335.790 5.216 0 50 EKAA Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc(Cl)cc3)n2c1 426805 QRLKDFHSDKYFBT-UHFFFAOYSA-N 349.821 5.412 0 50 EKAA Clc1ccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)c2)cc1 2155989 QCRYFOVLJNADSI-UHFFFAOYSA-N 334.633 6.376 0 50 EKAA COc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 2853673 DPYBTZDCADEZJB-UHFFFAOYSA-N 344.720 5.011 0 50 EKAA Cc1oc(-c2cccc(F)c2)nc1CN(C)[C@@H](C)c1cccs1 11843354 UOOHSJCKYCBXDT-LBPRGKRZSA-N 330.428 5.044 0 50 EKAA Cc1cc(Nc2ccccc2)n2nc(C)c(-c3ccccc3Cl)c2n1 23114920 LPRGJSJKHBYKID-UHFFFAOYSA-N 348.837 5.410 0 50 EKAA CCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 36620759 YTLPAHHKPZURJH-GOSISDBHSA-N 328.843 5.271 0 50 EKAA CC(=O)c1cccc(NC(=O)C2[C@H]3CCC=CCCC=CCC[C@H]23)c1 252593359 BJQOSONJQCUKEY-AHTKWCMKSA-N 337.463 5.157 0 50 EKAA Cc1cccc2c(-c3cc(C(F)(F)F)c4ccccc4n3)c[nH]c12 1875390148 CHPLJDBQSPGHNW-UHFFFAOYSA-N 326.321 5.710 0 50 EKAA Cc1c(C)c2ccc(OCc3cccc4ccccc34)c(C)c2oc1=O 305962 LVOHSKPFLQPLMI-UHFFFAOYSA-N 344.410 5.450 0 50 EKAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 475656 IXDYRMDPENGOAK-UHFFFAOYSA-N 337.806 5.314 0 50 EKAA O=C(c1ccc(Br)cc1)c1cccc(-c2ccccc2)c1 3132900 GJMQMELQAXJFCV-UHFFFAOYSA-N 337.216 5.347 0 50 EKAA COc1ccccc1[C@H]1CC(c2cccs2)=NN1c1ccccc1 4712861 NNAUZWCODSCHDL-GOSISDBHSA-N 334.444 5.112 0 50 EKAA COc1ccc(Nc2c(Cl)c(Cl)nc3ccc(OC)cc23)cc1 358446 YSKJEMFRPNKWGC-UHFFFAOYSA-N 349.217 5.302 0 50 EKAA O=C(O)CCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 115814103 HQERNOHMGPEZSO-UHFFFAOYSA-N 332.403 5.036 0 50 EKAA Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(C2CCCC2)no1 329705191 JFVPLWOUNGTNGO-UHFFFAOYSA-N 347.777 5.150 0 50 EKAA CCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)c2cccnc12 1875340996 BRDREBSEWFXXGU-MRXNPFEDSA-N 348.446 5.792 0 50 EKAA CC(C)N(C(C)C)P(OCc1ccccc1)OCc1ccccc1 155860 ANPWLBTUUNFQIO-UHFFFAOYSA-N 345.423 5.766 0 50 EKAA in-vitro COc1ccc(Br)cc1CNc1cccc(Cl)c1C 280201 HVUHXXYYGXIOJN-UHFFFAOYSA-N 340.648 5.032 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1 458215 BYYITEKAZOUQJX-UHFFFAOYSA-N 348.151 5.573 0 50 EKAA Cc1cccc(NC2=C3CCCCC=C3N(c3cccc(C)c3)C2=O)c1 1422807 FXVFAPNAMYWECO-UHFFFAOYSA-N 344.458 5.474 0 50 EKAA C[C@@H](CCc1ccc(O)cc1)NC1c2ccccc2-c2ccccc21 6408864 WWOFNTSGXYPTPL-INIZCTEOSA-N 329.443 5.073 0 50 EKAA CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 35476474 TVKCVMSSBZSVLD-SFHVURJKSA-N 328.843 5.271 0 50 EKAA C[C@H](Cc1cccnc1)n1cnc(-c2ccccc2)c1-c1ccoc1 65373114 MLYQANSUDMQDSD-MRXNPFEDSA-N 329.403 5.009 0 50 EKAA Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)cc(C)c1Cl 442516 XVOMKCNNQVWDOQ-UHFFFAOYSA-N 331.843 5.098 0 50 EKAA CC(C)(C)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 2828168 ADJJSCADBGDHNV-UHFFFAOYSA-N 341.539 6.092 0 50 EKAA COc1ccc(CC[C@H](C)NC(c2ccccc2)c2ccccc2)cc1 2894030 YKFBBRHFWPWXRS-IBGZPJMESA-N 345.486 5.396 0 50 EKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 4309999 ZHFHCBMXBKQWTN-UNMCSNQZSA-N 344.389 5.068 0 50 EKAA Clc1ccccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1 5332073 FZDNBQMEBHOANQ-UHFFFAOYSA-N 341.841 6.736 0 50 EKAA CC(C)(C)c1cc(C(=S)N2CCCCC2)cc(C(C)(C)C)c1O 366002 SSTITPHLLGHRFO-UHFFFAOYSA-N 333.541 5.149 0 50 EKAA CCCCc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 2172429 ZINZYNKPMUPCIE-UHFFFAOYSA-N 336.357 5.692 0 50 EKAA CC[C@H](C)c1ccc(OCCSc2nc3ccccc3[nH]2)cc1 2994634 QQACTNVHHVUXQT-AWEZNQCLSA-N 326.465 5.248 0 50 EKAA CCCCCC1CCC(c2ccc(C(=O)CCN(C)C)cc2)CC1 3899106 GZZHQEUVMJDIQE-UHFFFAOYSA-N 329.528 5.675 0 50 EKAA O=C(Sc1cc2ccccc2nc1-c1ccccc1)c1ccccc1 5572287 SQWNPFWISWYPQG-UHFFFAOYSA-N 341.435 5.834 0 50 EKAA Cc1ccc(-c2csc3ncnc(Oc4ccc(C)c(C)c4)c23)cc1 91525 YQUNRHXDXUURET-UHFFFAOYSA-N 346.455 6.076 0 50 EKAA Cc1cccc(F)c1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 476761 RIUYKNIMTLGBOS-DLBZAZTESA-N 325.427 5.174 0 50 EKAA CC(C)CN(CC(C)C)C(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 1021590 YFMWFMCLRQMUIU-PMACEKPBSA-N 329.528 5.228 0 50 EKAA Cc1nc(-c2ccccc2F)sc1[C@H](C)N[C@H](C1CCC1)C1CC1 2325827399 FIRNZOGSFUBUJU-KPZWWZAWSA-N 344.499 5.487 0 50 EKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 72566 GKOMOXGRXBMEET-UHFFFAOYSA-N 328.371 5.056 0 50 EKAA O=C(CCSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 443656 OAVYUFXULXPLGU-UHFFFAOYSA-N 326.248 5.114 0 50 EKAA O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)Cc1ccccc1-2 2969698 TXHRUNVSWJIRND-UHFFFAOYSA-N 333.818 5.092 0 50 EKAA Cn1c(/C=C/c2ccc(C(=O)c3ccccc3)s2)nc2ccccc21 5044783 WHFJBRSTOVANCH-WYMLVPIESA-N 344.439 5.036 0 50 EKAA O=C(Nc1cnccc1-c1ccccc1)c1cc(C2CC2)oc1C1CC1 935658435 LDGBWDJWGHFCAM-UHFFFAOYSA-N 344.414 5.349 0 50 EKAA CC[C@]1(C(C)C)C[C@@H]1C(=O)Nc1ccccc1OCC1CCCCC1 1875357865 ZMCBTGRIBRYVDW-XMSQKQJNSA-N 343.511 5.657 0 50 EKAA CC(=O)c1ccc(O[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 2299912216 NYFBUZKSMNBGFX-OAQYLSRUSA-N 336.818 5.711 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)C(c1ccccc1)c1ccccc1 335690 MHODGQIJGZPGTJ-UHFFFAOYSA-N 335.834 5.419 0 50 EKAA O=c1oc2cc(OCc3cccc4ccccc34)ccc2c2c1CCC2 408762 GESFJPWESJPJEQ-UHFFFAOYSA-N 342.394 5.014 0 50 EKAA CCC(=O)Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1 472641 YHWZSTUOIDOYDQ-UHFFFAOYSA-N 346.452 5.076 0 50 EKAA CCCCC[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 2558217 JRLOEMCOOZSCQP-JOCHJYFZSA-N 335.447 5.428 0 50 EKAA biogenic,in-vivo COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2C)cc1 4844367 RLRUNTJZILZSNW-QHCPKHFHSA-N 342.442 5.359 0 50 EKAA C[C@H]1C[C@H](C)CN(CCCCOc2ccccc2-c2ccccc2)C1 4905609 GNLPNVFXWVJWDD-PMACEKPBSA-N 337.507 5.491 0 50 EKAA CC[C@H](C)c1nc(C2CCC(F)(F)CC2)n(-c2cccc(C)c2)n1 1875348852 DUARXPPKACXWKE-AWEZNQCLSA-N 333.426 5.382 0 50 EKAA COc1ccc(-c2coc3cc4oc(=O)c5c(c4cc23)CCCC5)cc1 95284 DQOUUXGTYRFGFO-UHFFFAOYSA-N 346.382 5.094 0 50 EKAA biogenic Cc1cc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)c(Cl)cc1Cl 135509 PHHYORWHLDBOOP-ZDUSSCGKSA-N 348.273 5.747 0 50 EKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(Cl)s3)nc12 2526094 MJFBJMKOBCFSFU-UHFFFAOYSA-N 338.215 5.277 0 50 EKAA Cc1ccc(C)c(OCCCn2cc(C(=O)C3CC3)c3ccccc32)c1 2860761 MSSFHBXQIDOQGS-UHFFFAOYSA-N 347.458 5.320 0 50 EKAA BrC(Br)=C(c1ccccc1)c1ccccc1 3075501 CTBKMYSHGIZTQX-UHFFFAOYSA-N 338.042 5.193 0 50 EKAA CC(C)c1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 39769786 JBQUZOGCDRDURA-PKTZIBPZSA-N 340.555 5.039 0 50 EKAA CCC[C@@H](C)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859634 PYSUCFNXILFYSH-QGZVFWFLSA-N 341.454 6.387 0 50 EKAA in-vitro CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(Cl)cc1 252676119 WAQSCZXZIAXXAX-UHFFFAOYSA-N 349.286 5.776 0 50 EKAA C[C@@H](NC(=O)c1csc(C2CCCCC2)c1)[C@H](C)c1ccccc1 2325840873 VGTFVQUITVOVSX-JKSUJKDBSA-N 341.520 5.718 0 50 EKAA O=C(Nc1ccccc1F)c1sc2cccc(Cl)c2c1Cl 120416 LPTBJNSYKYXGFS-UHFFFAOYSA-N 340.206 5.600 0 50 EKAA O=C(CC(CC(=O)c1ccccc1)c1cccs1)c1ccccc1 273284 SUQWIRAGCUTYMZ-UHFFFAOYSA-N 334.440 5.378 0 50 EKAA Cc1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 452725 YOXCDFPAKGGYGU-UHFFFAOYSA-N 347.483 5.217 0 50 EKAA O=C(c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 1382873 XJKMUAOIBCQARE-UONOGXRCSA-N 325.622 5.633 0 50 EKAA O=C(Nc1ccc(F)cc1F)c1ccccc1CCc1ccccc1 2881268 OGWHAASOXJUJSL-UHFFFAOYSA-N 337.369 5.002 0 50 EKAA c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1 4015970 FPOLCCIYEGLIOS-RUZDIDTESA-N 348.449 6.196 0 50 EKAA CC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1C 11907410 SPAXPYQRRNYCQW-GOSISDBHSA-N 336.460 5.053 0 50 EKAA CCCCc1cc(Br)c(Cl)c(Br)c1 65356422 RQZFXDPBTJLGHN-UHFFFAOYSA-N 326.459 5.208 0 50 EKAA Cc1ccsc1-c1c(-c2ccccc2)ncn1Cc1ccccn1 65530880 JHBMASLBNRNONU-UHFFFAOYSA-N 331.444 5.030 0 50 EKAA CC1(C)C[C@H](c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)O)cc21 112990880 MCYNICKTSTXAFH-MRXNPFEDSA-N 333.790 5.012 0 50 EKAA Cc1ccc(NC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)cc1 1875317673 HLMDJDSSOIHKTH-QFIPXVFZSA-N 344.458 5.491 0 50 EKAA Cc1nc(C2CCCCC2)sc1C(=O)NC[C@@]1(C)CCC[C@@H]1C 1875357708 TWNODRQAXWADQZ-ORAYPTAESA-N 334.529 5.055 0 50 EKAA O=C(CCSc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 450016 ICXQRUYHLJBRFN-UHFFFAOYSA-N 349.455 5.600 0 50 EKAA O=C(c1cccs1)c1cn(CCOc2ccccc2)c2ccccc12 578851 SKGBDADOXIMMTR-UHFFFAOYSA-N 347.439 5.013 0 50 EKAA CC(C)Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1 1230667 DAJFKQLPJSQVDU-UHFFFAOYSA-N 328.462 5.049 0 50 EKAA Oc1ccccc1-c1nc(Nc2cccc(Cl)c2)c2ccccc2n1 1836834 BIVXJBQSTCUMIL-UHFFFAOYSA-N 347.805 5.399 0 50 EKAA CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1cccnc1 2451706 LTYFHISWXIVMKT-GOSISDBHSA-N 348.383 5.235 0 50 EKAA O=C(Nc1ccccc1Cl)c1cc(C(F)(F)F)ccc1Cl 4764920 RFPPCQVKFSGAKF-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA CC(C)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 6358677 UEYKVUJCRXXRHA-JTHBVZDNSA-N 342.442 5.365 0 50 EKAA CCc1cccc(CC)c1NC(=O)c1ccc(N2CCCCC2)cc1 14399076 OBNOJAFGPUBBOC-UHFFFAOYSA-N 336.479 5.054 0 50 EKAA C[C@H](c1ccccc1)[C@@H](c1ccccc1)[S@](C)(O)c1ccccc1 102311942 OMFZFWWNUYODPN-GCJKJVERSA-N 336.500 6.498 0 50 EKAA O=C(C[C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CC[C@H](CC2CCCC2)C1 2325817653 JOHGMZQIHXWBHS-IVAOSVALSA-N 331.544 5.412 0 50 EKAA CCCOc1ccccc1OCCn1ccc2cc(Cl)ccc21 2325869544 SOELYFFHPOLVBD-UHFFFAOYSA-N 329.827 5.163 0 50 EKAA Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1 52700 DUVWLKNTAKUSOV-UHFFFAOYSA-N 343.348 5.671 0 50 EKAA CC(C)CCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1 486138 TYHAIKCITABFPB-UHFFFAOYSA-N 335.403 5.025 0 50 EKAA biogenic O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1Cl 1098872 NKRUCXIRBNAURJ-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA O=C(CC(c1ccccc1)c1ccccc1)NC1CCCCCCC1 2767457 LXFPPMYHMRPTDZ-UHFFFAOYSA-N 335.491 5.438 0 50 EKAA Fc1ccc(N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 4031116 IRPKPJFHPZUJCI-HNNXBMFYSA-N 328.437 5.304 0 50 EKAA C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3C(C)(C)C3(Cl)Cl)c21 4107563 RCLDZICXMAUTNU-YGRLFVJLSA-N 340.294 5.240 0 50 EKAA Fc1ccc(-c2cc(-c3ccccc3)nnc2-c2ccccc2)cc1 4539308 UDBWRWHAKUGAPG-UHFFFAOYSA-N 326.374 5.617 0 50 EKAA C[C@H](CCc1ccc(O)cc1)NC1c2ccccc2-c2ccccc21 6416365 WWOFNTSGXYPTPL-MRXNPFEDSA-N 329.443 5.073 0 50 EKAA CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118915820 XRQMGIQLKOIPKU-VYAQIDIUSA-N 344.539 5.702 0 50 EKAA Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 584904500 CXVIDGGMNLBIKW-ZTFGCOKTSA-N 344.252 5.002 0 50 EKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 434642 IBXDONHUTXKONE-SNVBAGLBSA-N 326.248 5.113 0 50 EKAA COc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 1640248 ZYKXFGUTFYEAPK-UHFFFAOYSA-N 345.613 5.299 0 50 EKAA CCCCC(=O)Nc1ccc(NCc2c(F)cccc2Cl)cc1 2836800 SGTGEDXZGOREAE-UHFFFAOYSA-N 334.822 5.220 0 50 EKAA CCSc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1 2859029 KBZUWUOWIOJFAS-UHFFFAOYSA-N 340.473 5.174 0 50 EKAA CCc1cc(C(=O)N[C@H](CC)c2ccc(C(C)(C)C)cc2)cs1 20607224 IURSVPDTCNAKNU-GOSISDBHSA-N 329.509 5.489 0 50 EKAA Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1 642771989 BYPCJJONRMPERB-UHFFFAOYSA-N 343.817 5.526 0 50 EKAA CCc1cccc(C)c1NC(=O)C1c2ccccc2Oc2ccccc21 117239 PUKAFVQJJJSTAX-UHFFFAOYSA-N 343.426 5.434 0 50 EKAA CCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 4133115 BWRCCWGTNWSOQM-PKOBYXMFSA-N 326.827 5.010 0 50 EKAA CCc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1 17067807 YFAHFLZLZMHIPA-UHFFFAOYSA-N 330.431 5.160 0 50 EKAA O=C1CCCC[C@@H]1[C@@H](Nc1ccc2ccccc2c1)c1cccnc1 23550159 FHMYXZJSUCPNII-UNMCSNQZSA-N 330.431 5.147 0 50 EKAA CCCCC[C@H]1CC[C@H]([C@H]2CC[C@@H](c3ccc(F)c(F)c3)CC2)CC1 1857777614 YDVUSMRUBCJGAV-HKJRMUSSSA-N 348.521 7.625 0 50 EKAA CCCCCC/C(=C\c1ccccc1)CN1C[C@@H](CO)c2ccccc21 2325817670 KCVNKZOMQSMNLD-CIPTZOQDSA-N 349.518 5.637 0 50 EKAA S=C(NCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 257958 GSZOQVTWBUJWCN-UHFFFAOYSA-N 345.682 5.133 0 50 EKAA Fc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 309493 SZTVOFGHSXWAGK-UHFFFAOYSA-N 326.421 5.673 0 50 EKAA O=C(Nc1nnc(C2CCCCC2)s1)c1csc2ccccc12 372305 HNVZSDFCQJRORY-UHFFFAOYSA-N 343.477 5.053 0 50 EKAA Cc1nn(C)c2nc(-c3cccc4ccccc34)cc(C(F)(F)F)c12 2740980 SCCDDDDBFGOQID-UHFFFAOYSA-N 341.336 5.116 0 50 EKAA COc1ccccc1OCCCCOc1cc(C)ccc1C(C)C 2985857 JMFMDQBEHJFVJU-UHFFFAOYSA-N 328.452 5.365 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(SC(F)(F)F)cc1 3123430 DMXNNBGKCUHSHH-UHFFFAOYSA-N 346.761 5.596 0 50 EKAA CCCCc1cc(=O)oc2c(C)c(OCc3ccc(F)cc3)ccc12 4151887 TZPBRURLVMETKJ-UHFFFAOYSA-N 340.394 5.162 0 50 EKAA CCCC[C@H](CC)C[C@@H](CC)COCCN(CCCC)CCCC 5298612 ZRONTZLCXUMGMO-FCHUYYIVSA-N 341.624 6.538 0 50 EKAA FC(F)(F)c1cc(-c2ccccc2)nc2onc(-c3ccccc3)c12 20605294 HEQKSERIUNNWCI-UHFFFAOYSA-N 340.304 5.576 0 50 EKAA CC[C@H](C)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746264 OBSPBKZYVSXTKV-INIZCTEOSA-N 327.427 5.997 0 50 EKAA in-vitro CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)CCC(C)(C)C2 1875357735 UVMUMDGBWQFMTA-HOCLYGCPSA-N 333.541 5.352 0 50 EKAA Cc1oc2ccccc2c1CCN[C@H](C)c1cccc2ccsc12 2325870231 NYKJFCZRSXRSAH-CQSZACIVSA-N 335.472 5.849 0 50 EKAA Cc1ccnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 372415 IWHUWWSQDDVDFL-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)o1 459436 IZJBLAJMBOVVFG-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA Cc1ccc(Cl)c(OCCCCOc2cccc3cccnc23)c1 2983970 POEARANAGQQIFZ-UHFFFAOYSA-N 341.838 5.435 0 50 EKAA Cc1c(C)c2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O 2994912 JWVSZXZNCIDSGF-UHFFFAOYSA-N 336.431 5.286 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)C 27645441 FCHAVFLICKAOOF-GKFVBPDJSA-N 331.544 6.220 0 50 EKAA in-vitro CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](C)CO 28001432 ADRRUPVKLINJKD-YNLHEVEDSA-N 337.548 5.297 0 50 EKAA in-vitro Cc1cccc(N(C)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1 118624379 WTAKABCOUWAJLW-UHFFFAOYSA-N 342.851 5.049 0 50 EKAA CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)CCC(C)(C)C2 1875357736 UVMUMDGBWQFMTA-ZBFHGGJFSA-N 333.541 5.352 0 50 EKAA Cc1cccc2oc(-c3ccc(NC(=O)c4ccccc4)cc3)nc12 462469 JTJKVQOREWYNHE-UHFFFAOYSA-N 328.371 5.056 0 50 EKAA S=C(NCc1cccs1)Nc1ccc(Oc2ccccc2)cc1 468038 XFSJARZGNKTECN-UHFFFAOYSA-N 340.473 5.027 0 50 EKAA Cc1c(C)c(C)c(CSCCC(=O)c2ccc(F)cc2)c(C)c1C 2531688 DBQFKICVJBYLAP-UHFFFAOYSA-N 344.495 5.874 0 50 EKAA CCCCCCc1ccc(-c2ccc(CCCCCC)s2)s1 2563922 RVQZMWDOMFSYKE-UHFFFAOYSA-N 334.594 7.722 0 50 EKAA Cc1cc(C)c(C)c(OCCCCCOc2cc(C)cc(C)c2C)c1 2880554 RKVFLNHDSOHVMQ-UHFFFAOYSA-N 340.507 6.165 0 50 EKAA OC1=C2C(=Nc3ccccc3S[C@H]2c2ccccc2)c2ccccc21 100369160 JCQXDZORMHGERU-QFIPXVFZSA-N 341.435 5.937 0 50 EKAA COc1cc2c(cc1NC(=O)c1cc(C)cc(C)c1)oc1ccccc12 4722244 IEGFYCRCEHEDBJ-UHFFFAOYSA-N 345.398 5.464 0 50 EKAA C[Si](C)(C)N(c1ccccc1)N(c1ccccc1)[Si](C)(C)C 169818149 KZVGBFZABXRJFE-UHFFFAOYSA-N 328.608 5.584 0 50 EKAA CC(C)c1ccccc1[C@@H]1SCC(=O)Nc2ccc(Cl)cc21 1501056572 RDMUJSJZBYAAEF-SFHVURJKSA-N 331.868 5.238 0 50 EKAA in-vitro Cn1cc2c3c(cccc31)NC=C[C@H]2c1ccc(Br)s1 2084329476 NAYRBKLXIKSHIL-SNVBAGLBSA-N 345.265 5.073 0 50 EKAA O=C(Oc1cccc2cccnc12)N(c1ccccc1)c1ccccc1 107097 ZBBZXRWOENAACT-UHFFFAOYSA-N 340.382 5.572 0 50 EKAA COc1ccccc1O[P@](C)(=O)Nc1ccc(Cl)c(Cl)c1 326092 LOZFSOWEZPKMDT-NRFANRHFSA-N 346.150 5.316 0 50 EKAA O=C(Nc1ccccc1Cl)Oc1ccc(Cl)c2cccnc12 396674 KLNLWKDIPWGVHJ-UHFFFAOYSA-N 333.174 5.153 0 50 EKAA C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 470010 ACAYCMLVJGOTJK-KRWDZBQOSA-N 347.483 5.614 0 50 EKAA COCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 1819102 GERHCRLSJYCTEQ-QGZVFWFLSA-N 336.479 5.033 0 50 EKAA biogenic Clc1ccccc1OCCCCCOc1ccccc1Cl 3106091 GRXFADJDFGGEIM-UHFFFAOYSA-N 325.235 5.622 0 50 EKAA c1cc2c(cc1C13CC4CC(CC(C4)C1)C3)c1c3n2CCN[C@H]3CCC1 3877776 SEZWQWWZHCXHBO-XBESXDPPSA-N 346.518 5.090 0 50 EKAA CC(C)N[C@H](C)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 222295794 TVHVXNWQYKOPHP-XRZHQBHLSA-N 331.931 5.565 0 50 EKAA CC1(C)CC[C@H](NC2(CCOCc3ccccc3)CC2)c2ccccc21 2325765967 BNBAJZNLMBTBMQ-QFIPXVFZSA-N 349.518 5.528 0 50 EKAA CCC[C@H](Nc1cnn(CC)c1)c1ccc(Oc2ccccc2)cc1 2325822154 GPAHAXGISBUTEC-NRFANRHFSA-N 335.451 5.649 0 50 EKAA O=C(Nc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 290665 HZEFCPMPXSPQIF-UHFFFAOYSA-N 330.412 5.216 0 50 EKAA CCc1cc(=O)oc2cc(OCc3c(C)c(C)cc(C)c3C)ccc12 458760 WFGQHRCIUQJATP-UHFFFAOYSA-N 336.431 5.168 0 50 EKAA biogenic CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccco1)Cc1ccccc1 547401 UYKZXKMUDIKYBK-QFIPXVFZSA-N 347.458 5.045 0 50 EKAA C[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@H](C)c1ccccc1 2165415 IXEDUCBVEKEPOB-KDURUIRLSA-N 329.443 5.651 0 50 EKAA CCCCOc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 2968577 QSCSFDANGFNVCU-UHFFFAOYSA-N 338.234 5.425 0 50 EKAA CC(C)N(c1c2c(nc3ccccc13)-c1ccccc1CC2)C(C)C 5498160 DLMPJAPQHGXLSH-UHFFFAOYSA-N 330.475 5.624 0 50 EKAA Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccco1 11880123 QSUQBSMNAVBQGI-JOCHJYFZSA-N 346.405 5.048 0 50 EKAA c1coc(CN(Cc2ccsc2)Cc2cccc3cnccc23)c1 55053854 OAEFIUHEWYSVAI-UHFFFAOYSA-N 334.444 5.092 0 50 EKAA CC[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 456889 ABIGQGYIALWEGE-QFIPXVFZSA-N 345.442 5.398 0 50 EKAA CCc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2c1 615664 BCEYTIBBWJZCOW-UHFFFAOYSA-N 347.336 5.575 0 50 EKAA CCCCOc1ccc(C(=O)Nc2ccc([C@H](C)CC)cc2)cc1 2975243 FZQDGILPVFQBMK-MRXNPFEDSA-N 325.452 5.631 0 50 EKAA C[Si](C)(C)[C@@H](c1ccccc1)n1c2ccccc2c2ccccc21 195798081 DQKNMEGNSUBSAY-QFIPXVFZSA-N 329.519 6.261 0 50 EKAA CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]21C[C@H]1c1ccc(-c2ccccc2)cc1 245255823 LJGRSEJSOKZMJP-TYJFDUFHSA-N 330.471 5.853 0 50 EKAA CCOc1ccccc1NC(=O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 252320694 MAXNMPDTIHONSU-JFGMFMPZSA-N 339.479 5.353 0 50 EKAA CCOc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 363036 WCUNVTDEVXYFSJ-UHFFFAOYSA-N 345.442 5.246 0 50 EKAA COc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1 474529 QCYDWFYGGCMZOU-DTQAZKPQSA-N 345.398 5.139 0 50 EKAA C[C@H]1CCC[C@H](C)N1CCCCn1c2ccccc2c2ccccc21 2024759 WIMYUILTCSIRQN-OALUTQOASA-N 334.507 5.838 0 50 EKAA CCCCCCc1cc(Br)sc1Br 2564813 NSYFIAVPXHGRSH-UHFFFAOYSA-N 326.097 5.396 0 50 EKAA in-vitro c1ccc(-c2ccccc2OCCCCn2cnc3ccccc32)cc1 2868232 IFRRKLZYSHTYAP-UHFFFAOYSA-N 342.442 5.563 0 50 EKAA Cc1cccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1C 3068178 ZLTWUOKTWVCCKI-NRFANRHFSA-N 341.454 5.248 0 50 EKAA Cc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(C)cc3)c2C)cc1 13960499 ICPVYUVZFCZAQA-UHFFFAOYSA-N 338.454 6.132 0 50 EKAA CC1(C)C(C(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)C1(C)C 96032896 UXOFEILQVZFLRH-UHFFFAOYSA-N 349.449 5.694 0 50 EKAA in-vitro CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)cc3)CC2)CC1 2049178261 CYJOKSKCHPPDMU-IFSQOONMSA-N 330.531 7.486 0 50 EKAA Fc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 2325824057 NPPUDFZEMUMFRH-UHFFFAOYSA-N 338.329 5.712 0 50 EKAA COc1ccc(Oc2nc(-c3ccccc3F)nc3ccccc23)cc1 92764 FDTUEHVZZPHQJI-UHFFFAOYSA-N 346.361 5.237 0 50 EKAA O=c1cc(-c2ccccc2)c2ccc(OCc3ccc(F)cc3)cc2o1 123039 OUGRNQUOCHWEQD-UHFFFAOYSA-N 346.357 5.178 0 50 EKAA FC(F)(F)c1cc(-c2cccs2)nc2c(-c3ccccc3)cnn12 454832 RYBHFEYHTQATII-UHFFFAOYSA-N 345.349 5.144 0 50 EKAA CC[C@@H](C)c1ccc(NC(=S)Nc2cccc(C(C)=O)c2)cc1 612028 DWTSZPWGKAVMCC-CYBMUJFWSA-N 326.465 5.212 0 50 EKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc2ccccc12 1006447 JWIJYYNJSCHASS-UHFFFAOYSA-N 331.459 6.339 0 50 EKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc12 1703726 MTNHOZGHNSNVRP-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA CCCCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 2568471 LSRISAFVHKIQRU-UHFFFAOYSA-N 347.458 5.947 0 50 EKAA COc1cc2c(cc1NC(=O)c1ccccc1C)oc1ccccc12 4351431 MXLIFYUNEGWCEU-UHFFFAOYSA-N 331.371 5.155 0 50 EKAA CCC(=O)Oc1cccc2ccc(/C=C/c3ccc(SC)cc3)nc12 4906428 BILZADPSDHBDLG-YRNVUSSQSA-N 349.455 5.443 0 50 EKAA CCCCn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N 100753802 JBVXLGQYXOFCBD-UHFFFAOYSA-N 343.430 5.243 0 50 EKAA CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257346162 STKWRJUKSJWSDX-LHGBJJBYSA-N 346.555 5.987 0 50 EKAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1 177915 IIUBEWBJXFAXJE-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 237729 BQZOKSGAOBHKTO-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Cc1ccc2nc(C)cc(Nc3ccccc3Br)c2c1 256277 PEWMNADCNXTFQR-UHFFFAOYSA-N 327.225 5.358 0 50 EKAA CC(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 542241 GGSOVEFHPWOARX-UHFFFAOYSA-N 348.880 5.200 0 50 EKAA CCN(CC)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 60743 JOTLWXALLXCTLI-UHFFFAOYSA-N 337.250 5.092 0 50 EKAA Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 105934 UQLIEUNBPBHUGP-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1cccc(C)c1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 441427 YKFOZDBGTJLRHA-OAQYLSRUSA-N 347.483 5.776 0 50 EKAA CC(C)CC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 559770 XZEJZPSLACUCEN-UHFFFAOYSA-N 344.867 5.601 0 50 EKAA CC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 1558545 FYUABHFDUHJWOZ-UHFFFAOYSA-N 332.399 5.047 0 50 EKAA in-vitro Cc1c(Cl)cccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4671594 IWIABUQJWGYJEP-UHFFFAOYSA-N 338.234 5.098 0 50 EKAA COc1ccccc1CC(=O)NC1CCCCCCCCCCC1 4845263 IGVOHGHEQTYINX-UHFFFAOYSA-N 331.500 5.027 0 50 EKAA CCCCCC[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 5512517 FZXUXQSWWHWPNU-LSDHHAIUSA-N 326.864 5.318 0 50 EKAA in-vitro CCCCn1cc(C(=O)c2cccc3ccccc23)c2cc(O)ccc21 64858587 JZGAGMUTAYXMMJ-UHFFFAOYSA-N 343.426 5.531 0 50 EKAA in-vitro CC(C)CN(CC(C)C)C(=O)Cc1coc2ccc3ccccc3c12 351946 YOHKNQKBSJXCDT-UHFFFAOYSA-N 337.463 5.269 0 50 EKAA Cc1ccc(NC(=O)N(C2CCCCC2)C2CCCCC2)c(C)c1 2163951 ILPPBFOUTAKNQE-UHFFFAOYSA-N 328.500 5.803 0 50 EKAA CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1O[C@@H]1CCCC(=O)OC 4556733 WTKAVFHPLJFCMZ-FASLYVCMSA-N 332.484 5.292 0 50 EKAA in-vitro Cc1ccc(C)c(Nc2nc(-c3ccccc3O)nc3ccccc23)c1 17179938 UUVMKMGDIFLHMK-UHFFFAOYSA-N 341.414 5.363 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCN([C@@H](C)c2ccccc2)[C@@H]3CCC1 55421506 GNVBGFAKJVJGJT-HTAPYJJXSA-N 330.475 5.404 0 50 EKAA biogenic Cc1cc(CNc2ccc(C)nn2)c2[nH]c(-c3ccccc3)c(C)c2c1 71756842 QKNNJZVKTQUEEZ-UHFFFAOYSA-N 342.446 5.162 0 50 EKAA CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(F)c(F)c3)cc2)CC1 245189293 NQLHGECGZRJQLF-IYARVYRRSA-N 342.473 7.486 0 50 EKAA CCc1ccc(N(CC(C)(C)C)C(=O)c2cc(C(C)(C)C)no2)cc1 1875342917 MWLIFWYNOQOQOS-UHFFFAOYSA-N 342.483 5.227 0 50 EKAA Oc1c(Cl)cccc1-c1ccc(-c2ccccc2C(F)(F)F)o1 2325776832 DBPGEOABJIDKTH-UHFFFAOYSA-N 338.712 5.991 0 50 EKAA CC(C)c1cccc(C(C)C)c1OC(=O)Nc1cccc(Cl)c1 398550 QMJPQGHRZDLSBA-UHFFFAOYSA-N 331.843 6.198 0 50 EKAA O=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 462875 ZPWAZKLBKPENAT-UHFFFAOYSA-N 333.762 5.105 0 50 EKAA Cc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1C 618644 IXZVVNMWPKYYFT-UHFFFAOYSA-N 325.264 5.419 0 50 EKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccccc2)cc1 2031459 RRKSAJNBVGIOBR-UHFFFAOYSA-N 342.225 5.913 0 50 EKAA COc1ccc(-c2ccccc2)cc1NCc1ccc2ccccc2c1 2894040 VXOLELPVNSWLAB-UHFFFAOYSA-N 339.438 6.128 0 50 EKAA CSc1ccc(CNc2cccc(NC(=O)c3ccccc3)c2)cc1 4841096 GYDDHNWUDIUCGQ-UHFFFAOYSA-N 348.471 5.273 0 50 EKAA CC[C@H](Cc1ccccc1Br)N[C@H](C)c1ccccc1 670420459 LDDLOTJIPGLUDU-RHSMWYFYSA-N 332.285 5.121 0 50 EKAA Cc1cc(C)c(NC(=O)COc2ccc(C(C)C)c(C)c2)c(C)c1 142340 RLEONOMOIFAFNQ-UHFFFAOYSA-N 325.452 5.061 0 50 EKAA Cc1cc(C)c(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 295761 SUDTVKVDKDMVSQ-UHFFFAOYSA-N 336.456 5.112 0 50 EKAA Cc1ccc2oc(-c3ccc(NC(=O)Cc4cccs4)cc3)nc2c1 312379 REJOAVPISYGBSB-UHFFFAOYSA-N 348.427 5.046 0 50 EKAA O=C(COc1ccc(Cl)cc1)N(c1ccccc1)C1CCCCC1 398382 PJLJYTPNVSOCMH-UHFFFAOYSA-N 343.854 5.085 0 50 EKAA Cc1cccc(OCc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)c1 466964 VXMPEOCSJXZWLQ-UHFFFAOYSA-N 345.442 5.443 0 50 EKAA CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(C)=O)c3)nc2c1 558163 BFKOGRIIJILMKK-LLVKDONJSA-N 342.826 5.620 0 50 EKAA Cc1cc(C)c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c(C)c1 3059175 GHSHIUOODZYKMW-CVEARBPZSA-N 348.273 5.138 0 50 EKAA CC(C)(C)c1ccc(Cn2ccc3ccc(Cl)cc3c2=O)cc1 4542429 RZWSUERLDBOHOR-UHFFFAOYSA-N 325.839 5.001 0 50 EKAA CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 4912325 JZJWLYUDTGZTKQ-FQEVSTJZSA-N 331.415 5.101 0 50 EKAA Cc1ccc(Nc2nc(-c3c(C)nc4sccn34)cs2)c(C)c1 5587719 WQBKYTNYQUODNU-UHFFFAOYSA-N 340.477 5.188 0 50 EKAA Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1F 13329943 YQIOJLFZWWZDKX-SNVBAGLBSA-N 341.213 5.324 0 50 EKAA COc1cc(/C=C/c2ccc(O)cc2)ccc1/C=C/c1ccc(O)cc1 34946459 FGYNZFHVGOFCMD-KHVHPYDTSA-N 344.410 5.447 0 50 EKAA in-vitro Clc1cccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1 444730 AAOIRRUGPALZTO-UHFFFAOYSA-N 336.847 6.360 0 50 EKAA CSc1ccccc1NC(=O)Nc1cccc(Cl)c1Cl 612149 IXBTWTPJRRXGFV-UHFFFAOYSA-N 327.236 5.359 0 50 EKAA aggregator CC(=O)c1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 4093693 NRQWLDBEVPPRNY-UHFFFAOYSA-N 339.778 5.055 0 50 EKAA c1ccc(Oc2ccc(C3(N4CCCCC4)CCCCC3)cc2)cc1 96026746 NFDPAPMYWGXPAU-UHFFFAOYSA-N 335.491 6.124 0 50 EKAA O=C(c1ccc(NCc2ccc(Cl)s2)cc1)N1CCCCCC1 225587386 KMJYSEYCURIOTF-UHFFFAOYSA-N 348.899 5.030 0 50 EKAA COc1ccc(OC)c([C@@H]2O[C@@H]3CCCC[C@H]3c3sc(C)cc32)c1 242498692 HOBBDLHPRHUDAZ-ZMYBRWDISA-N 344.476 5.220 0 50 EKAA COc1ccc(-c2nnc(-c3sc4ccccc4c3Cl)o2)cc1 318112 MWVZCBSEIZIMGM-UHFFFAOYSA-N 342.807 5.280 0 50 EKAA CC[C@H](C)c1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1 465577 FXFLYGUSKZCHKS-HNNXBMFYSA-N 338.451 5.047 0 50 EKAA Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 1031695 KNQQKKJIUATUAK-NHCUHLMSSA-N 340.470 5.146 0 50 EKAA CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2740799 CHODQEUHUAVCPS-UHFFFAOYSA-N 338.838 5.084 0 50 EKAA O=C(Nc1cc(Cl)cc(Cl)c1)c1csc2c1CCCC2 2759718 MCVNCXCCXUYHIU-UHFFFAOYSA-N 326.248 5.186 0 50 EKAA CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 2971365 HZKJJZNCAHQSRZ-CYBMUJFWSA-N 345.870 5.488 0 50 EKAA COc1ccc(C)cc1NC(=O)c1cccc2c1oc1ccccc12 4783942 YQONFNIGRFMAQI-UHFFFAOYSA-N 331.371 5.155 0 50 EKAA Cc1ccc(-c2nc(CN(C)Cc3sccc3C)c(C)o2)s1 12373208 FODJBCGNMFTOPH-UHFFFAOYSA-N 332.494 5.022 0 50 EKAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)s3)nc21 20605192 DTYCAGIQUSZXGK-UHFFFAOYSA-N 339.386 5.205 0 50 EKAA CCCc1cc(Nc2ccccc2)n2ncc(-c3ccccc3)c2n1 23114887 UWSORAKQGSZUHJ-UHFFFAOYSA-N 328.419 5.092 0 50 EKAA CCOc1ccc([C@@H]2Nc3ccccc3C(CC)(CC)O2)cc1OC 33653 MBESGPPOUMTCCH-HXUWFJFHSA-N 341.451 5.250 0 50 EKAA O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(ccc3ccccc23)N1 35022 OXKAFJDIRGFIAB-HNNXBMFYSA-N 342.225 5.621 0 50 EKAA Cc1cccc(NC(=O)CCc2ccc(-c3cccc(Cl)c3)o2)c1 4541872 ORQJUHCYSDLEBR-UHFFFAOYSA-N 339.822 5.480 0 50 EKAA CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC 4544356 PYVCCFLKWCNDQZ-MURFETPASA-N 336.560 7.143 0 50 EKAA in-vitro COc1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1C 4987227 BQPNJVLQNMEEGC-UHFFFAOYSA-N 345.486 5.249 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 8689960 OVKKNJPJQKTXIT-JLNKQSITSA-N 345.527 5.017 0 50 EKAA endogenous,in-man COc1cc(NCCC2=C(C)CCCC2(C)C)cc(OC)c1OC 23279893 QJSADOOBXGYLGK-UHFFFAOYSA-N 333.472 5.041 0 50 EKAA CC(C)(C)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118915821 XRQMGIQLKOIPKU-NFLIXYCQSA-N 344.539 5.702 0 50 EKAA O=C(Nc1csnc1-c1ccccc1)c1ccc(Cl)cc1Cl 436717912 ILAFLGSQTOCHQB-UHFFFAOYSA-N 349.242 5.369 0 50 EKAA COc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1Cl 467190 NHUZLJDQERFAGK-UHFFFAOYSA-N 337.806 5.268 0 50 EKAA Cc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)c(C)c1 1105720 QNVVJNFUVSCRAX-UHFFFAOYSA-N 329.399 5.384 0 50 EKAA CC(C)Oc1ccc(CNCC[C@H](c2ccccc2)c2ccco2)cc1 1823406 CYRLRIREPUSROD-JOCHJYFZSA-N 349.474 5.379 0 50 EKAA O[C@H](/C=C/c1ccccc1)c1c(C(F)(F)F)cccc1C(F)(F)F 2165509 SUSGERCQQDQHEJ-ATWMFIQVSA-N 346.270 5.471 0 50 EKAA Cc1cc(C)cc(-c2c(C3=NCC(C)(C)O3)ccc3ccccc23)c1 3080690 MNWWWVGRFLAXHT-UHFFFAOYSA-N 329.443 5.679 0 50 EKAA CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC 3214458 TVQZOXZYCFKFJS-UHFFFAOYSA-N 336.431 5.591 0 50 EKAA biogenic Cc1ccc(-c2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 3877596 FJHLQDJTNXOMIY-UHFFFAOYSA-N 347.458 5.179 0 50 EKAA biogenic COC(=O)C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 5273584 LAWJUFPULQZGLF-VAMGGRTRSA-N 326.565 6.625 0 50 EKAA biogenic Cc1noc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 20615680 OXKDUPXWMSXBFT-UHFFFAOYSA-N 336.357 5.018 0 50 EKAA COc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 122389 ZCQFRGKWNAGUGH-SDNWHVSQSA-N 337.463 5.594 0 50 EKAA Nc1cc(-c2ccccc2)nn1-c1c(Cl)cc(Cl)cc1Cl 859784 NIMXCEKDUNWNTC-UHFFFAOYSA-N 338.625 5.082 0 50 EKAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)cc1 2733636 DKAHTUYNJLGOJC-UHFFFAOYSA-N 349.384 5.642 0 50 EKAA CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 2951623 DYUNUYGJNCIPFD-OAQYLSRUSA-N 329.443 5.086 0 50 EKAA Cc1ccc(N(Cc2ccco2)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 4030685 NHRXPFXVQMNCOV-UHFFFAOYSA-N 349.474 5.338 0 50 EKAA COc1ccccc1N1N=C(c2cccs2)C[C@@H]1c1ccccc1 4154939 OPVIXQGOGPJATJ-GOSISDBHSA-N 334.444 5.112 0 50 EKAA aggregator CCC[C@@H](F)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705043 QWKOFFDPSCMXAL-CQSZACIVSA-N 329.459 5.644 0 50 EKAA in-vitro CN(C)c1ccc([C@H](c2ccccc2)[Si](C)(C)C(C)(C)C)cc1 195817102 GDGYDFQZIQRXKG-FQEVSTJZSA-N 325.572 5.932 0 50 EKAA Clc1nc(Cl)c2cc(Cl)c(Br)c(Cl)c2n1 1875389851 XVUHOUSZDLFSIL-UHFFFAOYSA-N 346.826 5.006 0 50 EKAA Cc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 472396 CMYJUABUCMNSBW-UHFFFAOYSA-N 345.320 5.526 0 50 EKAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 612669 XEWZGCSXBVJOCN-ZDUSSCGKSA-N 331.843 5.179 0 50 EKAA Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 2771025 BDAKCFDANYOTOZ-UHFFFAOYSA-N 346.139 5.030 0 50 EKAA Cc1c(C)c2ccc(OCc3ccc(F)cc3Cl)c(C)c2oc1=O 2891921 GNZFAQIGPFQJBX-UHFFFAOYSA-N 346.785 5.090 0 50 EKAA CC(C)(C)c1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 3757143 DDONGYNAKBHELF-UHFFFAOYSA-N 339.822 5.551 0 50 EKAA Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](c2ccccc2)C1 19635385 VYTQJPSKRPQFQA-QGZVFWFLSA-N 338.476 5.091 0 50 EKAA CCCC[C@H](CC)COC(=O)/C=C\C(=O)OC[C@H](CC)CCCC 31357020 ROPXFXOUUANXRR-APTSNVDJSA-N 340.504 5.062 0 50 EKAA in-vitro CCCCCn1nc(C(=O)c2cccc3ccccc23)c2ccccc21 95705111 VAKGBPSFDNTMDJ-UHFFFAOYSA-N 342.442 5.611 0 50 EKAA in-vitro CCOc1cc(Cl)ccc1-c1nnc(-c2cc3ccccc3o2)o1 1875256672 LGXOLCQWSORTCY-UHFFFAOYSA-N 340.766 5.202 0 50 EKAA Cc1ccc2oc(-c3cccc(NC(=O)c4cccs4)c3)nc2c1 452389 GSIYTZJDUPTRPV-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Cl 483840 CHKBAVRSRJNFED-SECBINFHSA-N 344.625 5.053 0 50 EKAA CC(C)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 1085400 AGCFJTYQYGSVRZ-UHFFFAOYSA-N 343.470 5.848 0 50 EKAA Cc1cc2n(n1)[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 1430295 JGGVQEUBXQNEMC-QGZVFWFLSA-N 330.218 5.138 0 50 EKAA CC(C)(C)N(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 2849340 BXIBEDCEBSNAGZ-UHFFFAOYSA-N 331.459 5.210 0 50 EKAA C(=C/c1nc2ccccc2n1CCOc1ccccc1)\c1ccccc1 3909071 SIITZJVEIXYCCD-FOCLMDBBSA-N 340.426 5.286 0 50 EKAA COc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1Cl 5041676 KKPDXKMRAJIFHL-UHFFFAOYSA-N 345.613 5.299 0 50 EKAA CCCC[C@](Sc1ccccc1)(C(C)C)n1nnc2ccccc21 5310177 ZTPCJSCOTLEDBX-FQEVSTJZSA-N 339.508 5.723 0 50 EKAA Cc1ccc(-c2nc(CN(C)[C@@H](C)c3cccs3)c(C)o2)s1 12076002 KJBZGYTXCYWSFO-LBPRGKRZSA-N 332.494 5.274 0 50 EKAA Cc1oc(-c2ccc(F)cc2)nc1CN(C)[C@@H](C)c1cccs1 12299043 FCKJXFCWVPNXDS-LBPRGKRZSA-N 330.428 5.044 0 50 EKAA Fc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)c(F)c1 13321294 AEKYZWLWMRXAFF-UHFFFAOYSA-N 333.190 5.081 0 50 EKAA Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 35360511 CXVIDGGMNLBIKW-FHLIZLRMSA-N 344.252 5.002 0 50 EKAA Cc1ccc(C2=NN3[C@H](C4CCCCC4)Oc4ccccc4[C@H]3C2)cc1 245333823 AWUVGJODILTFKA-GGAORHGYSA-N 346.474 5.445 0 50 EKAA CCCCc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 2774541 JBDRJGYZNGQYPI-AWEZNQCLSA-N 331.843 5.089 0 50 EKAA Cc1ccc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2966949 CQTPBOWZPXDPQM-UHFFFAOYSA-N 349.455 5.518 0 50 EKAA CC1=C[C@H](C)[C@H]([C@H]2Nc3ccccc3C(=O)N2c2ccccc2C)CC1 4183059 QSUPTRRWODEWFH-SVMVAKDDSA-N 346.474 5.386 0 50 EKAA O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccc(Cl)cc1 63097 USUHUPNKUWWDHM-IBGZPJMESA-N 334.806 5.111 0 50 EKAA CCc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 618690 FOLKJRSHHDBQHO-UHFFFAOYSA-N 325.264 5.365 0 50 EKAA CC[C@H](C)c1ccccc1NC(=O)c1ccc(SC)cc1OC 859634 GQTSBDUCVQXAJI-ZDUSSCGKSA-N 329.465 5.183 0 50 EKAA CCCC[C@@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 2350941 PCESVUMMJXHDBT-KUHUBIRLSA-N 344.480 5.164 0 50 EKAA CCCCOc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 2814217 LAWVUMXYDMCDSG-UHFFFAOYSA-N 336.431 5.180 0 50 EKAA Clc1ccc(C2=N[C@H](c3ccccc3)N3[C@@H]2[C@H]3c2ccccc2)cc1 254507773 JTMWJVWEVLMMNX-UIRGVMFGSA-N 344.845 5.267 0 50 EKAA O=C(Nc1ccc(Br)cc1)Nc1ccc2ccccc2c1 184897 LNVXMHJQKQXTLN-UHFFFAOYSA-N 341.208 5.246 0 50 EKAA Cc1ccccc1NC(=S)NC1c2ccccc2Oc2ccccc21 381979 MJYLLFLMJUUUGM-UHFFFAOYSA-N 346.455 5.177 0 50 EKAA Cc1cc(NC(=O)c2cccc3ccccc23)ccc1Br 409093 DOGYJAUWVYIBSP-UHFFFAOYSA-N 340.220 5.163 0 50 EKAA O=C(/C=C/c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl 1738853 CXHYCBMCRQKTNA-VOTSOKGWSA-N 326.610 5.299 0 50 EKAA Cc1cccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C)nn23)c1 21798805 MMKVCWZPJQZYID-UHFFFAOYSA-N 346.409 5.204 0 50 EKAA CCN1/C(=C/C2=CC(=[N+]3CCCCC3)CCC2)C=Cc2ccccc21 685944312 JSBUZISUCPNUFD-UHFFFAOYSA-N 333.499 5.171 0 50 EKAA CCOc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 117655 HEAIGHMEFCUECQ-OQKWZONESA-N 343.426 5.265 0 50 EKAA Cc1c2occ(-c3ccccc3)c2cc2c3c(c(=O)oc12)CCCC3 304369 NMUIPEPEIZBBPU-UHFFFAOYSA-N 330.383 5.393 0 50 EKAA biogenic Cc1cc(Cl)c(OC(=O)Nc2cccc(Cl)c2Cl)cc1C 401881 FDFXSIXKARKKHX-UHFFFAOYSA-N 344.625 5.875 0 50 EKAA Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(Cl)c1 4542744 ZUNREGWEPRDMGP-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA CC(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 5059611 HQEYWLJMKZBNBR-QFIPXVFZSA-N 329.443 5.481 0 50 EKAA FC(F)(F)[C@@H](O[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1 22342336 IRCMZJMLDNJTEV-KBPBESRZSA-N 334.259 5.610 0 50 EKAA CSc1ccc2c(C)cc(NCCCC[C@H]3CCCO3)nc2c1 1529186469 GCCAVFUVCWSNPN-HNNXBMFYSA-N 330.497 5.026 0 50 EKAA COc1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1 609778 UNORDQAYTOKTSM-UHFFFAOYSA-N 334.375 5.132 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2096086 REGNDSGXHQVMRL-UHFFFAOYSA-N 342.225 5.913 0 50 EKAA O=C(CSCc1cccc(Cl)c1)Nc1ccc2ccccc2c1 227092 MTCBTBWLPUDCSK-UHFFFAOYSA-N 341.863 5.365 0 50 EKAA CCc1cccc(C)c1NC(=O)c1cccc(OCc2ccccc2)c1 308261 QTPZVURAAHDMPL-UHFFFAOYSA-N 345.442 5.389 0 50 EKAA O=C(Nc1ccccc1)Nc1nc(-c2ccccc2Cl)cs1 522033 CQILKWHGJDWCDZ-UHFFFAOYSA-N 329.812 5.108 0 50 EKAA CCOc1ccc2ccccc2c1/C=C/c1ccc2cccc(O)c2n1 4140774 NCMYUMSOMJCBLM-BUHFOSPRSA-N 341.410 5.663 0 50 EKAA CC(C)c1ccccc1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 4542098 TZPXJWVOCKVESO-OUKQBFOZSA-N 347.483 6.190 0 50 EKAA CCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cs1 6791615 CASYZUAPMWCMAJ-UHFFFAOYSA-N 333.762 5.235 0 50 EKAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2C)s1 15867020 PMSWYKGYTYOIFW-QGZVFWFLSA-N 328.481 5.514 0 50 EKAA CCc1c(-c2nnc(-c3cc(F)c(F)cc3Cl)o2)csc1C 17071316 IFJGSVAUUSZRTN-UHFFFAOYSA-N 340.782 5.268 0 50 EKAA Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc(F)cc4)c12)CCCC3 95449 OOSNLCPJMPBAKE-UHFFFAOYSA-N 348.373 5.533 0 50 EKAA C[C@H]1CCc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)csc2C1 462708 IELBVEMVLWFUGT-JTQLQIEISA-N 339.382 5.144 0 50 EKAA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccccc2)cc1 1233532 IOVFDNQJFQYTGF-JOCHJYFZSA-N 341.454 5.248 0 50 EKAA Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1886729 MDNSSRMSIUTKIC-UHFFFAOYSA-N 338.234 5.100 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cl)cc3)ccc21 2051795 MMDWFIMMUZUSTO-UHFFFAOYSA-N 348.833 5.720 0 50 EKAA COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 2054188 SHONQSDBLMOXKL-UHFFFAOYSA-N 337.422 6.091 0 50 EKAA Fc1ccc(-c2csc3ncnc(NCCc4ccccc4)c23)cc1 2996659 ILRIHQPWIZTSAR-UHFFFAOYSA-N 349.434 5.152 0 50 EKAA CCCc1c(C(=O)N2c3ccccc3C[C@@H]2C)sc2ccccc12 169867795 GRZTWGRBMHLESJ-AWEZNQCLSA-N 335.472 5.445 0 50 EKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1Cl 433141 CBKKVJORBAKJNR-UHFFFAOYSA-N 347.201 5.209 0 50 EKAA Nc1nc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s1 453345 NQDALBCESAADLV-UHFFFAOYSA-N 328.440 5.726 0 50 EKAA Nc1ncc(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 1387373 DUQOFXCSZLJPAM-UHFFFAOYSA-N 348.258 5.184 0 50 EKAA CCCCOc1ccc(-c2nc3ccccc3c(C(=O)O)c2C)cc1 2088738 DYLOMYCPVCVWBG-UHFFFAOYSA-N 335.403 5.087 0 50 EKAA CCCCOc1ccc(NC(=O)c2ccc(F)c3ccccc23)cc1 2870064 YKXPVXPLHBDXRK-UHFFFAOYSA-N 337.394 5.410 0 50 EKAA CSc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2870730 RZDIHTFVECHBDP-UHFFFAOYSA-N 349.455 5.240 0 50 EKAA CCc1cccc(C)c1NC(=O)c1c(Cl)ccc(Cl)c1OC 4036992 STAPOPLZAWEIQZ-UHFFFAOYSA-N 338.234 5.125 0 50 EKAA CCCN(CCC)C(=O)C[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 4038261 XQPCADCBGDOLFB-VQTJNVASSA-N 345.527 5.014 0 50 EKAA biogenic COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1c1ccccc1 4321100 VFHSFLAMNAAVOM-OAQYLSRUSA-N 346.405 5.190 0 50 EKAA CSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 5481517 CWBUUUHKRWGIGX-UHFFFAOYSA-N 336.526 5.228 0 50 EKAA CC(C)(C)c1cc(NC(=O)c2sc3ccccc3c2Cl)no1 12381602 OZHCDQZAKYVPGR-UHFFFAOYSA-N 334.828 5.093 0 50 EKAA CCOc1ccccc1NC(=O)N[C@@H](CC)c1ccc(Cl)cc1 13328964 KYZFSYKPJMKVLP-HNNXBMFYSA-N 332.831 5.012 0 50 EKAA CCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 19912373 PHWIMVMNWHJCBG-GGAORHGYSA-N 342.442 5.510 0 50 EKAA CC(C)(C)c1ccccc1OCC(=O)Nc1cccc2ccccc12 133664 JUWXNZIJYSJCNJ-UHFFFAOYSA-N 333.431 5.155 0 50 EKAA Clc1ccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 360396 KSDNOZDIVRXZOF-UHFFFAOYSA-N 333.822 5.495 0 50 EKAA Cc1cccc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc12 446119 PYRXAAUHVTZILV-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA COc1ccc(-c2nc3ccccc3n2[C@@H](C)c2ccccc2)cc1 452188 OAAGVFFIXBIKHG-INIZCTEOSA-N 328.415 5.321 0 50 EKAA O=C(CCC1CCCCC1)Nc1cccc(-c2nc3ccccc3o2)c1 613883 ISNSAGGCDQEIHL-UHFFFAOYSA-N 348.446 5.794 0 50 EKAA CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC)c3n2)s1 2732236 VCVTWJZVBWOYLK-UHFFFAOYSA-N 339.386 5.069 0 50 EKAA CC(C)(C)c1ccc(OC(=O)Nc2ccccc2C(F)(F)F)cc1 4797301 ZPYMWHSSVWWQJV-UHFFFAOYSA-N 337.341 5.614 0 50 EKAA CCCCCC[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1C 5512361 FZXUXQSWWHWPNU-CABCVRRESA-N 326.864 5.318 0 50 EKAA in-vitro CCCCn1cc(C(=O)c2c(C)ccc3ccccc23)c2ccccc21 71746305 DRPAIIWSIJRPFH-UHFFFAOYSA-N 341.454 6.134 0 50 EKAA in-vitro Cc1ccc(C)c([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 197188804 XEODHVPTWTZTLA-RWWAEHCESA-N 347.458 5.298 0 50 EKAA O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)c1ccccc1 284830 ZVXIXSZLHOCCPR-UHFFFAOYSA-N 336.822 5.579 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 452169 IXYIEGDMIKIOIO-NSHDSACASA-N 340.275 5.421 0 50 EKAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 474281 CAIDARKGWUMOCY-VIFPVBQESA-N 344.625 5.053 0 50 EKAA N=C1S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 4601074 DFWMMYPJMJQXSD-OUCYFQBSSA-N 348.402 5.035 0 50 EKAA aggregator CC(C)=CCC[C@@H](C)CCN1CCN(c2cccc(Cl)c2)CC1 4980327 HMJREHKHXDHXIL-GOSISDBHSA-N 334.935 5.235 0 50 EKAA Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C)c(-c3ccccc3)c2n1 5516462 WQLZRRLRZFLMGN-UHFFFAOYSA-N 342.446 5.374 0 50 EKAA CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1Cl 16672041 TUYROJGQTNYLSM-JZJYNLBNSA-N 349.286 5.776 0 50 EKAA CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500217 ZSLFGNQZRMYDJQ-CPZYAPRGSA-N 344.539 5.151 0 50 EKAA biogenic Cc1ccc([C@H](C)NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 371693 SCGWOLMYWXYCJX-ZDUSSCGKSA-N 343.879 5.663 0 50 EKAA Cc1c(Cl)c(Cl)c(C)c(Br)c1Br 390984 ITLCAMDULGODQR-UHFFFAOYSA-N 332.850 5.135 0 50 EKAA CCSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 447619 RMWODMGXTCMSLB-UHFFFAOYSA-N 348.880 5.314 0 50 EKAA O=C(CSc1nc2ccccc2o1)c1ccc(Cl)cc1Cl 447818 CTSLVEUIDNZFGV-UHFFFAOYSA-N 338.215 5.110 0 50 EKAA FC(F)c1cccc(N[C@H](CNc2ccccc2)c2ccccc2)n1 1875342117 YIYLYJPOAMSDAJ-GOSISDBHSA-N 339.389 5.285 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1Br 242483 HIYNAYFYKIDTGL-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA COc1ccc(CC[C@H](C)NCc2ccc(Cl)c(Cl)c2)cc1 279821 UVHNUCRTVFKTMB-ZDUSSCGKSA-N 338.278 5.113 0 50 EKAA Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)O 368986 CVKZCFQJEMNKAA-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA COc1ccc(NC(=O)Oc2cccc3ccccc23)c(Cl)c1 400358 ZWJFZZQTDWTSTC-UHFFFAOYSA-N 327.767 5.113 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Cl)c1 458412 QPTJEFHQBNVDBY-UHFFFAOYSA-N 348.151 5.573 0 50 EKAA O=C(/C=C/c1ccccc1Cl)NC(c1ccccc1)c1ccccc1 2951581 HIFDFWKCGQQILP-FOCLMDBBSA-N 347.845 5.259 0 50 EKAA Cc1ccc2occ(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1 4813501 ACSBWFZUQRQLGF-UHFFFAOYSA-N 341.410 5.589 0 50 EKAA CCOc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1 15866969 NYOGIJHWFWLAKC-QGZVFWFLSA-N 344.480 5.296 0 50 EKAA Cc1c(Cl)cccc1NCc1c(Cl)cccc1N1CCCCC1 2325759415 NENUQDXRQQFUGU-UHFFFAOYSA-N 349.305 5.904 0 50 EKAA CCC[C@@H](Nc1cnn(CC)c1)c1ccc(Oc2ccccc2)cc1 2325822155 GPAHAXGISBUTEC-OAQYLSRUSA-N 335.451 5.649 0 50 EKAA Cc1ccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)cc1Cl 315799 BQMHLWXEIKVYLK-UHFFFAOYSA-N 342.826 5.441 0 50 EKAA O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccccc1)c1ccccc1 452262 UKYDYWRABREWDS-HMMYKYKNSA-N 333.818 5.519 0 50 EKAA Clc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 2493792 YDKHHVFBYYSKTM-UHFFFAOYSA-N 345.627 5.227 0 50 EKAA COc1ccccc1OCCCCOc1ccc(Cl)cc1Cl 2904684 LAKOGHNJUFVUAM-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA FC(F)(F)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 3109306 QRRNVDNMXURPNP-UHFFFAOYSA-N 333.397 5.160 0 50 EKAA C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@H]32)C[C@]12CS2 253499799 NQUOVPHNWQLADQ-VSAGWDKDSA-N 334.569 5.122 0 50 EKAA biogenic Cc1ccc(-c2coc3c(C)c4oc(=O)c5c(c4cc23)CCCC5)cc1 95299 OPQRHKHFEPXXNO-UHFFFAOYSA-N 344.410 5.702 0 50 EKAA biogenic CSc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 316186 KYKPHJCLMSKAAI-LLVKDONJSA-N 337.897 5.181 0 50 EKAA CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 432417 WSDINYVMONUDHC-NRFANRHFSA-N 328.415 5.020 0 50 EKAA CCC(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 444529 VXVMLGBRLPVNNR-UHFFFAOYSA-N 335.190 5.150 0 50 EKAA COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2C)cc1Cl 459683 TYZVIVQPAFAMHB-UHFFFAOYSA-N 344.625 5.216 0 50 EKAA CCCOc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 1917336 BUGJUJMQTJMYOA-UHFFFAOYSA-N 339.222 5.426 0 50 EKAA CSc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 2186958 IRQUMMHEBRKISV-UHFFFAOYSA-N 346.499 5.434 0 50 EKAA COc1ccc(-c2cc(N3CCCC[C@H]3C)c3ccccc3n2)cc1 4542562 BMVTZMBNLUGCKC-MRXNPFEDSA-N 332.447 5.289 0 50 EKAA CCCc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1 5048745 SQMZFJICMYAOKJ-UHFFFAOYSA-N 344.458 5.090 0 50 EKAA O=C1CCCCC[C@H]1[C@@H](Nc1ccc2ccccc2c1)c1ccncc1 5395277 AXDLHUVJQAUSML-GGAORHGYSA-N 344.458 5.537 0 50 EKAA CCCCn1c(-c2ccc(F)cc2)cc2cc(Br)ccc21 33559174 BKDCRRHAHLXNRI-UHFFFAOYSA-N 346.243 6.010 0 50 EKAA CC(C)(C)C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccc(F)cc1 1875306769 OWTBNCUNSKHGOP-RTBURBONSA-N 349.877 5.280 0 50 EKAA O=C(Nc1ccc(F)c(Cl)c1)c1sc2ccccc2c1Cl 176158 CDUPBNCHNDLKRZ-UHFFFAOYSA-N 340.206 5.600 0 50 EKAA O=C(CSCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 443945 LZISTQGGUAEUNL-UHFFFAOYSA-N 349.455 5.351 0 50 EKAA Cc1c(OC/C=C/c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 1797624 MTFJGAZOALDYAK-JXMROGBWSA-N 346.426 5.072 0 50 EKAA Cc1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1C 3005584 CTCQXAXRVDVPHK-UHFFFAOYSA-N 347.483 5.848 0 50 EKAA Cc1ncc(CN2CCc3c([nH]c4ccccc34)[C@H]2C(C)(C)C)s1 15064431 KWAZLDUZQRQHJF-IBGZPJMESA-N 339.508 5.078 0 50 EKAA C[C@@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)C(c3cccnc3)=CC[C@H]12 253590517 GZOSMCIZMLWJML-PITFWAOOSA-N 349.518 5.399 0 50 EKAA c1cn2c3c(n1)CCCc3c1cc(C34CC5CC(CC(C5)C3)C4)ccc12 3877695 LZTUBBRVWOASBV-UHFFFAOYSA-N 342.486 5.444 0 50 EKAA CC(=O)Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl 4739327 KSMOELMRRVDVJR-UHFFFAOYSA-N 337.231 5.229 0 50 EKAA CCC[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 25759666 HZISAOWMFZTPIE-UYAOXDASSA-N 340.854 5.400 0 50 EKAA CCCCCC1CCC(c2ccc(C(=O)N3CCOCC3)cc2)CC1 51445180 ABRCJJRBIGVAIO-UHFFFAOYSA-N 343.511 5.013 0 50 EKAA Nc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2 85221158 MQRGCMXCVJPWHI-UHFFFAOYSA-N 333.434 5.632 0 50 EKAA in-vitro Cc1oc2ccc(OCc3ccc(F)cc3)cc2c1C(=O)OC(C)C 407924 YLCMPPSYMREKIC-UHFFFAOYSA-N 342.366 5.025 0 50 EKAA biogenic Cc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1Cl 453674 JHTPBQCIGHEBRD-NSHDSACASA-N 340.275 5.421 0 50 EKAA O=C(Cc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 581606 CGVQCFORLBCADX-UHFFFAOYSA-N 337.806 5.314 0 50 EKAA COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccccc1 616892 GQAUHVXMFCRAFV-UHFFFAOYSA-N 347.458 5.503 0 50 EKAA CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(Cl)cc1 1016982 BSBKSKPHJAZVEO-UHFFFAOYSA-N 345.870 5.604 0 50 EKAA CCC[C@H](C)c1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 1049193 SJLRNIPBXUYEFH-QMMMGPOBSA-N 344.267 5.001 0 50 EKAA CC1CCN(CCCCOc2c(Cl)ccc3ccccc23)CC1 2957913 QHMXWTKXNFKGPO-UHFFFAOYSA-N 331.887 5.384 0 50 EKAA Fc1ccc([C@](c2ccccc2)(c2ccccc2F)n2ccnc2)cc1 3799012 QHMWCHQXCUNUAK-JOCHJYFZSA-N 346.380 5.002 0 50 EKAA biogenic,world C[C@H](NC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl 13330005 KSTDEKAHHHHLQZ-VIFPVBQESA-N 343.641 5.530 0 50 EKAA CCOc1ccccc1NC(=O)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 725447176 MAXNMPDTIHONSU-WGMWDUQUSA-N 339.479 5.353 0 50 EKAA O=[N+]1C(=C2C=Cc3ccccc3N2O)C=Cc2c1ccc1ccccc21 1857524796 MUNRMNZQCNNVEA-UHFFFAOYSA-N 339.374 5.411 0 50 EKAA Fc1ccc(Cn2c(-c3cscn3)nc3ccccc32)c(Cl)c1 172516 QXUWSKAPXVQYOC-UHFFFAOYSA-N 343.814 5.001 0 50 EKAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 318105 CDNKBGZVTHLQOV-UHFFFAOYSA-N 341.769 5.524 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)Nc1cc(Cl)c(Cl)cc1C 399902 SFEFAHBXZIVBHC-UHFFFAOYSA-N 343.641 5.908 0 50 EKAA CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2[C@@H](C)CC)cc1 620060 GTAGMEKDAMNLRR-HNNXBMFYSA-N 338.451 5.191 0 50 EKAA CC(C)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 10337187 ZSHCGUMRJJHLHU-UHFFFAOYSA-N 336.479 5.048 0 50 EKAA c1ccc([C@@H]2[C@H]3CCCC[C@@]3(N3CCCC3)ON2c2ccccc2)cc1 169621024 SQSXAQLOKCEYPF-DNVJHFABSA-N 348.490 5.162 0 50 EKAA CCSc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)on1 1857800545 DEEYMJUXQUUJFA-UHFFFAOYSA-N 338.432 5.014 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)NCCC3=CCCCC3)sc2c1 475650 PDUPVVNXEWBSFH-UHFFFAOYSA-N 333.884 5.483 0 50 EKAA Clc1ccc(OCCCCCOc2ccc(Cl)cc2)cc1 2880403 RFABABBPENSJTM-UHFFFAOYSA-N 325.235 5.622 0 50 EKAA Fc1ccccc1Oc1ncccc1CNCc1cc2ccccc2o1 11874690 WUZKVILPQWNYPB-UHFFFAOYSA-N 348.377 5.049 0 50 EKAA CSc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1 13320139 YRVMECOVUYXAEY-UHFFFAOYSA-N 348.471 5.320 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)c(Cl)c1 64985035 UCVRTPWNSLHVIX-INIZCTEOSA-N 347.846 5.129 0 50 EKAA CCc1ccc(-c2n[nH]c(SCc3cc4ccccc4o3)n2)cc1 1875279485 OALNTTIHMZXCLP-UHFFFAOYSA-N 335.432 5.073 0 50 EKAA CC(C)(C)c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325823777 DUDUHRBMIHCLKI-UHFFFAOYSA-N 326.440 5.990 0 50 EKAA CCC[C@@H](C)c1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 1049192 SJLRNIPBXUYEFH-MRVPVSSYSA-N 344.267 5.001 0 50 EKAA Cc1cccc(C(=O)Nc2ccc(NCc3ccc(C)s3)cc2)c1 4841352 AUQQFPKCIJMVFQ-UHFFFAOYSA-N 336.460 5.229 0 50 EKAA CC(C)CCCCCCCCCCCCCCC(=O)OC[C@@H](C)O 5758001 BJRXGOFKVBOFCO-HXUWFJFHSA-N 342.564 6.028 0 50 EKAA Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 6338257 RSBTZIRWFSTYRT-IFMALSPDSA-N 344.389 5.068 0 50 EKAA Cc1c(Cl)cccc1NC(=O)N1CCCCC[C@H]1c1cccs1 15867050 RQFAZDZFQXTUNN-INIZCTEOSA-N 348.899 5.859 0 50 EKAA Cc1ccc(Cl)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 16185486 WIAFFUVTBARZQK-UHFFFAOYSA-N 344.789 5.476 0 50 EKAA CCCCCCc1ccsc1-c1sccc1CCCCCC 96023965 RQHMOXZEVWCNMG-UHFFFAOYSA-N 334.594 7.722 0 50 EKAA in-vitro Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4F)c3)nc2c1 192459 IBKAQGZWBGJWHV-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA CC(C)C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 452449 JWQCXFOMHFCALQ-UHFFFAOYSA-N 349.217 5.396 0 50 EKAA O=C(Nc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1 858684 SZNDYPYOMPYSGG-UHFFFAOYSA-N 337.806 5.171 0 50 EKAA COc1ccc(-c2nc(N)sc2Sc2ccc(Cl)cc2)cc1 1393589 UVCUBQUPKRTNTD-UHFFFAOYSA-N 348.880 5.206 0 50 EKAA CCCCc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 1778447 AZLDACOETHRJDQ-UHFFFAOYSA-N 337.492 5.656 0 50 EKAA O=C(OCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 2840458 RGIXAHGFJQNWJJ-UHFFFAOYSA-N 336.818 5.215 0 50 EKAA Cc1ccc(-c2c(-c3ccccc3)ncn2[C@H](C)Cc2ccncc2)o1 65497448 RMDONRMQQLNXDI-MRXNPFEDSA-N 343.430 5.317 0 50 EKAA CC[C@@H](C)c1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1 2325823692 ARIHDHFNMZAGLY-GFCCVEGCSA-N 343.883 5.538 0 50 EKAA Cc1ccccc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 18188 CFKYFEHMDJSELT-UHFFFAOYSA-N 344.773 5.003 0 50 EKAA CCC(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C 169579 WIWBOZLSBXSLET-UHFFFAOYSA-N 335.519 5.506 0 50 EKAA Clc1cccc(Cn2c(COc3ccccc3)nc3ccccc32)c1 2879224 SRPWJRZHBHLDPB-UHFFFAOYSA-N 348.833 5.317 0 50 EKAA C(=C/c1nc2sc(/C=C/c3ccccc3)nc2s1)\c1ccccc1 3997592 YTBMPGXGGRFYPC-PHEQNACWSA-N 346.480 6.094 0 50 EKAA Cc1c(Cl)cccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 4542033 VYABCRNHUWJXID-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA Cc1nn(-c2ccccc2F)c2nc(-c3ccco3)cc(C(F)F)c12 20603504 BFJMBZUTHXRXML-UHFFFAOYSA-N 343.308 5.066 0 50 EKAA Cc1nc(Oc2cccc3ccccc23)c2c3c(sc2n1)CCC3 89466 QGXCQVPYDIQUQR-UHFFFAOYSA-N 332.428 5.434 0 50 EKAA Brc1cccc2c1oc1c(Br)cccc12 4557336 XSJLDNSNUICSQC-UHFFFAOYSA-N 325.987 5.111 0 50 EKAA in-vitro COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2C)cc1 4844368 RLRUNTJZILZSNW-HSZRJFAPSA-N 342.442 5.359 0 50 EKAA CCCC(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl 174681 DJLKRFKHWXNAQS-UHFFFAOYSA-N 328.799 5.195 0 50 EKAA CCc1cc(=O)oc2c(C)c(OCc3ccc4ccccc4c3)ccc12 306077 DHOUKSJIAXDTLC-UHFFFAOYSA-N 344.410 5.396 0 50 EKAA Cc1cc(F)c(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl 2864480 BWNZDUCPPBFBPM-UHFFFAOYSA-N 349.686 5.198 0 50 EKAA COc1ccc(-c2ccccc2)cc1NCc1ccc(C(C)C)cc1 2894066 DSFQRCPUXXUUIX-UHFFFAOYSA-N 331.459 6.098 0 50 EKAA CCCOc1ccc(OCCSc2nc3ccccc3s2)cc1 2975747 IBMDJQZYRLPPPZ-UHFFFAOYSA-N 345.489 5.256 0 50 EKAA O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 65354328 BSOHEQFDBYSARF-UHFFFAOYSA-N 335.108 5.377 0 50 EKAA in-vitro COc1ccc(NC(=O)Oc2ccc(C3CCCCC3)cc2)cc1 401546 IWRDQGHGLZUBGC-UHFFFAOYSA-N 325.408 5.354 0 50 EKAA Cc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 456963 KNUOYKSJKQYUFY-FQEVSTJZSA-N 333.456 5.467 0 50 EKAA CN(Cc1ccccc1)C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 2817466 IIULYEZIUVGRAU-UHFFFAOYSA-N 337.507 5.554 0 50 EKAA CC(C)(C)c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 2985102 XJLNHYKMFCWZII-UHFFFAOYSA-N 347.911 5.160 0 50 EKAA Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4257776 FLLMUYQTLMOVFC-GMAHTHKFSA-N 340.426 5.237 0 50 EKAA CCCCCc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 5951442 LXXYOLQMLRMJEQ-UHFFFAOYSA-N 332.447 6.217 0 50 EKAA CCC(C)(C)C1CCC(NC(=O)Nc2cccc(SC)c2)CC1 13320044 APYOZQXHZXPJHL-UHFFFAOYSA-N 334.529 5.525 0 50 EKAA CC1(C)CCCc2c(N3CCC[C@@H]3c3cccs3)nc(Cl)nc21 1875330645 XECDAEWIAWEOFM-CYBMUJFWSA-N 347.915 5.147 0 50 EKAA Cc1cccc(C)c1NC(=O)c1ccc(CSc2ccccc2)cc1 443482 XJLDBZNXQGMJFA-UHFFFAOYSA-N 347.483 5.848 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1Cl 452547 WTHGOXNPVWIRRG-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA FC(F)(F)c1cnc(SC[C@H]2CC2(Cl)Cl)c(Cl)c1 1385668 GMSPZAKAUZKINW-ZCFIWIBFSA-N 336.593 5.040 0 50 EKAA CCCCOc1ccc(C(=O)Nc2ccc(C(=O)CCC)cc2)cc1 5590979 KYYRUQPHYUFBTM-UHFFFAOYSA-N 339.435 5.101 0 50 EKAA CCCCCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 17920516 DDHPIIJLIXBOKQ-MGAZVUHYSA-N 339.523 5.221 0 50 EKAA COc1cccc(-c2ccnc3c(-c4cccc(Cl)c4)c(C)nn23)c1 71376191 FELSPCSVRBGXNO-UHFFFAOYSA-N 349.821 5.034 0 50 EKAA CCCCCCC1(CCCCCC)c2ccccc2-c2ccccc21 96029530 LQQKFGSPUYTIRB-UHFFFAOYSA-N 334.547 7.894 0 50 EKAA in-vitro Cc1cc(-c2ccccc2CO)ccc1OCc1ccc(Cl)cc1 1875359820 QRBWIOWNHNQENA-UHFFFAOYSA-N 338.834 5.387 0 50 EKAA C[C@H](N[C@@H](C)c1csc2ccccc12)c1cccc(-n2cccn2)c1 2325877981 ATZZDUROECFBCD-HOTGVXAUSA-N 347.487 5.499 0 50 EKAA CC(=O)N1c2cc(C)c(C)cc2-c2c(ssc2=S)C1(C)C 169568 XHNZLCLEAKWWPV-UHFFFAOYSA-N 335.519 5.425 0 50 EKAA Cc1ccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)c(C)c1 1057340 XZKDHISVQOWYGM-UHFFFAOYSA-N 339.438 5.483 0 50 EKAA Cc1c2oc(=O)cc(-c3ccccc3)c2cc2c(C(C)(C)C)coc12 2151932 FTFRPWQJEWTVOO-UHFFFAOYSA-N 332.399 5.812 0 50 EKAA biogenic Cc1ccc(C)c(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)c1 15866996 CMLDZTHOTXPEOI-SFHVURJKSA-N 342.508 5.823 0 50 EKAA C[C@@](O)(c1ccc2c(c1)Cc1ccccc1-2)c1ccc2ncccc2c1 23550231 YQXYCCMBCISNFJ-XMMPIXPASA-N 337.422 5.062 0 50 EKAA C1=C(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1 71784948 HPSBBDGPOWEYOI-UHFFFAOYSA-N 344.457 6.466 0 50 EKAA CC(C)(C)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71789396 GJHGLAADYQQJTA-UHFFFAOYSA-N 327.427 5.781 0 50 EKAA in-vitro O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 98086104 LKSDNMBLUNNMGR-UHFFFAOYSA-N 334.029 5.726 0 50 EKAA CC(F)(F)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 257345910 MVEPLWKMZCHUJS-VDMKTYGSSA-N 338.482 5.870 0 50 EKAA Cc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1F 572711 IAWNRNMQSFRBNF-UHFFFAOYSA-N 346.405 5.111 0 50 EKAA CC(C)N(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 1752691 ZTXLPUGONPOGIG-UHFFFAOYSA-N 328.378 5.280 0 50 EKAA Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cccc2c1C(=O)O 2526098 ULBAOSPTEYDMEE-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA Cc1cc(C)c(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c(C)c1 3059173 GHSHIUOODZYKMW-HZPDHXFCSA-N 348.273 5.138 0 50 EKAA CC(C)(C)c1cc(C[C@@]2(O)CCCCCCC2=O)cc(C(C)(C)C)c1 43199232 AAYVGYMRUPZZGX-QHCPKHFHSA-N 344.539 5.479 0 50 EKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC 71404817 VWHAHPVYEMPWTO-JEBPEJKESA-N 330.512 6.471 0 50 EKAA in-vitro COc1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1OC 71770090 HASSZFMHJAMNQN-UHFFFAOYSA-N 329.399 5.519 0 50 EKAA CC(C)(C)OC(=O)CCCCCCCCCCCCCC(=O)O 114086467 BDHAQLJDYZFGNC-UHFFFAOYSA-N 328.493 5.484 0 50 EKAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cccc(CC2CCC2)c1 2325841954 KTXVHHYOUYRWMA-NRFANRHFSA-N 337.507 5.734 0 50 EKAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1Cl 74916 ZAZLXICGMORZFJ-UHFFFAOYSA-N 348.789 5.401 0 50 EKAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccco1 186138 YVMHMDVVQAMVPJ-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA COc1ccc(NC(=O)Oc2ccc(Cl)cc2Cl)c(Cl)c1 400348 SJNAYFHFZIRROB-UHFFFAOYSA-N 346.597 5.266 0 50 EKAA Cc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 449851 GPCPTPWAXHYTPZ-UHFFFAOYSA-N 347.258 5.285 0 50 EKAA CCCCCCc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 2023217 BWDPOEZGPVQACK-UHFFFAOYSA-N 331.459 6.215 0 50 EKAA CC(C)Oc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2266631 QYBGBOVBJXRVSW-UHFFFAOYSA-N 333.218 5.391 0 50 EKAA CN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CCCCC1 2893790 RPYHKYNBJMGYMW-UHFFFAOYSA-N 331.544 5.752 0 50 EKAA Oc1cccc2ccc(/C=C/c3ccc(OC4CCCC4)cc3)nc12 4349522 AIQRXNDHSOVNJM-XYOKQWHBSA-N 331.415 5.432 0 50 EKAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(C)(C)C)cc1 4832141 JUMGEHPJRKXINQ-HNNXBMFYSA-N 327.493 5.412 0 50 EKAA COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C(C)(C)C)cc1 145302 QEULLHGJMJFMDK-UHFFFAOYSA-N 331.843 5.207 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 453529 QECCVQAZTBENBF-LLVKDONJSA-N 340.275 5.421 0 50 EKAA Cc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 466795 WJUKDQODQBDMOM-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA CCN(CC)c1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 611495 FIKAWUUCAGJRNP-UHFFFAOYSA-N 347.915 5.304 0 50 EKAA O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1c1ccccc1Cl 1128222 PWXSKLKHQWNKKG-FLIHGVEMSA-N 341.819 5.137 0 50 EKAA Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 1752700 SBBWMXLQSVTJKI-UHFFFAOYSA-N 328.721 5.311 0 50 EKAA Cc1ccc2cccc(OCCCSc3ccc(Cl)cc3)c2n1 2825204 MNTSICUIDWSZCM-UHFFFAOYSA-N 343.879 5.758 0 50 EKAA COc1cccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)c1 15866964 NHTSRFWWIFRBKA-KRWDZBQOSA-N 344.480 5.214 0 50 EKAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc3cccnc23)o1 170634627 BHLACXSKMRURFL-SFHVURJKSA-N 349.434 5.285 0 50 EKAA COCCCn1cc(-c2cccc(Oc3ccc(Cl)cc3)c2)cn1 1875340188 PNVDYDVRPOFMEA-UHFFFAOYSA-N 342.826 5.032 0 50 EKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1Br 239723 IMNZUZHYXSKICV-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA O=C(Nc1ccc(F)c(Cl)c1)C(c1ccccc1)c1ccccc1 310622 BKECELWVLNVRHW-UHFFFAOYSA-N 339.797 5.250 0 50 EKAA CCCCC1CCC(C(=O)Nc2ccc(OC(F)F)cc2)CC1 2866577 XEBDPTYDKGBYKM-UHFFFAOYSA-N 325.399 5.223 0 50 EKAA Cc1c(Cl)cccc1NC(=O)Nc1cccc2c(O)cccc12 4771200 KCILLJQJMZVBJN-UHFFFAOYSA-N 326.783 5.151 0 50 EKAA Cc1ccc(-c2cc(C(=O)OC(C)C)c3cc(Cl)ccc3n2)cc1 457837 IHOUTDXCSJEHOI-UHFFFAOYSA-N 339.822 5.429 0 50 EKAA Cc1c(Cl)cccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 2852926 IKZOOPJEYOUFLZ-UHFFFAOYSA-N 344.720 5.191 0 50 EKAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)CCCC(C)C 2988917 KLDZDYSYZKOTBA-CYBMUJFWSA-N 348.874 5.248 0 50 EKAA Cc1ccc(C2=NN(c3ccc(F)cc3)[C@H](c3cccs3)C2)cc1 4614033 WTFBTLQTCNPFBJ-IBGZPJMESA-N 336.435 5.551 0 50 EKAA CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OC1CCCC1 5027717 RADSJPRCJFJBAC-QGZVFWFLSA-N 339.479 5.258 0 50 EKAA Cc1cc(Nc2ccc(C(C)C)cc2)n2ncc(-c3ccccc3)c2n1 5516333 LOVUTYGKQGWLQS-UHFFFAOYSA-N 342.446 5.572 0 50 EKAA CCc1cc(C(=O)N[C@@H](CC)c2ccc([C@H](C)CC)cc2)cs1 20607064 VAXFPBQRSMBKSV-KUHUBIRLSA-N 329.509 5.705 0 50 EKAA O=C(Nc1ccc2scnc2c1)N1CCCCC[C@@H]1c1ccco1 172411615 SYJKNTWRRRIOOE-OAHLLOKOSA-N 341.436 5.039 0 50 EKAA CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1 133791 DOOXMRPLHOPLIW-UHFFFAOYSA-N 329.705 5.110 0 50 EKAA Cc1ccc(-c2[nH]c(-c3ccccc3O)nc2-c2ccccc2)cc1 309016 UNBYWCXWLYVLTB-UHFFFAOYSA-N 326.399 5.425 0 50 EKAA Cc1ccc(NC(=O)Oc2ccc(Cl)c3cccnc23)cc1Cl 396692 ZHBHHTPLJMLJAF-UHFFFAOYSA-N 347.201 5.461 0 50 EKAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 475624 ADXHINMRKYKSDW-VIFPVBQESA-N 344.625 5.053 0 50 EKAA Cc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1 530136 PGJNDHITQCSJLB-UHFFFAOYSA-N 332.428 5.830 0 50 EKAA Cc1cc(C)c(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1C 2700422 YHNRTYPHRLHITQ-UHFFFAOYSA-N 347.439 5.509 0 50 EKAA CCCCc1ccc(-c2nnc(-c3ccc(CCCC)cc3)nn2)cc1 2837533 OXYBXBFVDYVRPZ-UHFFFAOYSA-N 346.478 5.286 0 50 EKAA O=C(Cc1cccc2ccccc12)N[C@H](c1ccccc1)C1CCCC1 2849120 MMQSIRAWAYWGKH-XMMPIXPASA-N 343.470 5.430 0 50 EKAA CCCC[C@H](CC)CO[C@@]1(c2ccccc2)OC(=O)c2ccccc21 4117617 FPODYPBWBOOAMT-JTSKRJEESA-N 338.447 5.291 0 50 EKAA Cc1csc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 10554616 LDYJYXUKPSWBIC-UHFFFAOYSA-N 343.260 5.225 0 50 EKAA COc1ccc(/C=C(/C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 16156266 FYZWCOYIICPFRI-RCCKNPSSSA-N 347.389 5.014 0 50 EKAA CC[C@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1ccsc1 65381264 QDSBOJMPVGJIRA-QGZVFWFLSA-N 348.475 5.012 0 50 EKAA Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 469665 OHAUAPFVKABURA-LBPRGKRZSA-N 339.382 5.133 0 50 EKAA CC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)Cc1ccccc1 547402 UYKZXKMUDIKYBK-JOCHJYFZSA-N 347.458 5.045 0 50 EKAA CC[C@@H](C)c1ccc(NC(=S)Nc2ccccc2SC)cc1 611951 SFQQADUKBLKZKF-CYBMUJFWSA-N 330.522 5.731 0 50 EKAA Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)cc1 3123664 XMGRUKCVUYLTKU-UHFFFAOYSA-N 348.489 7.613 0 50 EKAA Brc1ccc2oc3ccc(Br)cc3c2c1 4127664 UFCZRCPQBWIXTR-UHFFFAOYSA-N 325.987 5.111 0 50 EKAA in-vitro c1ccc(-c2nnc(-c3ccc4noc(-c5ccccc5)c4c3)o2)cc1 11692898 TWYXMZNKLOOUCR-UHFFFAOYSA-N 339.354 5.212 0 50 EKAA COc1ccc(-c2ccccc2)cc1N[C@H](C)CCc1ccc(O)cc1 23549739 UKJYCMSROOKTAN-QGZVFWFLSA-N 347.458 5.501 0 50 EKAA CC(C)(C)N[C@H]1C=C(c2ccccc2)Sc2nc3ccccc3n21 675010686 VVAJEIQXCKEXEN-GOSISDBHSA-N 335.476 5.070 0 50 EKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1ccccc1F 2141410 HZWPRODXRDKQLO-UHFFFAOYSA-N 333.668 5.109 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N(C1CCCCC1)C1CCCCC1 2163954 HWCLCVDGSVXZQP-UHFFFAOYSA-N 348.918 6.148 0 50 EKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(C(C)(C)C)cc1 2597268 JYTTYVHHAJRKCB-UHFFFAOYSA-N 337.507 6.483 0 50 EKAA O=C(CSc1cccc2cccnc12)c1ccc(Cl)cc1Cl 2939435 IAVBZSIBIOEVHS-UHFFFAOYSA-N 348.254 5.517 0 50 EKAA CC(C)=CCOc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 2983364 TWQSLBYGQHBMJM-UHFFFAOYSA-N 334.415 5.037 0 50 EKAA biogenic O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1cccnc1 5065452 JTBPQCSRFUMUMH-UHFFFAOYSA-N 340.835 5.139 0 50 EKAA CC(C)(C)N1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 33639149 UIPXASUPMLVUNE-UXHICEINSA-N 343.898 5.319 0 50 EKAA c1ccc(C[C@H]2[C@@H]3[C@@H]4CC[C@H]5[C@@H]4[C@@H]4[C@@H]3[C@@H]3[C@H]2[C@@H]2CC[C@H]6[C@H]5[C@H]4[C@H]3[C@H]62)cc1 257359117 YNVBYFVPGWTHNA-IXSAFBHXSA-N 342.526 5.141 0 50 EKAA O=C(NC1CCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 443645 VKEMCVVZSIZUGL-UHFFFAOYSA-N 345.895 5.305 0 50 EKAA C[C@H](O)CCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12 25761990 SBKRHUPINGVXMB-JTQLQIEISA-N 336.218 5.115 0 50 EKAA CC(C)(C)P(c1cc2ccccc2n1-c1ccccc1)C(C)(C)C 38330137 HDZRDZCQFYUOHE-UHFFFAOYSA-N 337.447 6.335 0 50 EKAA in-vitro CC[C@@H](Cc1ccccc1Br)N[C@H](C)c1ccccc1 670420458 LDDLOTJIPGLUDU-PBHICJAKSA-N 332.285 5.121 0 50 EKAA Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1C 149118 GUWAFMQZVGXIFA-UHFFFAOYSA-N 342.851 5.333 0 50 EKAA O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2s1 369580 RYISEICECOQSFA-UHFFFAOYSA-N 338.219 5.247 0 50 EKAA Cc1ccc2nc(-c3ccc(OC(C)C)cc3)c(C)c(C(=O)O)c2c1 1457180 CSHQOSLLLYTGCE-UHFFFAOYSA-N 335.403 5.004 0 50 EKAA CC(C)(C)c1cc(C(=S)NC2CCCCC2)cc(C(C)(C)C)c1O 2893305 HAFHBGQTQVLWQB-UHFFFAOYSA-N 347.568 5.585 0 50 EKAA biogenic Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](c2ccccc2)C1 19635388 VYTQJPSKRPQFQA-KRWDZBQOSA-N 338.476 5.091 0 50 EKAA Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)cc1 36621224 HGZUVYHRSATSCN-SFHVURJKSA-N 328.843 5.326 0 50 EKAA CCC[C@H]1CCCN1C(=O)c1ccc(-c2cccc3cccnc23)cc1 584893822 PYFHQCZRJVGXLU-FQEVSTJZSA-N 344.458 5.307 0 50 EKAA Cc1ccc(C(=O)c2oc3c(C)c4oc(=O)cc(C)c4cc3c2C)cc1 78446 PQTLHXOLLNKZIE-UHFFFAOYSA-N 346.382 5.004 0 50 EKAA COc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 316775 ZKJBAXKMFZMTHC-UHFFFAOYSA-N 348.427 5.530 0 50 EKAA aggregator Cc1ccc(-c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)cc1 455192 AJIBCSUGYJWBIY-UHFFFAOYSA-N 333.357 5.021 0 50 EKAA CC(=O)Nc1ccc2nc(SCc3cccc(Cl)c3)sc2c1 617815 LIQFVSYNRPDHMQ-UHFFFAOYSA-N 348.880 5.200 0 50 EKAA CCCOc1ccc(N[P@@](C)(=O)Oc2cc(C)cc(C)c2)cc1 1849977 DLGVLWOIPBEZRC-QHCPKHFHSA-N 333.368 5.406 0 50 EKAA Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1 2521624 SXZSFWHOSHAKMN-UHFFFAOYSA-N 326.437 6.621 0 50 EKAA biogenic,in-vitro CC(C)Oc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526042 BZRHUKNOOHOGPP-UHFFFAOYSA-N 341.794 5.041 0 50 EKAA O=C(Nc1c(Cl)cccc1Cl)c1ccccc1-c1ccccc1 2874795 ORIFLOYQENQDTH-UHFFFAOYSA-N 342.225 5.913 0 50 EKAA CCCCOc1ccc2c3c(c(=O)oc2c1OCCCC)CCCC3 2994039 JMMJCEPBCCJWPV-UHFFFAOYSA-N 344.451 5.030 0 50 EKAA CC1(C)Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 5500005 CQZCJPSQSMQXFL-FQEVSTJZSA-N 328.415 5.119 0 50 EKAA c1ccc(P(C2CCCCC2)C2CCCCC2)c(C2OCCO2)c1 25757743 DIFRDTMQEINUSG-UHFFFAOYSA-N 346.451 5.505 0 50 EKAA CCCCOc1ccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)cc1 6042722 UBQRMHYPPAMPAU-UHFFFAOYSA-N 349.430 5.396 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)CC(c1ccccc1)c1ccccc1 362508 XDMWZIDRWZFRED-UHFFFAOYSA-N 349.861 5.809 0 50 EKAA O=C(Nc1ccccc1)c1cc(-c2cccs2)nc2ccccc12 478364 BFEPZCVODQNNTA-UHFFFAOYSA-N 330.412 5.216 0 50 EKAA Cc1cccc(OCCOCCn2c3ccccc3c3ccccc32)c1 2988861 YXIPTHDQZVCFAQ-UHFFFAOYSA-N 345.442 5.199 0 50 EKAA c1ccc(COc2ccccc2CNC23CC4CC(CC(C4)C2)C3)cc1 4954813 XFKBVJQHKPASKP-UHFFFAOYSA-N 347.502 5.324 0 50 EKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1C1(CCCCC1)O2 5716111 ICKWCUODSWBVCO-INIZCTEOSA-N 342.826 5.137 0 50 EKAA CC/C=C\C[C@H](O)/C=C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)O 27643291 SWTYBBUBEPPYCX-BXCUTBNQSA-N 344.495 5.520 0 50 EKAA in-vitro COc1c(Cl)cc(-c2cccc(-c3ccncc3)c2)c2ncccc12 1875352957 HAXXQFZBNOGVGB-UHFFFAOYSA-N 346.817 5.626 0 50 EKAA CC(C)C1CCC([C@@](C)(O)CNCc2csc3ccccc23)CC1 2325842360 WAUFOYWVUIFQGX-IAYYMHMVSA-N 345.552 5.204 0 50 EKAA CCCC(=O)Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 528882 WUFHOCCXSYIQAD-UHFFFAOYSA-N 344.458 5.704 0 50 EKAA COc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1OC 610965 NHZCMSUDCJDWNW-UHFFFAOYSA-N 348.402 5.015 0 50 EKAA CCc1ccc(OCCCC(=O)Nc2cccc(Cl)c2C)cc1 1773466 ZVJQQHTYSZEXDB-UHFFFAOYSA-N 331.843 5.009 0 50 EKAA Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 15162561 KNQQKKJIUATUAK-OYRHEFFESA-N 340.470 5.146 0 50 EKAA CSc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 399703 MPRJNLUIFYOTIY-UHFFFAOYSA-N 327.236 5.359 0 50 EKAA c1ccc(-c2cc(-c3c[nH]c4ccccc34)cc(-c3ccccc3)n2)cc1 2901303 MXCKQYFPMKFVQZ-UHFFFAOYSA-N 346.433 6.564 0 50 EKAA CCCCCCC1CCC(C(=O)Oc2ccc(OCC)cc2)CC1 3894873 WEFKCJFGOARXCB-UHFFFAOYSA-N 332.484 5.768 0 50 EKAA Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1 4010512 BCWWCNQBIOAHLC-UHFFFAOYSA-N 338.410 5.911 0 50 EKAA Cc1ccccc1C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 4577262 LCNURLDSLQCZCR-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2ncccc2c1 205651775 RSRSZTSFPVCPJT-UHFFFAOYSA-N 340.382 5.279 0 50 EKAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(-c3ccc(C)cc3)o1)C2 1704342840 FQMDLBAMYZFFKV-YADHBBJMSA-N 339.479 5.036 0 50 EKAA Fc1c(F)c(F)c2c(c(-c3ccccc3)nn2-c2ccccc2)c1F 352542 ASUYPKCJDMZYTD-UHFFFAOYSA-N 342.295 5.249 0 50 EKAA CC(C)(C)c1ccc(-c2cc(N3CCCCC3)c3ccccc3n2)cc1 4541716 TWNYZGJOGYPFEJ-UHFFFAOYSA-N 344.502 6.190 0 50 EKAA O=C(Nc1ccc(SCc2ccco2)cc1)N1CCCCCCC1 95505139 QHYIYECWOWJKKT-UHFFFAOYSA-N 344.480 5.370 0 50 EKAA Cc1cccc(C)c1NC(=O)c1ccc(-c2nc3ccccc3s2)o1 128057535 YGHKTDQHEXRJPB-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA CCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 50073 CSOGGODNKMDYLK-UHFFFAOYSA-N 330.840 5.606 0 50 EKAA Cc1cc(C)c(NC(=O)COc2ccc(C)cc2C(C)(C)C)c(C)c1 121219 MRGAVJHLSKQAAG-UHFFFAOYSA-N 339.479 5.235 0 50 EKAA C[P@@](=O)(Nc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1 203253 IMKCAKDLUAVPLJ-QFIPXVFZSA-N 349.676 5.673 0 50 EKAA COc1ccc(-c2nc3ccccc3n2[C@H](C)c2ccccc2)cc1 452189 OAAGVFFIXBIKHG-MRXNPFEDSA-N 328.415 5.321 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1Br 2755974 MIDYZMUATHJVLZ-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Clc1ccc(N2N=C(c3cccnc3)C[C@@H]2c2ccccc2)cc1 4566928 YGDOFBGASCTWFH-HXUWFJFHSA-N 333.822 5.091 0 50 EKAA CC(C)(C)C1=C[C@@H](NCc2ccccc2)n2c(nc3ccccc32)S1 675009403 HCCUDLVOQNOBDJ-IBGZPJMESA-N 349.503 5.360 0 50 EKAA Cc1nc(C2CCCC2)sc1C(=O)OCC1CC(C(C)(C)C)C1 1875332801 LEAIOBHKKOMUQD-UHFFFAOYSA-N 335.513 5.338 0 50 EKAA COc1c(Cl)cc(C(=O)Nc2ccccc2C(C)C)cc1Cl 308828 WZBYNFBMCWPOAX-UHFFFAOYSA-N 338.234 5.378 0 50 EKAA C[C@H](c1ccccc1)[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 393530 LZDXXRGGXGHELT-DYESRHJHSA-N 336.456 5.005 0 50 EKAA CCCCCCC(=O)CCCCCCCCCCCCC(N)=O 4582747 GMQDVTPORBPNBV-UHFFFAOYSA-N 325.537 5.692 0 50 EKAA Nc1c(Cl)cc(Cc2cc(Cl)c(N)c(Cl)c2)cc1Cl 5425712 YZHBFXOFILAJSC-UHFFFAOYSA-N 336.049 5.055 0 50 EKAA Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)c1 36620366 CAZSLUPHYKDNHP-SFHVURJKSA-N 328.843 5.326 0 50 EKAA CC(C)Cc1ccc(CN[C@@H](C)c2ccc(-c3cncnc3)cc2)cc1 408513145 PVFKRMMHSXZPAY-SFHVURJKSA-N 345.490 5.193 0 50 EKAA COc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 186013 QYSMZDNECVVTKP-UHFFFAOYSA-N 331.824 5.124 0 50 EKAA Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 434013 HIFPPPNKHHPNLW-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA CC[C@@H](C)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 451011 JHTQYCRQCIPVHX-MRXNPFEDSA-N 339.479 5.515 0 50 EKAA CCCCC1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 2866555 PZURQRCJLRYBEV-UHFFFAOYSA-N 327.390 5.641 0 50 EKAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3843391 QFEHNMKROHXPFO-IGOIZDSHSA-N 338.532 6.061 0 50 EKAA biogenic Cc1ccc2c(c1)c1c3n2CCN([C@@H](C)c2ccccc2)[C@H]3CCC1 55421509 GNVBGFAKJVJGJT-JTSKRJEESA-N 330.475 5.404 0 50 EKAA biogenic Cc1cc([C@H]2CCCN2Cc2ccc(-c3ccccc3Cl)o2)on1 97717031 QZLYDAQHIHSSMQ-QGZVFWFLSA-N 342.826 5.234 0 50 EKAA CCCCCn1cc(C(=O)NCC[C@H]2CC[C@@H](C)C2)c2ccccc21 1875357438 HOCUGKPOZAEAEG-QZTJIDSGSA-N 340.511 5.388 0 50 EKAA Cc1c(Cl)cccc1NC(=O)Oc1cc(Cl)cc(Cl)c1 398607 CQHNFXZOAQBKRX-UHFFFAOYSA-N 330.598 5.566 0 50 EKAA CC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 463107 ZFXPADJNZXDMOZ-UHFFFAOYSA-N 328.824 5.089 0 50 EKAA S=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 618617 IJBUPJRCSDUQAR-UHFFFAOYSA-N 331.655 5.456 0 50 EKAA CCCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1 2875968 UWGFTNBCWTZYJE-UHFFFAOYSA-N 338.476 5.058 0 50 EKAA C/C=C/c1ccc(OCCCCOc2cc(C)cc(C)c2)c(OC)c1 2985213 UNCWCTIORIQOTA-VMPITWQZSA-N 340.463 5.583 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)c1cccc(-c2ccccn2)c1C 165346651 XGTUOBARWHPHTB-UHFFFAOYSA-N 336.822 5.271 0 50 EKAA Clc1ccc(Oc2ccc(NC[C@@H]3CC[C@H]4C[C@H]4C3)cc2)nc1 2325864673 VYYLDJIAQITFGE-QLFBSQMISA-N 328.843 5.375 0 50 EKAA Cc1cccc(F)c1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 476762 RIUYKNIMTLGBOS-SJORKVTESA-N 325.427 5.174 0 50 EKAA CO[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 609450 OOIGNEUWRBMBOF-HXUWFJFHSA-N 349.455 5.164 0 50 EKAA Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 1066434 UUYWMXAAWSSKRY-LLVKDONJSA-N 340.275 5.421 0 50 EKAA O=C(O)CCCCCCCCCCSc1ccc(Cl)cc1 3130419 HFLNIGVVZLDXCE-UHFFFAOYSA-N 328.905 6.028 0 50 EKAA Cc1cc(C)c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(=O)O)c2c1 3756477 PPDVWLBSLJOYDQ-UHFFFAOYSA-N 333.431 5.514 0 50 EKAA CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCO 4654957 ULQWKETUACYZLI-QNEBEIHSSA-N 349.559 5.465 0 50 EKAA endogenous,in-man CN(Cc1cccc(Oc2ccc(Cl)cc2)c1)C1CCCCC1 23281342 YGEMCDAWLOPOMW-UHFFFAOYSA-N 329.871 5.897 0 50 EKAA CC[C@H](c1cccnc1)N(C)C(=O)c1ccccc1-c1ccccc1C 952975069 GSVOMKIORHGVQR-JOCHJYFZSA-N 344.458 5.280 0 50 EKAA CC(C)NC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 2080758384 HRROJQJBNRGRQT-ICWWQFESSA-N 347.587 5.148 0 50 EKAA CC(C)c1ccc(-c2csc(N3C[C@H]4CCC[C@@H](C4)C3)n2)cc1 2325866189 CTBFZRPWZQHMSA-HOTGVXAUSA-N 326.509 5.560 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 98220 UBJJEHPYMBWKSW-UHFFFAOYSA-N 327.733 5.228 0 50 EKAA O=C(/C=C/c1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 376111 SWGCIIZXBIEFMX-BQYQJAHWSA-N 325.717 5.011 0 50 EKAA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccccc2)cc1 1233531 IOVFDNQJFQYTGF-QFIPXVFZSA-N 341.454 5.248 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1c(Cl)cccc1Cl 2142494 ZYDINTJTXYXIMT-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA O=C(Nc1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1 2862867 DUFMYDFLSBNXGF-UHFFFAOYSA-N 349.433 6.273 0 50 EKAA CCCCC1CCC(C(=O)Nc2ccccc2Br)CC1 2866561 VUIHURWSWZBVSP-UHFFFAOYSA-N 338.289 5.384 0 50 EKAA COc1ccc(-n2nc3c(ccc4ccccc43)c2NC(C)C)cc1 252487330 HUMPHODLCPKEDA-UHFFFAOYSA-N 331.419 5.008 0 50 EKAA CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 168772 OGJONPFCTVIHEN-UHFFFAOYSA-N 333.387 5.130 0 50 EKAA CCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc12 2078800 PLLRQUGCHUZAJH-UHFFFAOYSA-N 333.431 5.476 0 50 EKAA CC(C)(C)C1CCC(OC(=O)Nc2cccc3ccccc23)CC1 2176386 VASRDAYDPYGMPX-UHFFFAOYSA-N 325.452 5.993 0 50 EKAA O=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Br)cc12 2534050 KTKMCAIGSAFLPQ-UHFFFAOYSA-N 334.600 5.063 0 50 EKAA CC(C)=CCCCCCCN1CCN(c2cc(C)ccc2C)CC1 4980750 ZBQNIYZTBKEPQP-UHFFFAOYSA-N 328.544 5.342 0 50 EKAA CCCCC[C@H]1CC[C@H](c2ccc(OCCCC)c(F)c2F)CC1 2088617644 QNWDTAIRRKWLBG-QAQDUYKDSA-N 338.482 6.998 0 50 EKAA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl 31975 MAZLGPABDQAWAG-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA Cc1ccc(C(C)C)c(OCCn2c(C)c(C=O)c3ccccc32)c1 305028 NAMKOBPGIAWDKA-UHFFFAOYSA-N 335.447 5.273 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 361957 VFPJGORUUCZCCT-UHFFFAOYSA-N 349.817 5.132 0 50 EKAA CCCCOc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1770829 SPRAVGGSMRKIJB-UHFFFAOYSA-N 328.795 5.292 0 50 EKAA Cc1cccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c1 1893458 WXOGRWMAPGLHCT-UHFFFAOYSA-N 342.394 5.347 0 50 EKAA biogenic C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc2ccccc2c1 2848527 ZTSIARIWXDMWHJ-QGZVFWFLSA-N 339.438 5.413 0 50 EKAA CCOc1cccc(OCCCOc2c(Cl)cccc2Cl)c1 2984954 PKZIWCKZNLXCSC-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA CC[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 13328980 BXHHHZGVLXAMLT-OAHLLOKOSA-N 341.213 5.405 0 50 EKAA Cc1cc(O)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1C 172775 VMLAOYULFMBOAR-UHFFFAOYSA-N 341.794 5.175 0 50 EKAA CCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 2205496 JRBKQNICKFZVQG-UHFFFAOYSA-N 342.870 5.501 0 50 EKAA Cc1cc(C)cc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)c1 2395231 QISZXSNPQMKXPW-UHFFFAOYSA-N 328.419 5.065 0 50 EKAA CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC 4543755 RXNIYBHTXVTSAK-YSTUJMKBSA-N 348.571 7.309 0 50 EKAA in-vitro c1ccc(-c2ccnc3c(-n4ccnc4-c4cccnc4)cccc23)cc1 67843261 FQNRRWQEDJVGJQ-UHFFFAOYSA-N 348.409 5.150 0 50 EKAA Cc1ccc(CCNc2ncnc3sc(-c4ccccc4)cc23)cc1 2325854241 UHROEMCOXDVCBL-UHFFFAOYSA-N 345.471 5.321 0 50 EKAA O=C(CCc1ccccc1)N1c2ccccc2Sc2ccccc21 469770 UFAZLVHMPFPAHH-UHFFFAOYSA-N 331.440 5.449 0 50 EKAA in-vivo CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccc(CC)cc1 2810198 XSLALWNJRSRAMO-LJQANCHMSA-N 347.395 5.626 0 50 EKAA Clc1ccccc1OCCCCCCOc1ccccc1Cl 2880462 PZFQFGYLCVSGJO-UHFFFAOYSA-N 339.262 6.012 0 50 EKAA Fc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1Cl 2894154 NTDTUHHUZZEYGU-UHFFFAOYSA-N 341.813 5.670 0 50 EKAA COc1ccc(-c2cc(N3CCC(C)CC3)c3ccccc3n2)cc1 4542890 VLJZXYQXLYOCAQ-UHFFFAOYSA-N 332.447 5.147 0 50 EKAA Cc1ccc([C@H]2C[C@H]2C(=O)Nc2cccc(Nc3ccccc3)c2)s1 170626764 BHYKXXKPGUOSFZ-RBUKOAKNSA-N 348.471 5.542 0 50 EKAA O=C(c1ccccc1)c1cccc2cccc(C(=O)c3ccccc3)c12 1632936 QPKUOOVISUGIRK-UHFFFAOYSA-N 336.390 5.302 0 50 EKAA Cc1ccc2oc3c(c2c1)-c1oc(C)cc1[C@@](C)(c1ccccc1)CC3 2494749 JCDZFMLDAJSHDK-XMMPIXPASA-N 342.438 6.562 0 50 EKAA biogenic CCCCN(C)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC 2928710 HHXUUZFNRBCSMV-UHFFFAOYSA-N 337.463 5.649 0 50 EKAA Cc1cccc(Cl)c1OCCCOc1cccc2cccnc12 2985740 QEZCNPHOIVDDEY-UHFFFAOYSA-N 327.811 5.045 0 50 EKAA CC(C)(C)c1ccc(-c2cc(N3CCCC3)c3ccccc3n2)cc1 4541720 GNNNBBKULVIHKT-UHFFFAOYSA-N 330.475 5.800 0 50 EKAA CC(C)(C)OC(=O)n1c2ccccc2c2cc(Br)ccc21 114620618 KLZXRNUDFWYGGZ-UHFFFAOYSA-N 346.224 5.340 0 50 EKAA C[C@H]1CCCC[C@H]1OC(=O)Nc1cc(Cl)c(Cl)cc1Cl 396464 SBXJSFVTLBQWFA-ISVAXAHUSA-N 336.646 5.774 0 50 EKAA Cc1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1C 13329937 QDVYNNYLIFJAJO-LBPRGKRZSA-N 337.250 5.493 0 50 EKAA C[C@](O)(c1ccc2c(c1)Cc1ccccc1-2)c1ccc2ncccc2c1 23550232 YQXYCCMBCISNFJ-DEOSSOPVSA-N 337.422 5.062 0 50 EKAA CCCCN1CC[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 101359060 LDCAVJYDEQRFHB-NHCUHLMSSA-N 343.898 5.320 0 50 EKAA C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccccc1Cl 1875289414 PTESBNZNCALNTP-KRWDZBQOSA-N 349.861 5.744 0 50 EKAA Cc1ccc(-c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 121364 GROXUMPPOGABBK-UHFFFAOYSA-N 345.442 5.296 0 50 EKAA CC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(C(C)C)cc1 1002855 MITVQEOPNHOPDU-NRFANRHFSA-N 339.479 5.478 0 50 EKAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N(c1ccccc1)c1ccccc1)CC2=O 4185874 NKGOWKBRWRLSPL-PKTZIBPZSA-N 347.458 5.137 0 50 EKAA COc1cccc2ccc(/C=C/c3ccccc3Br)nc12 5013590 QOMTYMNOMDPHKX-PKNBQFBNSA-N 340.220 5.176 0 50 EKAA Cc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(Cl)s1 13745114 UZUUBXUGCSHRMX-SECBINFHSA-N 329.252 5.246 0 50 EKAA C[C@@H](CCc1ccc(O)cc1)NC(c1ccccc1)c1ccccc1 23283032 ZRYJNMRAZMEDCD-SFHVURJKSA-N 331.459 5.093 0 50 EKAA CCCC[C@]1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245231368 CILLEQOHMDEEAL-XZAVUURCSA-N 337.507 5.266 0 50 EKAA CC(=O)c1ccc(O[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 2299912213 NYFBUZKSMNBGFX-NRFANRHFSA-N 336.818 5.711 0 50 EKAA CCOc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 307416 NUYOVZCMQHVYQX-UHFFFAOYSA-N 347.443 5.501 0 50 EKAA O=C(Nc1cccc(Cl)c1)Oc1ccc(Cl)c2cccnc12 396664 CMIYFLYOXXEJSY-UHFFFAOYSA-N 333.174 5.153 0 50 EKAA COc1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 462565 MWVCUSDKOZSJSW-UHFFFAOYSA-N 339.479 5.543 0 50 EKAA Cc1cc(C)cc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 558415 KPCPERRWIZCHBT-UHFFFAOYSA-N 330.840 5.127 0 50 EKAA C[C@@H](NC(=O)Nc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2 7077336 UGNNBMJGHRKZQA-LRYXAPPNSA-N 348.490 5.566 0 50 EKAA c1ccc2c(-c3cn[nH]c3[C@@H]3CCCN(C4CCCC4)C3)cccc2c1 12149034 WBWCXVJDBZCDQB-GOSISDBHSA-N 345.490 5.352 0 50 EKAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2Cl)cc1 35561694 HHOWJYFFCCIPRX-LJQANCHMSA-N 342.870 5.798 0 50 EKAA CC(C)(C)[C@H]1CCC2(SCCCS2)/C(=C/c2ccccc2)C1 43763189 SHGKTCPSDGXCOA-AATZCTEQSA-N 332.578 6.483 0 50 EKAA CC(C)(C)OC(=O)Nc1ccc(-c2cc(Cl)cc(C(=O)O)c2)cc1 65355401 DYHOOLGZANTFJX-UHFFFAOYSA-N 347.798 5.052 0 50 EKAA CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 253533997 XHAQVTQQTINORH-QAQDUYKDSA-N 346.436 7.446 0 50 EKAA in-vitro CCCC[n+]1c(C)c2ccc(/C=C/c3ccc(OC)cc3)ccc-2c1C 685944452 NWBJNRCHYFJUQR-BQYQJAHWSA-N 346.494 5.675 0 50 EKAA O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3ccccc23)N1 35021 OXKAFJDIRGFIAB-OAHLLOKOSA-N 342.225 5.621 0 50 EKAA CCCC(=O)N1c2c(C)cccc2[C@@H](Nc2ccccc2C)C[C@H]1C 75512 LAZKXQSSMQCQPU-XLIONFOSSA-N 336.479 5.382 0 50 EKAA Cc1cc(C)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)n1 78709 JOHKHNOAIHNTIY-UHFFFAOYSA-N 344.629 5.303 0 50 EKAA Fc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 307978 JTNQODPNOQSKCG-UHFFFAOYSA-N 335.407 5.110 0 50 EKAA CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 445123 OKPFVBZVLICTLQ-UHFFFAOYSA-N 343.732 5.010 0 50 EKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc2ccccc2o1 513871 AIYDJWHHUUJPMT-UHFFFAOYSA-N 339.700 5.357 0 50 EKAA CCc1ccccc1Nc1nc(-c2cccc(NC(C)=O)c2)cs1 2861106 AIOPMWIHYREGRR-UHFFFAOYSA-N 337.448 5.075 0 50 EKAA Oc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 2861451 CHDKWQFGIJKPRS-UHFFFAOYSA-N 336.338 5.278 0 50 EKAA Cc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 6275283 MFGODLSQKHMGMA-CYBMUJFWSA-N 342.508 5.042 0 50 EKAA CCc1cc(-c2nnc(SCc3ccc(Cl)cc3)n2C)cs1 14000473 FQBNGAZRELMMAL-UHFFFAOYSA-N 349.912 5.052 0 50 EKAA CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc21 28456868 XZVYWLVYUAQEIM-UHFFFAOYSA-N 335.447 5.266 0 50 EKAA in-vivo Brc1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1 79062418 LALQILLMTIDLFI-UHFFFAOYSA-N 348.243 6.264 0 50 EKAA in-vitro C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1 567031 MIEGUAZIGCNTET-MRXNPFEDSA-N 326.399 5.437 0 50 EKAA Clc1ccc(OCCCCCCN2CCCCC2)c(Cl)c1 2897724 ZAHSEWFFPXLNBG-UHFFFAOYSA-N 330.299 5.419 0 50 EKAA CCc1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1 2992120 DBGADRJBWSWTGG-UHFFFAOYSA-N 343.470 6.216 0 50 EKAA O=C(Nc1cccc(Cl)c1)Nc1ccc2oc3ccccc3c2c1 5094109 PYAGHLPPKQKQPF-UHFFFAOYSA-N 336.778 5.883 0 50 EKAA CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12 5650642 AGUBCDYYAKENKG-YVNJGZBMSA-N 330.512 5.685 0 50 EKAA endogenous,in-man CC(=O)c1cc(OCc2ccccc2)ccc1OCc1ccccc1 13480994 UQJUOEWQZNRLJJ-UHFFFAOYSA-N 332.399 5.047 0 50 EKAA COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257346253 WCRNVUWHLPSYKR-IUGUJUSDSA-N 346.555 5.845 0 50 EKAA Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1C 308381 FKKBHVLMUSJKHY-UHFFFAOYSA-N 325.795 5.469 0 50 EKAA C[C@@H](CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 1140038 JCBSGQBZPHRCNT-SFHVURJKSA-N 329.443 5.086 0 50 EKAA Cc1ccc(C)c(NC(=O)N(C2CCCCC2)C2CCCCC2)c1 1741854 OQOIHGQFEGAXFZ-UHFFFAOYSA-N 328.500 5.803 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2)o1 2875300 IWCOSJNPRSNMBA-UHFFFAOYSA-N 349.283 5.357 0 50 EKAA CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN12 13616481 CGHXBMDJGVVKRQ-QUCCMNQESA-N 340.854 5.318 0 50 EKAA Cc1nn(C2CCCCC2)c(Cl)c1C(=O)c1ccccc1Cl 71767377 XAJXSNDVYNRSMT-UHFFFAOYSA-N 337.250 5.235 0 50 EKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 105132 FHYPTULGDQEDSK-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA COc1cc(C)c(CNc2cc(-c3ccccc3)ccc2OC)cc1C 280400 ICKXYGHKEPMZTJ-UHFFFAOYSA-N 347.458 5.600 0 50 EKAA O=C(Nc1ccccc1Br)c1ccc(Cl)c(Cl)c1 287758 UDUONHIPZAVNRF-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 446258 NSWNXQGJAPQOID-UHFFFAOYSA-N 330.818 6.064 0 50 EKAA in-vitro Cc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1C 460340 QWBDTPAJYGYUSV-UHFFFAOYSA-N 347.483 5.848 0 50 EKAA Cc1ccc(C)c(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1 5927927 VKWUUCLTPKNPRC-UHFFFAOYSA-N 344.458 5.145 0 50 EKAA Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(F)cc2)o1 170897 MLAMOQOPELYYOK-UHFFFAOYSA-N 329.758 5.300 0 50 EKAA CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2[C@H](C)CC)cc1 620061 GTAGMEKDAMNLRR-OAHLLOKOSA-N 338.451 5.191 0 50 EKAA O=C1C[C@@H](c2c(Cl)cccc2Cl)c2c(ccc3ccccc23)N1 1058736 KHPOXAZLBACGGW-CYBMUJFWSA-N 342.225 5.621 0 50 EKAA S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CCCCCC1 2840367 BSIRAFKJUYYSLV-UHFFFAOYSA-N 339.508 5.439 0 50 EKAA CCc1cccc(NC(=O)OCCOc2ccc(C(C)(C)C)cc2)c1 4760462 KUTGLRFLUHIVAP-UHFFFAOYSA-N 341.451 5.174 0 50 EKAA Cc1cc(C)c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1 51457 ALDBAUXXXIGRTJ-UHFFFAOYSA-N 343.426 5.095 0 50 EKAA Cc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 83859 USLLYSWXTFQZRQ-UHFFFAOYSA-N 344.773 5.003 0 50 EKAA COc1ccc(-c2cc(=O)oc3c(C)c4oc(C)c(C)c4cc23)cc1 95313 WIOCHMDORGGYEQ-UHFFFAOYSA-N 334.371 5.140 0 50 EKAA biogenic Cc1ccc(Cl)cc1N[P@@](C)(=O)Oc1ccc(C(C)C)cc1 288781 ISPUACFRPNZLFZ-QFIPXVFZSA-N 337.787 6.086 0 50 EKAA O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Nc2ccccc2)cc1 474507 FPLDXLXMKKBVQM-OVCLIPMQSA-N 332.378 5.221 0 50 EKAA CCOc1ccc(NC(=O)Nc2ccccc2Cc2ccccc2)cc1 611996 YLHRTNDUZZAMOO-UHFFFAOYSA-N 346.430 5.320 0 50 EKAA CCCCOc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 1775055 LESPKWNSCNFKKK-UHFFFAOYSA-N 344.794 5.418 0 50 EKAA CCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13616413 BWRCCWGTNWSOQM-IEBWSBKVSA-N 326.827 5.010 0 50 EKAA Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1C 35561629 JVORQYIQTYPIGN-HXUWFJFHSA-N 340.442 5.592 0 50 EKAA CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(C)cc1 100202199 CCWWJOFXZBVECC-CZIZESTLSA-N 328.868 5.431 0 50 EKAA Cc1ccc(C2=N[C@H](C3CCCCC3)N3[C@H]2[C@H]3c2ccccc2)cc1 254841240 SGSXNGZQSDWDQD-GOCUUSFJSA-N 330.475 5.130 0 50 EKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1scc2c1CCCC2 36869 VQPSBQNVAZDBQA-UHFFFAOYSA-N 348.471 5.623 0 50 EKAA COc1cc(Cl)ccc1NC(=O)Sc1ccc(Cl)cc1 400421 HPQMSIRIZNYLOD-UHFFFAOYSA-N 328.220 5.326 0 50 EKAA Cc1ccc(C(C)(C)C[C@@H](C)N[C@@H](C)c2cccc3ccccc23)o1 1211977 NPORLOPTWBLJAH-AEFFLSMTSA-N 335.491 6.148 0 50 EKAA COCCCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 1904947 SRSJYBDPRPHVON-UHFFFAOYSA-N 349.478 5.043 0 50 EKAA O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1 4541796 DDPMADPAAZCSOY-UHFFFAOYSA-N 325.795 5.171 0 50 EKAA Cc1cc(NCCc2c[nH]c3ccccc23)nc2cc(Cl)ccc12 16667983 HMDYKUFFWUHULR-UHFFFAOYSA-N 335.838 5.333 0 50 EKAA COc1cc(Nc2nc(-c3ccccc3)cs2)c(OC)cc1Cl 432118 JLNQDZYNOWWAIB-UHFFFAOYSA-N 346.839 5.224 0 50 EKAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(C)(C)C 472001 LVVNGRHJPWEPNE-CYBMUJFWSA-N 331.843 5.044 0 50 EKAA CCC(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12 560793 HFFKOLLZQKFWJS-UHFFFAOYSA-N 343.426 5.466 0 50 EKAA CCCCc1cc(=O)oc2cc3oc(C)c(-c4ccccc4)c3cc12 2119108 SNLLCXRLHWLTJS-UHFFFAOYSA-N 332.399 5.857 0 50 EKAA biogenic Cc1cc2ncn(CCCOc3cccc(Cl)c3Cl)c2cc1C 4759430 NCSYZHQZANYWPV-UHFFFAOYSA-N 349.261 5.429 0 50 EKAA CN1CC[C@H](c2ccccc2)[C@@H](c2ccccc2)c2ccccc2C1 19899074 SNUVBTJYLUPNFL-RPWUZVMVSA-N 327.471 5.438 0 50 EKAA COC(=O)c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 26544025 XPHHAVUMHZURBG-UHFFFAOYSA-N 348.242 5.178 0 50 EKAA CC(C)[C@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 71746310 WMDLKBSZYZXZFI-KRWDZBQOSA-N 341.454 6.243 0 50 EKAA in-vitro c1ccc(-c2cc3cc4sc(-c5ccccc5)cc4cc3s2)cc1 86032313 WNNUVWFCGFUJFU-UHFFFAOYSA-N 342.488 7.450 0 50 EKAA CN(C)c1ccc([C@@H](c2ccccc2)[Si](C)(C)C(C)(C)C)cc1 195817103 GDGYDFQZIQRXKG-HXUWFJFHSA-N 325.572 5.932 0 50 EKAA C[C@H](c1cc2ccccc2s1)[C@@H](C)NCCc1ccc(Cl)s1 1875343898 XVKHZKCCFRIXIS-QWHCGFSZSA-N 349.952 5.941 0 50 EKAA Cc1ccc(-c2coc3cc4oc(=O)c5c(c4cc23)CCCC5)cc1 95302 ACGHPJAITBCJDL-UHFFFAOYSA-N 330.383 5.393 0 50 EKAA biogenic CCc1cccc(CC)c1NC(=O)C(c1ccccc1)c1ccccc1 998375 SWNONIKNIXAQBF-UHFFFAOYSA-N 343.470 5.582 0 50 EKAA CC[C@H](NCc1c[nH]nc1-c1ccc(C)c(C)c1)c1ccc(F)cc1 12301510 HQSWQTPWYJTUEG-FQEVSTJZSA-N 337.442 5.074 0 50 EKAA CCCN[C@@H](CCc1cccs1)c1ccc(Br)cc1 111454277 IPKUPYBRELWXDV-INIZCTEOSA-N 338.314 5.184 0 50 EKAA Cc1c(C=O)c2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 308694 QDNWAPXTBYYVJQ-UHFFFAOYSA-N 335.447 5.139 0 50 EKAA Clc1ccc(-c2csc(NCc3ccccc3)n2)cc1Cl 2861418 QQNGLAKEBOURJZ-UHFFFAOYSA-N 335.259 5.729 0 50 EKAA CCc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2861808 OLAJBGSQBPXHEK-UHFFFAOYSA-N 340.448 5.133 0 50 EKAA O=C(Sc1ccccn1)N1c2ccccc2Sc2ccccc21 80752 XOLZEMWLZXDFDF-UHFFFAOYSA-N 336.441 5.597 0 50 EKAA O=C(Oc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1 459243 AHDWTAFENCKWEV-UHFFFAOYSA-N 348.789 5.103 0 50 EKAA Cc1cccc2sc(NC(=O)c3cc(Cl)ccc3Cl)nc12 1049194 WHAGWBCEMKRVRK-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA COc1cccc(OCCCCOc2cc(Cl)ccc2Cl)c1 2985401 AIYTUSIOOCLMCW-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA COc1ccc(C(C)(C)C)cc1NC(=S)N[C@@H](C)c1ccccc1 17071601 QACQZPURBOPCMX-AWEZNQCLSA-N 342.508 5.040 0 50 EKAA CC(C)(C)c1ccccc1CN1C[C@@H](C(C)(C)C)Nc2ccccc21 2325817692 MNCLZBKOWXACMH-NRFANRHFSA-N 336.523 5.831 0 50 EKAA CC(C)C(=O)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 1218433 XOXYYRDOXAGLTB-UHFFFAOYSA-N 330.387 5.243 0 50 EKAA CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)cn2ccccc12 1406337 PPJJVKZQFQBQMC-UHFFFAOYSA-N 341.410 5.450 0 50 EKAA C[C@@H]1C[C@@H](C)CN(CCCCOc2ccccc2-c2ccccc2)C1 4905615 GNLPNVFXWVJWDD-WOJBJXKFSA-N 337.507 5.491 0 50 EKAA COc1cccc2c(C)cc(N3CCC(Cc4ccccc4)CC3)nc12 4997346 KRVHHOVPFWGSSH-UHFFFAOYSA-N 346.474 5.011 0 50 EKAA COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3F)C2)cc1 5018250 MLFAHJIWMYLGOA-QFIPXVFZSA-N 346.405 5.190 0 50 EKAA Cc1cc2ncn(CCCOc3cccc(C(F)(F)F)c3)c2cc1C 4759174 QJMOAPLZIHYLQV-UHFFFAOYSA-N 348.368 5.141 0 50 EKAA CN1CC[C@H](c2ccccc2)[C@H](c2ccccc2)c2ccccc2C1 4759646 SNUVBTJYLUPNFL-DNQXCXABSA-N 327.471 5.438 0 50 EKAA CC(C)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 4866716 OTLJPOUVBSGKMH-UHFFFAOYSA-N 343.426 5.891 0 50 EKAA c1ccc(-c2cc(-c3ccccc3)c3nc(-c4ccccc4)oc3n2)cc1 5572299 OMAHQDHNLSYPJQ-UHFFFAOYSA-N 348.405 6.224 0 50 EKAA Cc1cccc([C@H]2CCCCCN2C(=O)Nc2cccc(F)c2)c1 35561844 ASZZVASAIXTTLV-LJQANCHMSA-N 326.415 5.283 0 50 EKAA COC1=CC2=CC[C@H]3[C@@H](CC[C@@]4(C)[C@H](C(C)=O)CC[C@H]34)[C@]2(C)CC1 257357324 NKWZNFOLDIHRJW-LYSZKAAZSA-N 328.496 5.295 0 50 EKAA COc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1 618267 JHIDMNKFGHQTND-UHFFFAOYSA-N 328.371 5.079 0 50 EKAA CCCCc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2734192 MCHLKOCFKSZVAZ-UHFFFAOYSA-N 337.250 5.980 0 50 EKAA CCCCOc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 2818007 QQEINGLZYUCHJY-UHFFFAOYSA-N 336.431 5.180 0 50 EKAA c1ccc(-c2cc(-c3ccccc3)n3nc(-c4ccccc4)cc3n2)cc1 4551625 PCZVZFBNBDNNBN-UHFFFAOYSA-N 347.421 5.730 0 50 EKAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)cc1 4853363 WBCQGXCIFIWGFC-HXUWFJFHSA-N 332.447 5.199 0 50 EKAA CC(C)Oc1cccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1 5911165 WELJVQJIIDSAOG-UHFFFAOYSA-N 341.794 5.041 0 50 EKAA C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl 13329909 KGMCGQANAFMNCV-VIFPVBQESA-N 327.186 5.015 0 50 EKAA CC[C@@H](F)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705047 FAFWRNLRDMHCOR-CQSZACIVSA-N 329.459 5.644 0 50 EKAA in-vitro CSc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2172878 LSGPMQFGKCWXDE-UHFFFAOYSA-N 326.343 5.071 0 50 EKAA CC(C)[C@H](C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 248215319 FXRHXRDCVQLOSA-KERGGTOXSA-N 333.903 5.021 0 50 EKAA CC(C)Oc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 144408 HXQJEQJZAZIXDQ-UHFFFAOYSA-N 331.415 5.393 0 50 EKAA CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cccc(Cl)c1 397942 DDQLTZXKAWMPSZ-UHFFFAOYSA-N 330.859 6.231 0 50 EKAA COc1ccc(Cl)cc1NC(=O)Oc1ccc(C(C)(C)C)cc1 398477 MBMCBAKCXMXLIL-UHFFFAOYSA-N 333.815 5.257 0 50 EKAA CCCCC(=O)Nc1cccc(NC(=O)c2ccc3ccccc3c2)c1 2828635 SJUFOMPQQYXJBH-UHFFFAOYSA-N 346.430 5.221 0 50 EKAA O=C(COc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1 4825902 RILAFWDBBCQQOG-UHFFFAOYSA-N 345.423 5.225 0 50 EKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc2ccccc2o1 5046885 AHQWVXFTXPQGND-UHFFFAOYSA-N 327.339 5.585 0 50 EKAA Fc1cccc(NCc2cccc(Oc3ccc(Cl)cc3)c2)c1 23282750 DESVRSKUXVSGTI-UHFFFAOYSA-N 327.786 5.884 0 50 EKAA CC1(C)c2ccccc2-c2ccc(Nc3ccc4ccccc4c3)cc21 142782673 COLKCCIWRXMWBI-UHFFFAOYSA-N 335.450 6.890 0 50 EKAA Cc1ccc(-c2ccccc2)cc1Nc1cc(-c2ccccc2)ccc1C 200592036 QVEUDUJIDSHFHL-UHFFFAOYSA-N 349.477 7.381 0 50 EKAA O=C(NC1CCCCC1)c1ccc(CSc2ccccc2)cc1 444258 FPRNHESRVLHXRT-UHFFFAOYSA-N 325.477 5.041 0 50 EKAA Cc1ccc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)cc1C 461140 GMJCYVMASJQPTG-UHFFFAOYSA-N 333.218 5.251 0 50 EKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1C[C@H]1c1ccccc1 476219 OUDZZEPJMZRYDF-QWRGUYRKSA-N 340.637 5.389 0 50 EKAA S=C(Nc1ccccc1Cl)Nc1ccc(Cl)cc1Cl 618746 BHHILCCNUUDWPO-UHFFFAOYSA-N 331.655 5.456 0 50 EKAA c1ccc(CSc2nc(-c3ccccc3)c3ccccc3n2)cc1 2312932 VKLXYJPFOHXCKZ-UHFFFAOYSA-N 328.440 5.589 0 50 EKAA Cc1cc2nc(-c3cccc(NC(=O)c4cccs4)c3)oc2cc1C 2982836 VRWKLIGEFBHAJD-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA Cc1ccc([C@@H]2C[C@H](c3ccccc3)Sc3c(C)cccc32)cc1 5753051 AJRSHRKCOCSRRX-FCHUYYIVSA-N 330.496 6.672 0 50 EKAA CCSc1ccccc1NC(=O)c1oc2c(C)cc(C)cc2c1C 334162484 OMNUBGOZDZVEEG-UHFFFAOYSA-N 339.460 5.722 0 50 EKAA CCOC(=O)c1sc(/C=C/c2ccccc2)nc1-c1ccccc1 1875255645 OTGPFMBMUQCMGT-BUHFOSPRSA-N 335.428 5.157 0 50 EKAA O=c1oc2cc3occ(-c4ccc(F)cc4)c3cc2c2c1CCCC2 95274 CNDBAHOVONZEBJ-UHFFFAOYSA-N 334.346 5.224 0 50 EKAA biogenic Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2cccc(Cl)c2C)c1 133551 XKEJEYIYCORXNI-UHFFFAOYSA-N 345.870 5.272 0 50 EKAA C[C@@H](C(=O)c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 4529675 XCVBREXJNRYOBA-GCJKJVERSA-N 342.438 5.562 0 50 EKAA Cc1ccc([C@@H]2C[C@@H](c3ccccc3)Sc3c(C)cccc32)cc1 5753055 AJRSHRKCOCSRRX-VXKWHMMOSA-N 330.496 6.672 0 50 EKAA c1ccc(COc2ccc(C3(N4CCCCC4)CCCCC3)cc2)cc1 96027192 RIYMNAWXVGLTMQ-UHFFFAOYSA-N 349.518 5.911 0 50 EKAA O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 245238347 LDWOCVLKNFPNQW-ZODFBQKWSA-N 345.486 6.107 0 50 EKAA CCCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 2829185 KDYMJZOQGNBKPL-UHFFFAOYSA-N 347.842 5.088 0 50 EKAA CCCc1cc(=O)oc2cc(O[C@H](C)c3ccccc3)c(Cl)cc12 2995558 SNXQBBXLLCIIGQ-CYBMUJFWSA-N 342.822 5.539 0 50 EKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2C)[C@@H]3CCC1 5032440 MXKBUKGHAVOMCJ-HSZRJFAPSA-N 344.502 5.541 0 50 EKAA C[Si](C)(C)[C@H]1C=CC([Si](C)(C)C)([Si](C)(C)C)c2ccccc21 169817883 MFEUWAMRWUSXGS-SFHVURJKSA-N 346.739 6.210 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC(F)F)c(Cl)c1 374366 LRBUNLVAXXEUSG-UHFFFAOYSA-N 347.148 5.239 0 50 EKAA CCCCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2516928 FZXUXQSWWHWPNU-HUUCEWRRSA-N 326.864 5.318 0 50 EKAA in-vitro Cc1[nH]c2ccccc2c1C(c1ccco1)c1c(C)[nH]c2ccccc12 3893307 HHGCMGFYSAVUJI-UHFFFAOYSA-N 340.426 6.039 0 50 EKAA Cc1cc(Cl)ccc1OCCCC(=O)NC1CCCCCCC1 4628409 RGNNXMCSLNZENS-UHFFFAOYSA-N 337.891 5.037 0 50 EKAA c1ccc(-c2nc3c(s2)[C@@H](NCC2CCCCC2)CCC3)cc1 1875358572 ASIBGSORIXHDKB-KRWDZBQOSA-N 326.509 5.357 0 50 EKAA Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2ccccc12 68979 NWEAQWFUCTVJDI-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1 191018 MNJFIDGLCSVEEX-UHFFFAOYSA-N 328.371 5.056 0 50 EKAA C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1 449710 VYAXUCXEWHANSU-UTKZUKDTSA-N 347.483 5.397 0 50 EKAA CCn1c2ccccc2c2cc(NC(=O)Cc3cccs3)ccc21 2050863 MGTABNOWCXYHAW-UHFFFAOYSA-N 334.444 5.057 0 50 EKAA Cc1nnc(C)c2c(C)n(-c3ccc(Nc4ccccc4)cc3)c(C)c12 2589850 MKJDXBUGWJWDBL-UHFFFAOYSA-N 342.446 5.398 0 50 EKAA Fc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1Cl 4284337 WZBLZSGRNJLQHC-UHFFFAOYSA-N 334.803 5.155 0 50 EKAA CC1(C)C=C(C(O)C2=CC(C)(C)[C@H]3C[C@H]2C3(C)C)[C@H]2C[C@H]1C2(C)C 104307492 BEFDOBLHYSGFEZ-BRSBDYLESA-N 328.540 5.604 0 50 EKAA CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 242723132 YDVUSMRUBCJGAV-UBBSCCEASA-N 348.521 7.625 0 50 EKAA CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 253610023 XRQMGIQLKOIPKU-KGVYPZOGSA-N 344.539 5.702 0 50 EKAA COc1ccc(Cl)cc1NC(=O)Oc1ccc(Cl)c(Cl)c1 397703 KGSZBOFYTBVKOV-UHFFFAOYSA-N 346.597 5.266 0 50 EKAA Cc1cc2nc(-c3ccc(NC(=O)c4cccs4)cc3)oc2cc1C 447349 AJJVDPZBJDZPCL-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA CCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 1226134 ASXJYXZVDASYGU-UHFFFAOYSA-N 331.459 5.288 0 50 EKAA Cc1ccc(-c2cc(C(=O)N3CCCC3)c3cccc(C)c3n2)cc1C 6789482 NYNFPZIPEAVNEH-UHFFFAOYSA-N 344.458 5.063 0 50 EKAA Cc1ccc(-c2c(CC[C@@](C)(O)c3ccccc3)oc3ccccc23)o1 377535 KDYWFGXVIUEVDN-HSZRJFAPSA-N 346.426 5.842 0 50 EKAA biogenic COc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 442438 GYICFNXDEQEEFQ-HXUWFJFHSA-N 349.455 5.167 0 50 EKAA CCC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(N)=O 2597412 GPJOCTSYUYFQBP-SFHVURJKSA-N 333.516 5.095 0 50 EKAA CCCCC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 3873889 JRLOEMCOOZSCQP-QFIPXVFZSA-N 335.447 5.428 0 50 EKAA biogenic,in-vivo CCc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1 15866973 RYTWMYUHRDMPFC-QGZVFWFLSA-N 328.481 5.460 0 50 EKAA COc1ccccc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 447517 FVEPRNYLPYLACQ-UHFFFAOYSA-N 341.794 5.169 0 50 EKAA O=C(COc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 449375 AQLNVCUCNXTZIW-UHFFFAOYSA-N 327.383 5.011 0 50 EKAA O=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O 27645640 BGOJKUCHTMYINI-DTLRTWKJSA-N 334.456 5.281 0 50 EKAA in-vitro CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1 245189277 KAMYBEKPILURLI-QAQDUYKDSA-N 340.438 6.119 0 50 EKAA COC(=O)CCc1[nH]c2c(C)cccc2c1Sc1ccc(C)cc1 36653 FATOODHMUGSNSC-UHFFFAOYSA-N 339.460 5.042 0 50 EKAA Clc1ccc(SN(Cc2ccccc2)c2ccccn2)cc1 1794575 MLUNCQNGNMOUFZ-UHFFFAOYSA-N 326.852 5.449 0 50 EKAA O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1 78210787 XDFKWGIBQMHSOH-UHFFFAOYSA-N 327.855 5.315 0 50 EKAA in-vitro Cc1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 194241 DZZVWZXEZINYEV-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA CCOc1ccccc1OCCCOc1ccc(Cl)cc1Cl 2984352 FOMWUZGBGHPZAF-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 12276099 ZHFHCBMXBKQWTN-IFMALSPDSA-N 344.389 5.068 0 50 EKAA CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c21 64858592 RERSSQCTZKUWMM-UHFFFAOYSA-N 343.426 5.531 0 50 EKAA in-vitro c1coc([C@@H]2CCCCCN2Cc2cc(CN3CCCC3)cs2)c1 820414141 HZHPCHUIZXEJCG-IBGZPJMESA-N 344.524 5.054 0 50 EKAA O=C1C[C@H](c2c(F)cccc2Cl)Nc2ccc3ccccc3c21 276295 ZLRZGMRJECJFFQ-MRXNPFEDSA-N 325.770 5.372 0 50 EKAA O=C(CCCc1ccccc1)Nc1ccc(Nc2ccccc2)cc1 458026 FTHLIKAASXMTGA-UHFFFAOYSA-N 330.431 5.392 0 50 EKAA CCCOc1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)cc1 1778086 RKMBUTBXCGAJQY-NTEUORMPSA-N 331.415 5.281 0 50 EKAA Cc1ccc2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)oc2c1 2866544 GOOMNIGSNXDANZ-UHFFFAOYSA-N 333.309 5.321 0 50 EKAA CC(=O)[C@H](C(=O)c1ccccc1)C1c2ccccc2Oc2ccccc21 19789658 QQXCYSURNXIYNP-NRFANRHFSA-N 342.394 5.012 0 50 EKAA CC1(C)C(C(=O)c2cn(CCCCCF)c3ccccc23)C1(C)C 91297350 PXLDPUUMIHVLEC-UHFFFAOYSA-N 329.459 5.646 0 50 EKAA in-vitro COc1cc(CNc2ccccc2F)ccc1OCc1ccccc1 280304 SLPVHFMKCDVRTQ-UHFFFAOYSA-N 337.394 5.025 0 50 EKAA O=C(Nc1cccc(Cl)c1)N(C1CCCCC1)C1CCCCC1 396384 SJGQQUIRPBJPIK-UHFFFAOYSA-N 334.891 5.839 0 50 EKAA Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 441495 ZEACIYHUKNPOHW-UHFFFAOYSA-N 347.258 5.285 0 50 EKAA O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 567237 REKXZQDEOPZHGM-UHFFFAOYSA-N 344.238 5.253 0 50 EKAA CCOc1ccc(C2=C[C@H](c3ccccc3)c3ccccc3O2)cc1 2914649 PBPVJIGKJVVLRT-OAQYLSRUSA-N 328.411 5.651 0 50 EKAA CCCCc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 13744559 ALEKMEKUWXTUBF-GFCCVEGCSA-N 336.888 5.627 0 50 EKAA CSc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)c1 13745070 YILXRAOTKNDKGG-SECBINFHSA-N 326.874 5.006 0 50 EKAA CC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(C)C)cc1 20573068 LGGJQEQFXWRKLF-NRFANRHFSA-N 336.479 5.572 0 50 EKAA COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2F)cc1 22015998 LFTUFOSVQFLBBO-JOCHJYFZSA-N 346.405 5.190 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1Cl 133967 NGNZEECMEQDMCC-UHFFFAOYSA-N 349.139 5.656 0 50 EKAA O=C(c1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1 309312 OGCHQXXWWILPDG-UHFFFAOYSA-N 335.584 5.080 0 50 EKAA CCSc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1 314199 VUMGBCXXBYHERA-UHFFFAOYSA-N 337.897 5.426 0 50 EKAA COc1cc(Cl)ccc1NC(=O)Oc1ccc2ccccc2c1 400359 VVRBQISPVPSSDB-UHFFFAOYSA-N 327.767 5.113 0 50 EKAA CCSc1ccc(NC(=O)c2ccc3ccccc3c2OC)cc1 472099 NNGFKFUIALKLOA-UHFFFAOYSA-N 337.444 5.213 0 50 EKAA Cc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c(C)c1 1233535 KNVHWTZJOUPEHQ-NRFANRHFSA-N 341.454 5.248 0 50 EKAA CCc1cc(OCCCCOc2ccccc2OC)ccc1Cl 2983570 MOMMFBFOVKJHSZ-UHFFFAOYSA-N 334.843 5.149 0 50 EKAA CCCc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 20573094 ANGAUQLVMHHVPH-LBPRGKRZSA-N 334.822 5.314 0 50 EKAA Cc1ccc(C)c([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 245257219 XEODHVPTWTZTLA-IXWVJFEVSA-N 347.458 5.298 0 50 EKAA CC(=O)c1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)cc1 37818 FPJABFICQDCZQK-UHFFFAOYSA-N 329.827 5.092 0 50 EKAA O=C(Nc1cccc2cccnc12)C(c1ccccc1)c1ccccc1 287670 UPNQQJMRKUFBCE-UHFFFAOYSA-N 338.410 5.005 0 50 EKAA CN(Cc1ccccc1)C(=O)N1c2ccccc2CCc2ccccc21 1226929 NFNOHWUOFLRCSP-UHFFFAOYSA-N 342.442 5.175 0 50 EKAA CCCCN(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 3122484 QZOWTTHCURHTDW-UHFFFAOYSA-N 337.250 5.832 0 50 EKAA O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccccc2Cl)o1 4542025 XKWAXOGELRRYCN-UHFFFAOYSA-N 332.186 5.506 0 50 EKAA CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 242581626 NZXZINXFUSKTPH-VVPTUSLJSA-N 334.494 7.235 0 50 EKAA CC[C@@H](NC[C@H](CO)Cc1ccccc1C)c1cccc2ccccc12 2325841602 AVRGLCIXMDBDLT-NTKDMRAZSA-N 347.502 5.040 0 50 EKAA COC(=O)c1ccccc1SCc1ccc(Cl)cc1Cl 167474 QZBBYQAFZKOHLQ-UHFFFAOYSA-N 327.232 5.072 0 50 EKAA CC(C)c1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)cc1 292496 DFUPDYCMNJNAGQ-DHZHZOJOSA-N 334.246 5.769 0 50 EKAA CC(C)(C)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)no1 466979 PWXBPZLYHAOTHG-UHFFFAOYSA-N 336.391 5.017 0 50 EKAA Cc1cc(C)c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C)c1 473821 CHXSYNIKBWCENG-FNORWQNLSA-N 334.246 5.571 0 50 EKAA CC[C@@]1(C)C[C@H](c2nc(-c3ccc(OC)cc3)cs2)CCS1 496020 GEJIIDBCVDGQKV-KDOFPFPSSA-N 333.522 5.598 0 50 EKAA Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccccc1 1390131 PXYASROIBLNMFW-UHFFFAOYSA-N 325.458 5.094 0 50 EKAA CCCCc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 13744557 ALEKMEKUWXTUBF-LBPRGKRZSA-N 336.888 5.627 0 50 EKAA CC[C@@H](C)N1C(=O)CC[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12 334163482 ULFJZQFBFIWLSX-UZLBHIALSA-N 346.474 5.307 0 50 EKAA Cc1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 2061323 NKKIFCWYSJVFOS-UHFFFAOYSA-N 345.833 6.002 0 50 EKAA CC(C)c1ccc(NC(=O)N(C2CCCCC2)C2CCCCC2)cc1 3131477 LWPVWCBEEORONK-UHFFFAOYSA-N 342.527 6.309 0 50 EKAA Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccc(F)cc2)cc1 5617797 HEYKWZQBOFEPAN-QFIPXVFZSA-N 348.396 5.629 0 50 EKAA C[C@H](SCc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl 6701584 BFZLKXTZNADPHS-NSHDSACASA-N 340.275 5.254 0 50 EKAA Cc1ccc2nc(-c3ccc(NC(=O)c4cccs4)cc3)oc2c1 452065 SYTUIMAQXPHSCX-UHFFFAOYSA-N 334.400 5.117 0 50 EKAA Cc1ccc2c(C(=O)O)cc(-c3ccc(OC(C)C)cc3)nc2c1C 1459149 XHKXCKYKCWZJLT-UHFFFAOYSA-N 335.403 5.004 0 50 EKAA CCCCNC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4070913 KNXHVGWMDSGNDC-UHFFFAOYSA-N 326.484 5.076 0 50 EKAA Cc1nnc(C)c2c(C)n(C(c3ccccc3)c3ccccc3)c(C)c12 4870081 JLRLFPYOMOPNEF-UHFFFAOYSA-N 341.458 5.303 0 50 EKAA aggregator c1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2CC3)cc1 5332059 KUUGMPRCLPUABA-UHFFFAOYSA-N 333.434 6.181 0 50 EKAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C/C=C/C(C)C)n1 20538978 OQWHNOWFIDSSDV-NDEDVSTASA-N 345.490 5.031 0 50 EKAA Brc1ccc2c(c1)C1c3ccccc3C2c2ccccc21 57447946 WCTZBXVLMPEDKZ-UHFFFAOYSA-N 333.228 5.436 0 50 EKAA C1C[C@H]2C[C@H]1[C@@H]1SC(=C3S[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4S3)S[C@@H]21 100808612 AXKZAQWXUQRLEU-KXIFGDRHSA-N 340.604 5.407 0 50 EKAA Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc(Nc3ccccc3)c2)s1 170626762 BHYKXXKPGUOSFZ-OALUTQOASA-N 348.471 5.542 0 50 EKAA COc1cc(C)ccc1OCCCCOc1ccc(C)cc1Cl 2984274 NAHMFUIXSXBBKQ-UHFFFAOYSA-N 334.843 5.203 0 50 EKAA CCOc1ccccc1OCCCCSc1ccc(Cl)cc1 4701786 DGXLFTNBIKDYSL-UHFFFAOYSA-N 336.884 5.690 0 50 EKAA Cc1cc(Br)cc(C)c1NC(=O)c1cc2ccccc2o1 6188910 CGTMDXLMFGUPPD-UHFFFAOYSA-N 344.208 5.064 0 50 EKAA CCCC(=O)c1cc2c3c(cccc3c1OC)C(=O)c1ccccc1-2 22781677 KEVCQWXFLXQFOW-UHFFFAOYSA-N 330.383 5.043 0 50 EKAA CCCCCC[C@H]1CC(=O)c2ccccc2N1C(=O)OC(C)(C)C 725325705 SWDDPDJTKZTEEB-HNNXBMFYSA-N 331.456 5.354 0 50 EKAA Cc1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1C 68127 OIWIQMIMIOQSNE-OAQYLSRUSA-N 347.483 5.776 0 50 EKAA O=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 167878 MBLSKTHLXLXJBL-UHFFFAOYSA-N 331.198 5.538 0 50 EKAA O=C(Nc1cccc(Cl)c1Cl)Oc1cccc2cccnc12 395169 GOIXETUXMQLAAU-UHFFFAOYSA-N 333.174 5.153 0 50 EKAA Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl 859395 MAIJZLWMDGVXSZ-UHFFFAOYSA-N 348.151 5.573 0 50 EKAA CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@]12C 25549106 LFDDUQXVBIIJBD-HBTGOZMISA-N 344.583 6.529 0 50 EKAA CCCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 170607456 OCHHDHMZRXYIHK-PMACEKPBSA-N 339.454 5.644 0 50 EKAA Cc1ccc(NC(=O)C(C)(C)C)cc1N[C@H]1CCc2ccc(F)cc21 2325727112 ZOLYYIRGAKGBAF-SFHVURJKSA-N 340.442 5.218 0 50 EKAA Cc1ccc(-c2csc3ncnc(Nc4cccc(O)c4)c23)cc1 148653 VWNPXBARZGHSAM-UHFFFAOYSA-N 333.416 5.116 0 50 EKAA C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1Cl 283625 NDZKDDWZBKEKNI-AWEZNQCLSA-N 328.843 5.173 0 50 EKAA O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl 372197 JVSRPUHYFGSOPP-UHFFFAOYSA-N 349.044 5.481 0 50 EKAA Cc1c2oc(=O)cc(-c3ccccc3)c2cc2c3c(oc12)CCCC3 407862 GAXOTFQMPVZJID-UHFFFAOYSA-N 330.383 5.393 0 50 EKAA biogenic Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(=O)O)c2c1 2737927 ILFSWTAIDJXUMM-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA Cc1ccc2nc(-c3cc(Cl)ccc3Cl)cc(C(=O)O)c2c1 2749227 ZSWOTFRHGHTWSB-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA CC1(C)C[C@]2(C)OC(=O)N(CCc3ccccc3)[C@]2(C)c2ccccc21 4727306 WSZCDWPCCIAWOM-XZOQPEGZSA-N 349.474 5.037 0 50 EKAA COc1cc2c(cc1NC(=O)c1csc(C)c1)oc1ccccc12 4801807 FLDDXVOJCSIFES-UHFFFAOYSA-N 337.400 5.217 0 50 EKAA CC(C)(C)C1=C[C@@H](NC2CCCCC2)n2c(nc3ccccc32)S1 675009441 IAMHSBQNFHXBQB-SFHVURJKSA-N 341.524 5.493 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)Oc1cccc2c(Cl)ccnc12 398052 GAJGOZRHYNHBQP-UHFFFAOYSA-N 347.201 5.461 0 50 EKAA O=C1C(O)=C(CC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C(=O)c2ccccc21 402491 ZNPDNWVMVQPDRC-JYJNAYRXSA-N 338.447 5.264 0 50 EKAA Cc1ccc(C)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 514736 JYWXVDXEKLDTOP-UHFFFAOYSA-N 331.415 5.135 0 50 EKAA Cc1ccccc1Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2897788 WWKJUUNCXZHXSK-UHFFFAOYSA-N 335.259 6.169 0 50 EKAA c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)c1 13616575 LZHWXQRBTSDFEJ-YLJYHZDGSA-N 338.476 5.198 0 50 EKAA COc1cc(Nc2ccnc3c(C(F)(F)F)cccc23)cc(OC)c1 41055031 LFDQLATYTCLHQB-UHFFFAOYSA-N 348.324 5.014 0 50 EKAA COc1ccccc1OC[C@@H](C)n1cnc(-c2ccccc2)c1C1CC1 65394556 JUMWOGXPEFKCOY-MRXNPFEDSA-N 348.446 5.076 0 50 EKAA C[C@H]1CC=C([Si](C)(c2ccccc2)c2cccc3ccccc23)CC1 169828512 VJJDGFIQGBRHOC-UBDBMELISA-N 342.558 5.318 0 50 EKAA Cc1coc2ccc(NC(=O)Nc3cnn(C4CCCC4)c3C)cc12 194039561 YPFPWIZSFNWTQR-UHFFFAOYSA-N 338.411 5.005 0 50 EKAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C)c(C)c1 71915 PJEDPLMRFFIUJK-UHFFFAOYSA-N 348.446 5.389 0 50 EKAA Cc1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1 342068 QDOYRUBXBHREAH-UHFFFAOYSA-N 340.220 5.163 0 50 EKAA in-vivo COc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)[nH]c2c1 4406503 NXYVCCAJBLVHMO-UHFFFAOYSA-N 339.247 5.171 0 50 EKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H](C)C(=O)[C@]3(Sc3ccccc3)C[C@@H]12 71786658 ANVKFMGPTIZMOX-LWDRMUHESA-N 342.548 5.835 0 50 EKAA CCOc1ccc(-c2nc3ccccc3n2Cc2ccccc2F)cc1 1857526012 SZTCBZQPIMLXCI-UHFFFAOYSA-N 346.405 5.289 0 50 EKAA O=C(CSc1ccccc1)N1c2ccccc2Sc2ccccc21 80371 DEDXZLAUUPHUHS-UHFFFAOYSA-N 349.480 5.608 0 50 EKAA CC(C)(C)C1CCC(OC(=O)Nc2ccc3ccccc3c2)CC1 2190095 OKFVKRVQQVEINJ-UHFFFAOYSA-N 325.452 5.993 0 50 EKAA CN1c2ccccc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc13)O2 2271823 DTQKEQFXLWFVCS-HSZRJFAPSA-N 327.427 5.369 0 50 EKAA in-vitro CCn1c2ccccc2c2cc(CNCc3ccccc3OC)ccc21 2902646 FIOIJUCPVZEPFX-UHFFFAOYSA-N 344.458 5.113 0 50 EKAA in-vitro C/C=C/c1ccc(OCCCCOc2c(C)cccc2C)c(OC)c1 2985577 OFZIKNXYAABXQT-WEVVVXLNSA-N 340.463 5.583 0 50 EKAA Cc1cccc(C)c1-c1cccc(-c2c(C)cccc2C)c1[C@@H](C)O 3123667 ICMUAUYAFISBHA-LJQANCHMSA-N 330.471 6.308 0 50 EKAA Cc1ccc(C(C)(C)C[C@H](C)NCc2ccc(C(F)(F)F)cc2)o1 5031793 SXFQQSCMSZCOGL-ZDUSSCGKSA-N 339.401 5.453 0 50 EKAA Fc1ccccc1NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 16191226 VODYSLSYKNHKMN-UHFFFAOYSA-N 348.752 5.307 0 50 EKAA c1ccc(/N=c2\scc(-c3cccs3)n2-c2ccccc2)cc1 100313210 JEVDVDVTJQNQLW-VXPUYCOJSA-N 334.469 5.500 0 50 EKAA CCCCCSc1sc(=S)sc1SCCCCC 166137711 GAACZRORIJWJPY-UHFFFAOYSA-N 338.654 7.104 0 50 EKAA Cc1ccc(Oc2ccccc2CNc2ncnc3ccccc23)cc1 1776005023 XXAFOBRIXVPOET-UHFFFAOYSA-N 341.414 5.343 0 50 EKAA COc1ccccc1-c1ccnc(N[C@H]2CCC[C@@H]2CCC(C)C)n1 2325840311 XDYLLJJATPLYRV-AEFFLSMTSA-N 339.483 5.169 0 50 EKAA Clc1ccc(Cc2cnc(Nc3ccccc3)s2)cc1Cl 136931 ZLBHEUXAXCINIE-UHFFFAOYSA-N 335.259 5.784 0 50 EKAA CC(C)(C)c1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1 291586 ZBYNFMIULONQIW-UHFFFAOYSA-N 347.212 5.057 0 50 EKAA Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)CC(C)C)c3)nc2c1 359575 VVJHNJVNKKFDPV-UHFFFAOYSA-N 336.435 5.405 0 50 EKAA CCOc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1 610533 IIKYIUINJVIKGN-UHFFFAOYSA-N 348.471 5.561 0 50 EKAA CC[C@@H](C)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2846036 WUVBHOXSNVWHAY-MRVPVSSYSA-N 343.295 5.148 0 50 EKAA O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1C[C@@H]1c1ccccc1 3878709 FXOKWMLZVSPKPK-NHCUHLMSSA-N 328.415 5.172 0 50 EKAA Fc1ccc(N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 4031117 IRPKPJFHPZUJCI-OAHLLOKOSA-N 328.437 5.304 0 50 EKAA CCC(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 5103246 VXUAAGCYFNWTGR-UHFFFAOYSA-N 335.190 5.150 0 50 EKAA O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 17028247 GSJUUPQLRIDLIX-UHFFFAOYSA-N 329.812 5.108 0 50 EKAA Fc1ccccc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 17072468 WFWJMXMHTJNQRF-UHFFFAOYSA-N 348.752 5.307 0 50 EKAA Cc1ccc2oc(-c3ccc(NC(=O)c4ccccc4C)cc3)nc2c1 74927 WEUGKKAMJYRJHI-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(Cl)c1 406656 HBRYCKWBXZNPNM-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA Cc1nn(C(=O)/C=C/c2ccccc2)c(C)c1Sc1ccccc1 3893043 BLRKPCXKQWKRKQ-BUHFOSPRSA-N 334.444 5.005 0 50 EKAA C[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl 13330087 NSSLMMQQHYQHCA-MRVPVSSYSA-N 345.176 5.154 0 50 EKAA CCC[C@H](C)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859635 PYSUCFNXILFYSH-KRWDZBQOSA-N 341.454 6.387 0 50 EKAA in-vitro FC(F)(F)Oc1ccc(Oc2ccc(Br)cc2)cc1 116056471 AZJYHXLZYCYEKA-UHFFFAOYSA-N 333.103 5.140 0 50 EKAA Clc1cccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c1 170101651 JBCLHEZKXSMQMK-UHFFFAOYSA-N 331.806 5.694 0 50 EKAA CCO[C@H](C)c1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1 1506420210 YLJOBBMBOFTKSU-QGZVFWFLSA-N 337.463 5.077 0 50 EKAA O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccccc1 369573 FWBHUKDGHMRVOX-UHFFFAOYSA-N 330.431 5.030 0 50 EKAA CC(C)c1ccc(OC[C@H](C)NC(=O)c2ccc3ccccc3c2)cc1 468727 OPJCCLLHXSAUIU-KRWDZBQOSA-N 347.458 5.161 0 50 EKAA Cc1ccc(C)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 2972840 ZJNYQEBASAETBQ-UHFFFAOYSA-N 325.795 5.469 0 50 EKAA C[C@H](CC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 4740502 VNJBOHMEOBHLNF-QGZVFWFLSA-N 347.483 5.970 0 50 EKAA Clc1ccc(CN2CCc3c([nH]c4ccccc34)C2)cc1Cl 19594845 MIKNQTKUGWCJQH-UHFFFAOYSA-N 331.246 5.033 0 50 EKAA biogenic Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccc(Cl)cc1 19790445 IFOHRIXRQPOHQZ-NRFANRHFSA-N 347.849 5.726 0 50 EKAA in-vitro Cc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)cnn23)cc1 23114942 QOSSCSDGUXCJAZ-UHFFFAOYSA-N 348.837 5.410 0 50 EKAA CC(C)(C)Cn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 71746259 VAWLMOLQJCGJAZ-UHFFFAOYSA-N 341.454 6.072 0 50 EKAA in-vitro O=[N+]1/C(=C2\C=Cc3ccccc3N2O)C=Cc2c1ccc1ccccc21 334157361 MUNRMNZQCNNVEA-QURGRASLSA-N 339.374 5.411 0 50 EKAA CCC[C@H](NC[C@@H]1CC[C@@H]2C[C@@H]12)c1ccc(Oc2ccccc2)cc1 2325822374 TZJOBNXUKAHLBP-VNHKHXMHSA-N 335.491 5.956 0 50 EKAA Cc1cc(C)cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 316241 IUDMKOKBEKTVKU-UHFFFAOYSA-N 325.795 5.469 0 50 EKAA Cc1cc(F)ccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 373915 IGMXLLBMHJLLPW-HMMYKYKNSA-N 331.390 5.313 0 50 EKAA CC(C)c1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1 452970 CCZVFRDVPQLARB-UHFFFAOYSA-N 348.471 5.090 0 50 EKAA O=C(Nc1nc2ccc3ccccc3c2s1)c1cccc(Cl)c1 1506425 CRNKBGKSTHDOJB-UHFFFAOYSA-N 338.819 5.355 0 50 EKAA c1ccc2cc(Oc3ncnc4sc5c(c34)CCCCC5)ccc2c1 2083308 QLXOPVHPCUXEIX-UHFFFAOYSA-N 346.455 5.906 0 50 EKAA CCCCOc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1 2913730 FBEDBFFKZVJYQX-UHFFFAOYSA-N 334.419 5.663 0 50 EKAA CCCOc1ccc2c(=O)c(Oc3ccccc3F)c(C)oc2c1C 2995066 SBQGCFBCHSSXIF-UHFFFAOYSA-N 342.366 5.130 0 50 EKAA CCCCOc1ccc(-c2n[nH]c(C)c2Oc2ccccc2)c(O)c1 3877329 YZUKQDRXMQASCG-UHFFFAOYSA-N 338.407 5.062 0 50 EKAA biogenic Cc1c(C)c(Br)c(Cl)c(Cl)c1Br 71782698 MZOVGMRJOUCTOA-UHFFFAOYSA-N 332.850 5.135 0 50 EKAA Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 1875256841 CYHYNQIJSUQWLA-NRFANRHFSA-N 330.431 5.101 0 50 EKAA O=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)nc2ccccc12 35714 QSOYDLNLYHOQPB-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1 73777 UHGZQKISCURFDI-UHFFFAOYSA-N 349.242 5.369 0 50 EKAA Cc1ccc(OCc2nc3ccccc3n2Cc2ccccc2C)cc1 99113 XOMXKDUZVJLCPC-UHFFFAOYSA-N 342.442 5.280 0 50 EKAA C[C@@H](c1ccccc1)[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 393529 LZDXXRGGXGHELT-LAUBAEHRSA-N 336.456 5.005 0 50 EKAA Cc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1Cl 472100 BMKCRGHVOBSJEZ-UHFFFAOYSA-N 349.817 5.132 0 50 EKAA CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 1540226 SERHTTSLBVGRBY-UHFFFAOYSA-N 336.608 5.571 0 50 EKAA investigational Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)c1 307141 MRPCJENPXZHNMO-OAQYLSRUSA-N 346.405 5.214 0 50 EKAA CC[C@H](C)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 451012 JHTQYCRQCIPVHX-INIZCTEOSA-N 339.479 5.515 0 50 EKAA CCn1c2ccccc2c2cc(CN(C)Cc3ccccc3)ccc21 1108049 XPEPWIKTPSRGAT-UHFFFAOYSA-N 328.459 5.446 0 50 EKAA CC(C)=CCC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 1658570 DBMJZOMNXBSRED-OQLLNIDSSA-N 338.403 5.611 0 50 EKAA aggregator,biogenic,in-vitro Cc1ccc([C@@H](CC(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1 2900681 RATVLWMZYAIWKS-QHCPKHFHSA-N 342.482 6.325 0 50 EKAA Oc1cccc2ccc(/C=C/c3ccc(-c4ccccc4Cl)o3)nc12 4151182 XYVPWPOJHTYZDW-ZHACJKMWSA-N 347.801 6.024 0 50 EKAA Oc1c(Cl)cc(Cl)cc1/C=C/c1ccc2cccc(O)c2n1 4755387 VCMZBCVKYFLYBH-FNORWQNLSA-N 332.186 5.123 0 50 EKAA C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320451 JBBWYIAVZACJNU-SKDRFNHKSA-N 334.769 5.059 0 50 EKAA CCc1ccccc1NC(=O)N1CCCCC[C@H]1c1cccs1 15867066 IRYIDAVXVSLPTO-KRWDZBQOSA-N 328.481 5.460 0 50 EKAA Cc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(Cl)cc1 192224 ABGPSSHATBMTSX-UHFFFAOYSA-N 344.823 5.214 0 50 EKAA O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(Cl)c1 398254 UPEBJUAADISMKR-UHFFFAOYSA-N 335.017 5.553 0 50 EKAA CC[C@@H](C)c1ccccc1NC(=O)c1ccc(SC)cc1OC 859632 GQTSBDUCVQXAJI-CYBMUJFWSA-N 329.465 5.183 0 50 EKAA CCCC[C@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 2350939 PCESVUMMJXHDBT-LIRRHRJNSA-N 344.480 5.164 0 50 EKAA Cc1cc(C)c(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c(C)c1 3059176 GHSHIUOODZYKMW-JKSUJKDBSA-N 348.273 5.138 0 50 EKAA O=C1CCCC[C@H]1[C@H](Nc1ccc2ncccc2c1)c1ccc(F)cc1 4006129 SBGHKGVVQISYCE-DENIHFKCSA-N 348.421 5.286 0 50 EKAA CC(C)c1nc2cc(NC(=O)c3cccc4ccsc34)ccc2o1 1875289219 YSLJCJVPDCWUOE-UHFFFAOYSA-N 336.416 5.418 0 50 EKAA Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 315155 SCTYKXUVFITDHQ-OAQYLSRUSA-N 328.415 5.075 0 50 EKAA Cc1cccc(Cl)c1NC(=O)Nc1c(Cl)cccc1Cl 398106 CHJDJUGTLCAIQP-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA CC[C@]1(C)C[C@H](c2nc(-c3ccc(OC)cc3)cs2)CCS1 496021 GEJIIDBCVDGQKV-RDTXWAMCSA-N 333.522 5.598 0 50 EKAA Cc1ccc(NC(=S)Nc2ccccc2Oc2ccccc2)cc1 618781 DLALAYYQIIXYBN-UHFFFAOYSA-N 334.444 5.596 0 50 EKAA CCCCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 3460933 KURIUJZCWTWJMB-UHFFFAOYSA-N 339.769 5.049 0 50 EKAA CC[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 34961944 YUZXOJOCNGKDNI-IJTNLZTASA-N 344.495 5.520 0 50 EKAA in-vitro C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CS1 253499881 QOPVNDPJLOUFPN-WRDJSGTQSA-N 346.580 5.432 0 50 EKAA biogenic COc1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1 91690 KZXRVEZIPUEDMI-UHFFFAOYSA-N 334.400 5.159 0 50 EKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2ccccc2c1 310838 ZDOMQZVQUUZMEE-UHFFFAOYSA-N 349.739 5.764 0 50 EKAA O=C(Nc1ccccc1Cl)Oc1ccccc1Cc1ccccc1 401492 SCVIJNFDYMXQGL-UHFFFAOYSA-N 337.806 5.542 0 50 EKAA O=C(Nc1cccc2cccnc12)c1ccc(-c2cccc(Cl)c2)o1 556528 JQYFVEYYPHTNLR-UHFFFAOYSA-N 348.789 5.401 0 50 EKAA CC(C)SCCCCCCOc1cccc(Oc2ccccc2)c1 2875155 QGNIVCAGGAWOOS-UHFFFAOYSA-N 344.520 6.560 0 50 EKAA Cc1nn(Cc2ccccc2)c2nc(-c3ccccc3)cc(C(F)F)c12 20615053 AUEYXPZIQDJOTD-UHFFFAOYSA-N 349.384 5.393 0 50 EKAA O[C@H](C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 169520483 IKORDPJNLNHIKI-NHCUHLMSSA-N 337.850 5.617 0 50 EKAA O=Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Br 236047413 FHBLIBVUFWUTJJ-UHFFFAOYSA-N 346.007 5.361 0 50 EKAA CCOc1ccccc1NC(=O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 252320693 MAXNMPDTIHONSU-CSVZPYAESA-N 339.479 5.353 0 50 EKAA CC(C)(C)c1ccc(OC(=O)COc2ccc3ccccc3c2)cc1 305902 MFIIMLYGAZUCQA-UHFFFAOYSA-N 334.415 5.122 0 50 EKAA CC(C)c1ccc(NCCC(=O)c2cccc(Br)c2)cc1 409541 GDGWBGMGGDOBPC-UHFFFAOYSA-N 346.268 5.257 0 50 EKAA CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1 2026035 FMUYQRFTLHAARI-UHFFFAOYSA-N 330.471 6.044 0 50 EKAA biogenic Clc1ccc(C(Cl)(Cl)Cl)cc1C(Cl)(Cl)Cl 2143220 OGKCWNMIXCBFQB-UHFFFAOYSA-N 347.283 5.993 0 50 EKAA O=C(c1ccc2ccccc2c1)N(C1CCCCC1)C1CCCCC1 2824492 NIMOQBUDEXCULA-UHFFFAOYSA-N 335.491 5.947 0 50 EKAA Cc1ccc(C(C)(C)C[C@@H](C)NCc2ccc(Cl)cc2Cl)o1 5031850 XULWZVDQNWGIQG-GFCCVEGCSA-N 340.294 5.741 0 50 EKAA Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1Cl 5065465 PUKQLDXXXWNZMA-UHFFFAOYSA-N 331.696 5.059 0 50 EKAA Cc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 859996 OXBZZPKXSOVDDW-UHFFFAOYSA-N 337.806 5.693 0 50 EKAA C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320454 JBBWYIAVZACJNU-JOYOIKCWSA-N 334.769 5.059 0 50 EKAA CCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 71746290 DOKBVCMQPGKQGV-UHFFFAOYSA-N 341.454 6.134 0 50 EKAA in-vitro C[C@@H]1C[C@H]2CCc3ccc4ccccc4c3[C@@H]2c2c1ccc1ccccc21 71785197 QGYAOHODJSDTPT-HIIGZGGBSA-N 348.489 7.195 0 50 EKAA Clc1ccc(N[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cc1 136302381 JJOPBBXPKCSFNG-QGZVFWFLSA-N 331.246 5.964 0 50 EKAA C[C@@H](N[C@@H]1CCC(C)(C)c2ccccc21)c1ccc2cccnc2c1 2325827932 URAXVMRQBNRTQS-IIBYNOLFSA-N 330.475 5.698 0 50 EKAA C[C@H](N[C@H](C)CCc1ccco1)c1ccc(Cl)c2ccccc12 2325870200 MUJIVWNKZVLVEY-CABCVRRESA-N 327.855 5.758 0 50 EKAA CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 1147074 BTWVGSPXXGOSQV-HSZRJFAPSA-N 343.470 5.332 0 50 EKAA Oc1ccc(-c2csc(Nc3cccc(Br)c3)n2)cc1 2862120 HOGXWFPQCPWMFQ-UHFFFAOYSA-N 347.237 5.022 0 50 EKAA CCOc1ccccc1OCCCOc1c(C)cc(C)cc1Cl 4702055 HVZGUMHXGBXPMU-UHFFFAOYSA-N 334.843 5.203 0 50 EKAA C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12 5373534 HLGGOQQVNXJQFJ-CYBMUJFWSA-N 343.348 5.350 0 50 EKAA Cc1nc(NC(=O)c2sc3ccccc3c2Cl)ccc1Cl 10119498 GLBIIGYBYIWDGY-UHFFFAOYSA-N 337.231 5.164 0 50 EKAA CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3cccs3)nc21 13961147 HCGGAKYANGQZOU-UHFFFAOYSA-N 339.386 5.287 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1C[C@H]2CC[C@@]13CCC[C@H]23 36499762 ULOOTODLOBJAKK-BYEZUKCCSA-N 340.250 5.511 0 50 EKAA O=C(C[C@H](c1ccc(Cl)cc1)[C@@H]1CCCCC1=O)c1ccccc1 237872 GUEDHQCUZRWRLD-RBUKOAKNSA-N 340.850 5.456 0 50 EKAA Cc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)o2)cc1Cl 452163 WAVSPCMUEPGWRT-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA O=C(OCc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 572008 XLIFGCYNKGAOCY-UHFFFAOYSA-N 336.818 5.215 0 50 EKAA CCCCN(CC)C(=O)c1cc(-c2ccccc2)nc2ccccc12 2993189 BEDBSPCOIARKIT-UHFFFAOYSA-N 332.447 5.164 0 50 EKAA O=C(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 3861523 CFBBKHROQRFCNZ-UHFFFAOYSA-N 348.445 5.904 0 50 EKAA biogenic,in-vitro Oc1c(Cl)cc(Cl)cc1-c1[nH]c(Cl)c(Cl)c1Cl 13450441 FBRLLYYPGGXCKT-UHFFFAOYSA-N 331.413 5.654 0 50 EKAA biogenic,in-vitro C[C@H](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 303714 HXRJFKWLCYGDFF-SNVBAGLBSA-N 342.653 5.779 0 50 EKAA Cc1nn2c(N3CCC(C)CC3)cc(C(C)C)nc2c1-c1ccccc1 2431648 AEVAZWMOGIGEHM-UHFFFAOYSA-N 348.494 5.064 0 50 EKAA CC(C)SCCCCCCOc1ccc(Br)cc1 2885652 QHSMEBNKRYRNRM-UHFFFAOYSA-N 331.319 5.530 0 50 EKAA Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 4542742 RFOZNWQYHNUUAE-UHFFFAOYSA-N 346.213 5.814 0 50 EKAA CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCC 6701170 SONHLCYUUKFICH-UHFFFAOYSA-N 341.923 5.442 0 50 EKAA Cc1cc(-c2ccccc2)n2nc(CC(C)C)c(-c3ccccc3)c2n1 2325809487 ASXIKZFKMGSDBI-UHFFFAOYSA-N 341.458 5.570 0 50 EKAA CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1 303184 APMNPUIMGDTYJY-BJMVGYQFSA-N 334.246 5.769 0 50 EKAA Cc1cc(C)cc(NC(=O)c2ccccc2CCc2ccccc2)c1 1191537 BYLGKGGRHPTGFL-UHFFFAOYSA-N 329.443 5.341 0 50 EKAA CC(C)(CCCCCCCO)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 71789395 CGEUPVXPOYJOQH-PKOBYXMFSA-N 348.527 5.021 0 50 EKAA in-vitro Cc1cccnc1-c1nc(-c2ccc(-c3ccccc3)cc2)cs1 72284463 GFTGEJFLEXCZLL-UHFFFAOYSA-N 328.440 5.848 0 50 EKAA OC1=Nc2ccc(-c3csc(-c4c(F)cccc4Cl)n3)cc2C1 328591248 DYUGQOBIHGQPQM-UHFFFAOYSA-N 344.798 5.414 0 50 EKAA Cc1cccc(NC(=O)CC2c3ccccc3Oc3ccccc32)c1 471283 GILJMKOPSQXJIA-UHFFFAOYSA-N 329.399 5.261 0 50 EKAA CC[C@H](C)c1ccc([C@H](C)NC(=O)Nc2cccc(SC)c2)cc1 13321220 KHNHKLVGGFASDL-GJZGRUSLSA-N 342.508 5.805 0 50 EKAA FC(F)(F)[C@H](O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 22342352 IRCMZJMLDNJTEV-ZIAGYGMSSA-N 334.259 5.610 0 50 EKAA CC(=O)c1c(C)oc2c1cc(OC(=O)c1ccccc1)c1ccccc12 266492 NUDHZECURIPRFD-UHFFFAOYSA-N 344.366 5.316 0 50 EKAA O=C(Nc1ccccc1SC(F)(F)F)c1ccccc1Cl 451635 PXWXMTWLQBGMBH-UHFFFAOYSA-N 331.746 5.204 0 50 EKAA CN(C)CC1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 3683919 SLTVLNJKFKLCRM-QHCPKHFHSA-N 341.454 5.184 0 50 EKAA c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4683464 SNWMJXYMFQKTOL-UHFFFAOYSA-N 336.434 6.058 0 50 EKAA CSc1cccc(NC(=O)NCc2ccc(Cl)c(Cl)c2)c1 13320127 LCJAFYMPZPKQJW-UHFFFAOYSA-N 341.263 5.037 0 50 EKAA CN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 100322730 OCAXFDULERPAJM-ZJOUEHCJSA-N 341.882 5.071 0 50 EKAA in-vitro CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772491695 WIWIXNXBHJVZNI-SCEVQDCISA-N 344.539 5.151 0 50 EKAA CCCC[C@H]1CC[C@H]([C@H]2CC[C@@H](c3ccc(F)c(F)c3)CC2)CC1 1857777593 NZXZINXFUSKTPH-UGLKCIBTSA-N 334.494 7.235 0 50 EKAA Cc1cccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c1 2325825680 YYULNCLIHBVSKJ-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA Fc1cccc(NC(=S)Nc2ccccc2Oc2ccccc2)c1 619448 VVYZENNVFUAQNP-UHFFFAOYSA-N 338.407 5.427 0 50 EKAA CC(C)CN(CC(C)C)C(=O)C(C)(c1ccccc1)c1ccccc1 1018265 CQTFKVSVCSVCHH-UHFFFAOYSA-N 337.507 5.133 0 50 EKAA COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C 3798734 IHUNBGSDBOWDMA-AQFIFDHZSA-N 326.436 5.167 0 50 EKAA biogenic,fda O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1C[C@@H]1c1ccccc1 285761 FXOKWMLZVSPKPK-RTWAWAEBSA-N 328.415 5.172 0 50 EKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)Sc1ccc(O)cc1 397712 YIQAZPBZIUAFRU-UHFFFAOYSA-N 348.638 5.677 0 50 EKAA CCn1c2ccccc2c2cc(CNc3ccc(F)c(F)c3)ccc21 2464028 ISNQYNABXUHOJA-UHFFFAOYSA-N 336.385 5.705 0 50 EKAA O=C(Nc1ccccc1C(F)(F)F)c1cccc2c(Cl)cccc12 4776824 DUKOMFNYAYFTRZ-UHFFFAOYSA-N 349.739 5.764 0 50 EKAA CCCCOc1ccc(Nc2cc(C)nc3ccc(OC)cc23)cc1 5808067 KMDFPLCAMNYEJW-UHFFFAOYSA-N 336.435 5.474 0 50 EKAA COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 43758822 WCRNVUWHLPSYKR-CBDUDEPBSA-N 346.555 5.845 0 50 EKAA CC(C)=CCC/C(C)=C/CC[C@@]1(C)C=Cc2c(C)cc(O)cc2O1 218546160 QJCFVYYUAJZBKT-BPNKPRMTSA-N 326.480 6.338 0 50 EKAA biogenic C/C=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257345653 FGSFYZNXYHDZKI-KVNPZYRJSA-N 344.539 5.907 0 50 EKAA CC(C)=CCC/C(C)=C/Cc1cc(O)cc2c1OC(=O)C2=C(C)C 1077991881 KQFVFCDBRJGIPU-OQLLNIDSSA-N 326.436 5.340 0 50 EKAA biogenic CCOc1ccc(NCC(=O)c2ccc(-c3ccccc3)cc2)cc1 324923 CIPBJOOMGDKSSV-UHFFFAOYSA-N 331.415 5.047 0 50 EKAA Cc1ccc(-c2cc(-c3ccccc3)nc(N3CCC(C)CC3)n2)cc1 439403 IQHFCWZVOHCIBZ-UHFFFAOYSA-N 343.474 5.355 0 50 EKAA CCOc1c(Cl)cc(CNc2cccc(Cl)c2)cc1Cl 2866375 AKPUBKOMEVFKTE-UHFFFAOYSA-N 330.642 5.658 0 50 EKAA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(C)C)cc1 5682747 ZKJXTIDGBCQWFN-AZUAARDMSA-N 340.854 5.174 0 50 EKAA Brc1ccc(-c2csc(Nc3ccccc3)n2)cc1 12375826 WSEYNFJNIBSAIT-UHFFFAOYSA-N 331.238 5.316 0 50 EKAA biogenic CCn1c2ccccc2c2cc(CNCCc3cccc(F)c3)ccc21 19855984 IZQGXPYMVSYPGI-UHFFFAOYSA-N 346.449 5.286 0 50 EKAA CC(=O)c1ccc(-c2c(-c3ccccc3)ncn2C2CC=CC2)cc1 65372029 BAYSYCUXWUVKLX-UHFFFAOYSA-N 328.415 5.311 0 50 EKAA CC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 248160262 KYYJIBTUSXSVOK-VVPTUSLJSA-N 334.494 7.235 0 50 EKAA COc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 302443 CJWDTYGTUJEYRQ-UHFFFAOYSA-N 344.366 5.261 0 50 EKAA CN1Cc2ccccc2[C@@H]1C1c2ccccc2CCc2ccccc21 2172330 FAZGOYZHDVJKNJ-XMMPIXPASA-N 325.455 5.104 0 50 EKAA C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)s1 13744539 OHOYCWCJZWSNBV-ZETCQYMHSA-N 349.670 5.591 0 50 EKAA CC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\CCC(=O)O 35979230 YYZNJWZRJUGQCW-RQQXGUOYSA-N 344.495 5.760 0 50 EKAA in-vitro CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc(C=O)ccc21 43681904 JWQOZEXSBKOAAL-INIZCTEOSA-N 335.447 5.636 0 50 EKAA Oc1cccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)c1 253433581 YVEDHNURYFYFQF-UHFFFAOYSA-N 331.802 5.928 0 50 EKAA Cc1onc(-c2ccccc2Cl)c1-c1nc(C2CCCCC2)no1 446649 BHTUWQZUISALLX-UHFFFAOYSA-N 343.814 5.401 0 50 EKAA Cc1ccc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)cc1Cl 450863 KMDAIRMKTMZBLF-UHFFFAOYSA-N 343.854 5.373 0 50 EKAA Cc1cc2ncn(CCCOc3cccc4ccccc34)c2cc1C 4759625 YCQLVCKWRUHCTO-UHFFFAOYSA-N 330.431 5.275 0 50 EKAA O=C(Nc1cccc(Cl)c1)N1CCCCC[C@@H]1c1cccs1 15866965 LZWPNZVETCCVIA-OAHLLOKOSA-N 334.872 5.551 0 50 EKAA Cc1ccccc1-c1nnc(CN[C@H](C)c2cc3ccccc3s2)o1 184383009 YOCIRBFVAACMJI-CQSZACIVSA-N 349.459 5.111 0 50 EKAA CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 318557 AUKVRIPRFCCXDD-UHFFFAOYSA-N 338.234 5.134 0 50 EKAA Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 433884 JMIIFJIJWDCOEP-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1ccc(C)c(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c1 459780 ISKZFROFDYEETL-UHFFFAOYSA-N 339.822 5.778 0 50 EKAA FC(F)=C(F)Oc1ccc(-c2ccc(OC(F)=C(F)F)cc2)cc1 2525309 QNDHDIXRBUDLFJ-UHFFFAOYSA-N 346.226 6.181 0 50 EKAA O=C(O)c1cc2ccccc2cc1Nc1ccnc2cc(Cl)ccc12 19782371 PPDXZIZIGXRQBO-UHFFFAOYSA-N 348.789 5.483 0 50 EKAA C[C@H](OC(=O)Cc1cccc(C(F)F)c1)c1cnc2ccccc2c1 225733420 SDXOBVFZZPYECP-ZDUSSCGKSA-N 341.357 5.019 0 50 EKAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1ccc(C2CCC2)cc1 1875305691 YNYATGUVHMDPHV-AQYVVDRMSA-N 349.474 5.074 0 50 EKAA Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 190216 HPNXNRSCTLZKTH-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA CC(C)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 437907 KXHUSEAVAPQLBJ-UHFFFAOYSA-N 329.852 5.930 0 50 EKAA Cc1cc(OCCn2c3ccccc3c3ccccc32)ccc1C(C)C 2991996 ATAJYWABHNGGNB-UHFFFAOYSA-N 343.470 6.305 0 50 EKAA CC(C)(C)C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 4247941 QCOLKTZJLKSCRN-UHFFFAOYSA-N 336.460 5.462 0 50 EKAA COc1ccc(C=O)cc1CSc1cc(C)ccc1C(C)(C)C 12447333 DHYUFOBEWZMELD-UHFFFAOYSA-N 328.477 5.406 0 50 EKAA Cc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1 18154134 JZQPIWBAVDKLKG-UHFFFAOYSA-N 327.387 5.054 0 50 EKAA COc1ccccc1OC[C@H](C)n1cnc(-c2ccccc2)c1C1CC1 65394555 JUMWOGXPEFKCOY-INIZCTEOSA-N 348.446 5.076 0 50 EKAA O=[N+](Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 368032720 IAKAQYOWFCHKRW-UHFFFAOYSA-N 335.227 5.162 0 50 EKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OCC)cc3)CC2)CC1 514287085 FXFZNZIPWAAKSA-IFSQOONMSA-N 328.540 6.966 0 50 EKAA CSc1ccc(Cl)c(C(=O)N2CC(C)(C)CCC2(C)C)c1 1875343951 ZGZDIIOCRRVFHG-UHFFFAOYSA-N 325.905 5.103 0 50 EKAA Clc1ccc(Oc2ccc(NC[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)nc1 2325864672 VYYLDJIAQITFGE-KFWWJZLASA-N 328.843 5.375 0 50 EKAA Cc1ccc2sc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 195375 CHFJJGOWEZHVQT-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA CCOc1ccccc1OCCCOc1c(Cl)cccc1Cl 2983709 NDADVDXESKAFHX-UHFFFAOYSA-N 341.234 5.240 0 50 EKAA C[C@H](C(=O)c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 4529674 XCVBREXJNRYOBA-AVRDEDQJSA-N 342.438 5.562 0 50 EKAA COc1ccccc1N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 4844408 HSWXJAVUGCOOMR-OAQYLSRUSA-N 328.415 5.051 0 50 EKAA Cc1cc(NCCC#N)ccc1/N=N/c1ccc([N+](=O)[O-])cc1Cl 5160055 BLQXHXLSDYOZLF-QZQOTICOSA-N 343.774 5.298 0 50 EKAA COc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 64984742 WQVOPQKSQYHAJA-LJQANCHMSA-N 338.451 5.153 0 50 EKAA CC1(C)CC2=Nc3ccccc3N[C@@H](c3cccc(F)c3)C2=C(O)C1 100629099 XAAORBCETOGSQW-FQEVSTJZSA-N 336.410 5.697 0 50 EKAA CCc1cccc(CC)c1NC(=O)CCCOc1cc(C)ccc1C 1779183 AXTLWFOWTCVXCQ-UHFFFAOYSA-N 339.479 5.226 0 50 EKAA C[C@H]1CCCCN1c1ncnc2scc(-c3ccc(Cl)cc3)c12 1927124 ZTCDBFXGSXHABU-LBPRGKRZSA-N 343.883 5.391 0 50 EKAA Fc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 38329985 WXCOMGNRDCUQKD-UHFFFAOYSA-N 334.213 5.379 0 50 EKAA CCCCC(O)(CCCC)COCC(O)(CCCC)CCCC 71769150 BTPOPKHAWHHXDX-UHFFFAOYSA-N 330.553 5.226 0 50 EKAA Brc1ccc(N[C@H](c2ccccc2)c2ccncc2)cc1 198720 KLJWWEBUVKJULJ-GOSISDBHSA-N 339.236 5.046 0 50 EKAA Oc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1 446562 TZEFHDHSQJYXAU-UHFFFAOYSA-N 347.237 5.022 0 50 EKAA COc1ccc(CCCC(=O)Nc2ccc(C(C)C)cc2)cc1C 618019 SQASZMIHLMHFCA-UHFFFAOYSA-N 325.452 5.088 0 50 EKAA Cc1c(C(=O)Nc2ccccc2-c2ccccc2)oc2ccccc12 1053533 YLDJJXFHFFRDPZ-UHFFFAOYSA-N 327.383 5.661 0 50 EKAA O=C1CCCc2c3ccc(c21)CCCCc1ccc(cc1)CCCC3 4787981 NUTRQZIDQJBFNV-UHFFFAOYSA-N 332.487 5.650 0 50 EKAA CC[n+]1c(-c2ccccc2)cc(-c2ccc(C)cc2)c2c1CCCC2 5339976 VOPVJVKXZZDVED-UHFFFAOYSA-N 328.479 5.515 0 50 EKAA Cc1ccccc1-c1nnc(CN[C@@H](C)c2cc3ccccc3s2)o1 184382988 YOCIRBFVAACMJI-AWEZNQCLSA-N 349.459 5.111 0 50 EKAA C[C@H](c1ccccc1)n1c(=O)n(C[C@H]2CCC(C)(C)C2)c2ccccc21 1875357394 FKJJBJKYIUOWGX-MSOLQXFVSA-N 348.490 5.239 0 50 EKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2cccnc12 205632 BMUQHDNNGLRCRD-UHFFFAOYSA-N 332.190 5.186 0 50 EKAA COc1ccc2ccccc2c1Cc1c(OC)ccc2ccccc12 1682782 WOAKPXSTZYSSEU-UHFFFAOYSA-N 328.411 5.601 0 50 EKAA O=P1(O)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1 1765619 JEHUZVBIUCAMRZ-UHFFFAOYSA-N 348.294 5.532 0 50 EKAA in-vitro Cc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1C 2526069 PQJXCQMMSKMAMH-UHFFFAOYSA-N 325.795 5.179 0 50 EKAA FC(F)(F)c1cccc(OCc2ccccc2)c1Br 97756658 DWYMDVVSJQOADL-UHFFFAOYSA-N 331.131 5.047 0 50 EKAA in-vitro Cc1ccc(-c2csc(-c3c(N)sc4c3CCCC4)n2)cc1 34835 UCDYCTHFLKVDLT-UHFFFAOYSA-N 326.490 5.308 0 50 EKAA Cc1cc(C)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2n1 184202 VFNBMJDRIYZAOA-UHFFFAOYSA-N 347.849 5.257 0 50 EKAA CC(=O)Nc1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 196681 XOQXZUNSEUPVCI-UHFFFAOYSA-N 330.598 5.398 0 50 EKAA CCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)c(C)cc3o2)c1 444498 HGOSEFWFMDXXPT-UHFFFAOYSA-N 342.826 5.504 0 50 EKAA Cc1ccccc1Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1 2865119 FWIUEOUHFIMKFH-UHFFFAOYSA-N 337.426 5.863 0 50 EKAA CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 248147867 FQADBEOLIYAFDV-AHIIVRHQSA-N 346.555 5.494 0 50 EKAA CCc1cc(=O)oc2c(C)c3occ(-c4ccc(OC)cc4)c3cc12 95339 YBWMMDUKGCJBDI-UHFFFAOYSA-N 334.371 5.086 0 50 EKAA biogenic CCc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 228294 VVFLOXNXEPPMJR-UHFFFAOYSA-N 348.393 6.135 0 50 EKAA COc1ccc(C)cc1NC(=O)CC(c1ccccc1)c1ccccc1 303884 SGFKIVWHQBRPMN-UHFFFAOYSA-N 345.442 5.164 0 50 EKAA O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 402131 HJEGRBLRFNDVFE-UHFFFAOYSA-N 346.666 5.378 0 50 EKAA CCCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 505822 FZAAXOMUCZIDKZ-UHFFFAOYSA-N 330.840 5.355 0 50 EKAA COc1cc(C)ccc1OCCCOc1cc(C)c(Cl)cc1C 2991020 YFYUGYQDSIXOSI-UHFFFAOYSA-N 334.843 5.122 0 50 EKAA CCOc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 3877454 UREIGFHGGNQHSX-UHFFFAOYSA-N 344.458 5.111 0 50 EKAA Cc1ccc(C)c(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1 3878407 CMAUCUVNPPZNHR-UHFFFAOYSA-N 348.393 6.189 0 50 EKAA COc1ccc([C@H]2CC(c3ccccc3)=Nc3ccccc3S2)cc1 5350470 ZVDODLRPJFDLAT-JOCHJYFZSA-N 345.467 6.053 0 50 EKAA C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 13320428 YFSQVAAUPYOTAX-JTQLQIEISA-N 342.748 5.242 0 50 EKAA Cc1nc(NC(=O)c2sc3cccc(F)c3c2Cl)sc1C 13331444 HYUODEWXWNSYBY-UHFFFAOYSA-N 340.832 5.019 0 50 EKAA O=C1CCC[C@@H]1C[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 22204978 DXWZFUPCEUMLAK-SJLPKXTDSA-N 326.823 5.066 0 50 EKAA CC1=C[C@H](C)[C@@H]([C@H]2Nc3ccccc3C(=O)N2c2ccccc2C)CC1 28985 QSUPTRRWODEWFH-SPEDKVCISA-N 346.474 5.386 0 50 EKAA Cc1ccc(CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 563732 SFTPZVMIUNHYOY-UHFFFAOYSA-N 340.275 5.174 0 50 EKAA O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1F 20435783 DHKMBLALUNDNGB-UHFFFAOYSA-N 347.604 5.108 0 50 EKAA COc1cccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)c1 64984523 ANSLBADRFZTVJY-FQEVSTJZSA-N 338.451 5.153 0 50 EKAA Cc1ccc2c(C)c(C(=O)N3CC[C@H]3c3ccc(F)cc3)oc2c1C 77438162 VPNYTJMWYXPVDN-SFHVURJKSA-N 337.394 5.084 0 50 EKAA Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C)c1 455878 OIVDNLLQRYQNBN-NRFANRHFSA-N 347.483 5.776 0 50 EKAA c1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1 614863 RMOPCVNTHPNOCX-UHFFFAOYSA-N 341.458 5.140 0 50 EKAA COc1ccccc1-c1cccc2cc(C(=O)NC3CCCCC3)oc12 1875314191 LTBRFQUZERCJAD-UHFFFAOYSA-N 349.430 5.171 0 50 EKAA O=C(c1c[nH]cc1Cc1ccccc1)N1CCCCCCCCCC1 1875342683 CJHLCYARIOTPKM-UHFFFAOYSA-N 338.495 5.182 0 50 EKAA CC1=CCC[C@H](C)[C@H]1CNc1ccccc1CN1CCc2ccccc21 2325817582 CUILKTCNRVKQLF-UGKGYDQZSA-N 346.518 5.654 0 50 EKAA O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc3ccccc3c2N1 124086 FCFATTPLAYEOGN-OAHLLOKOSA-N 342.225 5.621 0 50 EKAA COc1ccccc1C(=O)Oc1ccc(-c2ccc(C)cc2)cc1C 285447 ZXDMVZCVIQSKIQ-UHFFFAOYSA-N 332.399 5.198 0 50 EKAA COc1c(C)cc(C(=S)Sc2c(C)cc(C)cc2C)cc1C 330108 TWNOPFPJTNFROP-UHFFFAOYSA-N 330.518 5.705 0 50 EKAA Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 352928 ALPMKLOSVILSHS-UHFFFAOYSA-N 346.361 5.195 0 50 EKAA Cc1cc(C)c(NC(=O)CSCc2cccc(Cl)c2)c(C)c1 470245 AYTODIPXZGZPLT-UHFFFAOYSA-N 333.884 5.137 0 50 EKAA CCc1cccc(CC)c1NC(=O)CSCc1ccccc1Cl 470668 WQNCZVOKQITQBX-UHFFFAOYSA-N 347.911 5.337 0 50 EKAA CCSc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 1124862 CPTAKKKIMDWLEE-UHFFFAOYSA-N 326.248 5.358 0 50 EKAA CC(=O)Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1Cl 4952697 SUWBQKFAFSHQAW-UHFFFAOYSA-N 338.278 5.420 0 50 EKAA CCC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 14904059 LZSOOHLAZHOTHJ-ZCPXKWAGSA-N 330.512 5.050 0 50 EKAA Cc1cc(NCCc2cccc(Cl)c2)nc2cc(Cl)ccc12 19720627 MTPAVUHLUBXBQE-UHFFFAOYSA-N 331.246 5.505 0 50 EKAA Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1Cl 36620511 WFYLJSGAUJXYSQ-SFHVURJKSA-N 328.843 5.326 0 50 EKAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cccs1 432954 QFXYBKOBEZCENU-UHFFFAOYSA-N 336.441 5.277 0 50 EKAA Fc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1 459896 KUJGYGXPNRNERY-UHFFFAOYSA-N 329.378 5.048 0 50 EKAA COc1cc(Cl)c(C)cc1NC(=O)c1c(Cl)cccc1Cl 466816 CVFAMIZXNYEAPO-UHFFFAOYSA-N 344.625 5.216 0 50 EKAA Clc1ccc(C2=CSC(c3ccc(Cl)cc3)=CS2)cc1 4955933 YEISRKIONCELHP-UHFFFAOYSA-N 337.296 6.770 0 50 EKAA CCCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3Cl)=NN21 5523993 ODJXKWGUUXISDW-AZUAARDMSA-N 340.854 5.400 0 50 EKAA CCCCOc1cccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)c1 6042745 SSRGVEWUSAPTIF-UHFFFAOYSA-N 335.403 5.087 0 50 EKAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1F 106250 HYUMOVMAGPOCTA-UHFFFAOYSA-N 348.402 5.355 0 50 EKAA COc1ccccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C 398244 OHBLJEYDBKTBEI-UHFFFAOYSA-N 326.440 5.586 0 50 EKAA C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1 449709 VYAXUCXEWHANSU-UWJYYQICSA-N 347.483 5.397 0 50 EKAA CCCC[C@@H](CC)C[C@H](CC)COCCN(CCCC)CCCC 5298582 ZRONTZLCXUMGMO-YADHBBJMSA-N 341.624 6.538 0 50 EKAA CC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1C 11907411 SPAXPYQRRNYCQW-SFHVURJKSA-N 336.460 5.053 0 50 EKAA Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)c1 36621073 SAMUBNRZKQJMDD-KRWDZBQOSA-N 332.806 5.157 0 50 EKAA Cc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 174876 HILMUMYOYDIEDU-UHFFFAOYSA-N 344.439 5.524 0 50 EKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccco1 277300 RALZANSYNPPTKV-ZHACJKMWSA-N 344.370 5.048 0 50 EKAA Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)c1 310190 NQPCEZFIATZYKO-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2ccccc12 397006 JZGKNOHKJDYNJW-UHFFFAOYSA-N 328.367 5.039 0 50 EKAA CCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 1181424 CSMXYAUWKHEUCA-GDNBJRDFSA-N 347.823 5.046 0 50 EKAA Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4543197 NDGIKEYIJKAFEF-ACCUITESSA-N 337.806 5.560 0 50 EKAA FC(F)(F)c1cccc(NC(=S)Nc2cccc(Cl)c2)c1 13483233 LJBZBKNSZJQBBC-UHFFFAOYSA-N 330.762 5.168 0 50 EKAA Clc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1 444214 GSIPCLZEJHVFFN-UHFFFAOYSA-N 325.582 5.364 0 50 EKAA Cc1cc(C)c(NC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 998164 ZAIYAITUQHPFIS-UHFFFAOYSA-N 343.470 5.773 0 50 EKAA Cc1ccc(NC(=O)NC2CCCCCCCCCCC2)cc1F 13320197 DXAUYSDRPDYPBS-UHFFFAOYSA-N 334.479 5.929 0 50 EKAA CCn1c2ccccc2c2cc(CNc3ccc4[nH]ncc4c3)ccc21 23283258 QWTCMJVRRDOHDE-UHFFFAOYSA-N 340.430 5.303 0 50 EKAA Fc1ccc(-c2nc3cc(Cl)ccc3s2)cc1Br 1772718256 DQHGIYOINCUZOB-UHFFFAOYSA-N 342.620 5.518 0 50 EKAA COC(=O)c1ccccc1N[C@H]1CC2=C(CC1(C)C)C(C)(C)CCC2 301363 BTTMOZHWPWUFHV-IBGZPJMESA-N 341.495 5.580 0 50 EKAA O=C(Nc1ccc(Br)c(Cl)c1)c1cccc(Cl)c1 581260 ABVABNOFRABXFC-UHFFFAOYSA-N 345.023 5.008 0 50 EKAA CCOc1ccc(NC(=S)NC2CCC(C(C)(C)CC)CC2)cc1 610979 QLWQWZCPGQBPTD-UHFFFAOYSA-N 348.556 5.367 0 50 EKAA CC(C)(C)c1cc(Sc2ccc(O)c(C(C)(C)C)c2)ccc1O 2963059 XHALKWMTKWHQLO-UHFFFAOYSA-N 330.493 5.844 0 50 EKAA Cc1cccc(C(=O)Nc2cccc(-c3nc4c(C)cccc4o3)c2)c1 22340060 ZBGLCMUDJSZBAY-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Cc1cccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)cnn23)c1 27585241 REHJEIRPKJPEBM-UHFFFAOYSA-N 342.446 5.572 0 50 EKAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 36620999 HRAVAESNYOSDNA-SFHVURJKSA-N 344.842 5.108 0 50 EKAA c1ccc([C@H]2CCc3cc(C4SCCCCS4)ccc3O2)cc1 1875362976 LAIGMAWUOUESHE-GOSISDBHSA-N 342.529 6.012 0 50 EKAA COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2C=O)c1 167728 BCTQOSLNIQYSDK-MDZDMXLPSA-N 344.366 5.283 0 50 EKAA CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(Cl)cc1 398153 MPFPKPUBRPRHCD-UHFFFAOYSA-N 330.859 6.231 0 50 EKAA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2)c2ccccc2)cc1C 460793 CLRSBZPJFGMNJA-QFIPXVFZSA-N 344.410 5.084 0 50 EKAA Fc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 2845530 UCXZRIRWNPJGMQ-UHFFFAOYSA-N 341.813 5.670 0 50 EKAA O=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 2921319 OKWALNRWWRGYQR-UHFFFAOYSA-N 344.439 5.205 0 50 EKAA Clc1cc2c(c(Cl)c1Cl)N=C(c1ccccc1)NS2 4530383 ALYGEKSQPIKGNL-UHFFFAOYSA-N 329.639 5.335 0 50 EKAA O=C(Nc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 4542307 FCSLACXMLJUADJ-UHFFFAOYSA-N 348.246 5.368 0 50 EKAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C/C=C/C(C)C)n1 20538976 OQWHNOWFIDSSDV-MNQSQUENSA-N 345.490 5.031 0 50 EKAA CC(C)n1cc(Cn2cnc(-c3ccccc3)c2-c2ccsc2)cn1 65406430 IOHYBSOMAFRKQK-UHFFFAOYSA-N 348.475 5.104 0 50 EKAA O=C(Nc1cccc(C(F)(F)F)c1)OCc1c(F)cccc1Cl 230509511 LKPZWNKAJUPLQT-UHFFFAOYSA-N 347.695 5.247 0 50 EKAA CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\CC[C@H](C)O 1848442101 OMRDSKNXJYXBEL-UDUTUAATSA-N 332.572 6.673 0 50 EKAA CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21 2732193 LJUONRDTHIJUKO-UHFFFAOYSA-N 345.777 5.160 0 50 EKAA C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12 5368631 HLGGOQQVNXJQFJ-ZDUSSCGKSA-N 343.348 5.350 0 50 EKAA CCCCC[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@H]1O 13468125 YIBLLNKVEAJJCJ-KAOXLYBCSA-N 337.507 5.362 0 50 EKAA Brc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 26522348 IOAHVBDYCWBWAR-UHFFFAOYSA-N 339.232 5.695 0 50 EKAA in-vitro Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c(Cl)c1 36620849 BZCRCYMDQRYQKD-SFHVURJKSA-N 328.843 5.326 0 50 EKAA O=c1cc(-c2ccccc2)c2ccc(OCc3ccccc3F)cc2o1 46583 WKTZTCPMULPJKE-UHFFFAOYSA-N 346.357 5.178 0 50 EKAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 128739 XKXGHFRSYQPKGH-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA O=C(/C=C/c1cccs1)NCCC(c1ccccc1)c1ccccc1 460643 PMOGKLHFKUBNBZ-BUHFOSPRSA-N 347.483 5.100 0 50 EKAA Cc1cc(C)c(NC(=O)CSc2ccc3ccccc3c2)c(C)c1 2874824 YFGMYCKZXBBRQL-UHFFFAOYSA-N 335.472 5.496 0 50 EKAA CCCC(=O)c1ccc(CCCCCc2ccc(C(C)=O)cc2)cc1 3136846 BLUNRLBRXYHOLA-UHFFFAOYSA-N 336.475 5.828 0 50 EKAA Cc1ccc(C(C)(C)C[C@@H](C)NCc2ccc(Cl)c(Cl)c2)o1 5031860 MZRURWRYELJFDS-GFCCVEGCSA-N 340.294 5.741 0 50 EKAA CC(C)C[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13778064 MUSFHKHRDRKTKH-UYAOXDASSA-N 340.854 5.256 0 50 EKAA COc1ccc(N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cc1 139907343 JJVPUMVFPVRPEK-SFHVURJKSA-N 326.827 5.319 0 50 EKAA C/C(=C\c1ccccc1)[C@H]1Nc2ccccc2-c2nc3ccccc3n21 1775971276 QHFLEXLCIOVNIO-BQXQKYNTSA-N 337.426 5.731 0 50 EKAA Cc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)cc1C 37845 ZOQYTSLAFAXVOG-UHFFFAOYSA-N 341.414 5.099 0 50 EKAA Clc1ccc(-c2nc(-c3ccccc3Cl)no2)c(Cl)c1 462010 PPYVGJBQPIQOJA-UHFFFAOYSA-N 325.582 5.364 0 50 EKAA CCCCN(CC)C(=O)[C@H](Sc1ccccc1)c1ccccc1 2989374 ONBOWLBGOSMCDZ-LJQANCHMSA-N 327.493 5.169 0 50 EKAA Cc1cccn2cc(-c3ccc(NC(=O)CCC4CCCC4)cc3)nc12 4247962 CPFQMXWVQBCUAN-UHFFFAOYSA-N 347.462 5.219 0 50 EKAA CC[C@@H](NCc1c[nH]nc1-c1ccc(C)c(C)c1)c1ccc(F)cc1 12301509 HQSWQTPWYJTUEG-HXUWFJFHSA-N 337.442 5.074 0 50 EKAA OCc1ccc(/C=C\c2ccc3ccccc3c2)c(Br)c1 43763764 GQYWJYKSMBXHRM-TWGQIWQCSA-N 339.232 5.265 0 50 EKAA O=C(O)c1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1 1875354005 NZMKPZBRIWNEPC-UHFFFAOYSA-N 338.790 5.284 0 50 EKAA Cc1nc(C2CCCCC2)sc1C(=O)NC[C@]1(C)CCC[C@H]1C 1875357709 TWNODRQAXWADQZ-YJYMSZOUSA-N 334.529 5.055 0 50 EKAA Cc1ccc(NC(=O)Oc2cc(C)c(Br)cc2C)c(C)c1 397735 UEHVFDICUBAOIJ-UHFFFAOYSA-N 348.240 5.294 0 50 EKAA Clc1ccc(CSc2nnc(-c3ccccc3)o2)cc1Cl 463296 QFTFQCLSMKJAGU-UHFFFAOYSA-N 337.231 5.336 0 50 EKAA CCCN(CCC)C(=O)N1c2ccccc2Sc2ccccc21 2883002 VELWLEWVSKZOLN-UHFFFAOYSA-N 326.465 5.531 0 50 EKAA in-vivo FC(F)(F)c1cccc([C@@H](NCc2nc3ccccc3o2)C2CC2)c1 180062397 KZFXJCJTZATEKD-SFHVURJKSA-N 346.352 5.088 0 50 EKAA Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1 200762 DKPCKOKYSVPFEB-UHFFFAOYSA-N 348.356 5.395 0 50 EKAA O=C(Cc1ccccc1)Nc1ccc(Oc2ccccc2Cl)cc1 466197 PAKPSYMPNLHVQB-UHFFFAOYSA-N 337.806 5.314 0 50 EKAA Cc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 469947 FHAMOJQUDZTUMN-NSHDSACASA-N 340.275 5.421 0 50 EKAA CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2C2CC=CC2)cc1 65370605 GONRSTXKTACNHA-UHFFFAOYSA-N 343.430 5.067 0 50 EKAA CCCC[Sn](CCCC)(CCCC)OCC 170156814 SDTAGBUVRXOKAK-UHFFFAOYSA-N 335.120 5.369 0 50 EKAA Cc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 171028 YYTMIVOPJHSSFI-UHFFFAOYSA-N 347.201 5.209 0 50 EKAA S=C(Nc1cccc2ccccc12)N1CCCC[C@@H]1c1cccnc1 204197 OPWNPYKQOQUAOI-HXUWFJFHSA-N 347.487 5.159 0 50 EKAA biogenic CCOc1ccccc1NC(=O)Nc1ccccc1Oc1ccccc1 611387 SUPDJKPJLBDHAW-UHFFFAOYSA-N 348.402 5.522 0 50 EKAA O=C(c1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 1382874 XJKMUAOIBCQARE-KGLIPLIRSA-N 325.622 5.633 0 50 EKAA CCCC[C@@H](NC(=O)c1ccccc1Br)c1ccccc1 2826363 UTNLOFIEQXNRHK-QGZVFWFLSA-N 346.268 5.110 0 50 EKAA O=C(Nc1ccccc1Cc1ccccc1)c1c(F)cccc1Cl 7344802 GRAZCRBZXGVYGU-UHFFFAOYSA-N 339.797 5.322 0 50 EKAA CCOc1ccc(C(=O)CCNc2ccc(Cl)c(Cl)c2)cc1 409544 AGLAYFJEYWJNNX-UHFFFAOYSA-N 338.234 5.077 0 50 EKAA O=C(/C=C/c1c(F)cccc1Cl)Nc1cccc(Cl)c1Cl 475405 XLDGWTZZMVOHQR-BQYQJAHWSA-N 344.600 5.438 0 50 EKAA CCCCc1ccc([C@@]2(C)CC(C)(C)N(C(C)=O)c3ccccc32)cc1 2273342 WJMXZSHYYUTPJP-XMMPIXPASA-N 349.518 5.870 0 50 EKAA Brc1cccc(Nc2nc(-c3cccs3)cs2)c1 2860820 BFSVKNLYSQUYOH-UHFFFAOYSA-N 337.267 5.378 0 50 EKAA CCCCC/C=C\C/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-] 4654921 LELVHAQTWXTCLY-XYWKCAQWSA-N 325.449 5.489 0 50 EKAA endogenous,in-man FC(F)(F)c1ccccc1NC(=S)Nc1cccc(Cl)c1 13496972 RARSJTANNWNHOW-UHFFFAOYSA-N 330.762 5.168 0 50 EKAA Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)cc1 36621225 HGZUVYHRSATSCN-GOSISDBHSA-N 328.843 5.326 0 50 EKAA CSc1ccc(CN[C@H](C)c2nc3ccccc3n2C(C)C)cc1 169990837 AIDOIRJHZANUTB-OAHLLOKOSA-N 339.508 5.190 0 50 EKAA COc1ccc(-c2coc3c2c(C)cc2oc(=O)c4c(c23)CCC4)cc1 95452 VHDIAFFKCBYTSC-UHFFFAOYSA-N 346.382 5.012 0 50 EKAA Cc1ccc([C@H](CC(=O)Nc2ccccc2C)c2ccccc2)c(O)c1 302452 AHUULHCJFARUPQ-HXUWFJFHSA-N 345.442 5.170 0 50 EKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1Cl 308944 NDSFMEYOPPFZIW-UHFFFAOYSA-N 334.124 5.265 0 50 EKAA O=C(c1cc(Cl)c(O)c(Cl)c1)c1c(Cl)cccc1Cl 395142 ZROBKKIVTXPAAU-UHFFFAOYSA-N 336.001 5.237 0 50 EKAA Cc1ccc2cccc(OC(=O)Nc3ccc(Cl)c(Cl)c3)c2n1 396665 RIOQZJBJJGLMLX-UHFFFAOYSA-N 347.201 5.461 0 50 EKAA O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1cccc(Cl)c1 615338 SGNRKUUYUXOCQH-UHFFFAOYSA-N 337.810 5.728 0 50 EKAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 2838842 OLKRQUKHCPPMTP-OAQYLSRUSA-N 331.415 5.150 0 50 EKAA FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2c(Cl)cnn12 20615879 XZAJYPMVARHRAY-UHFFFAOYSA-N 347.727 5.222 0 50 EKAA CCCCCCOc1cc(C=O)c(OCCCCCC)cc1C=O 25757070 QNZNMVAGYIDUKL-UHFFFAOYSA-N 334.456 5.230 0 50 EKAA O=Cc1c(C2CC2)oc2ccc(OCc3c(F)cccc3Cl)cc12 52530500 VNRIGTINNWVQES-UHFFFAOYSA-N 344.769 5.494 0 50 EKAA O=C(C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 140487496 SXLCSNBAKSFHOH-HXUWFJFHSA-N 335.834 5.766 0 50 EKAA CCOc1ccccc1NC(=O)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 252320696 MAXNMPDTIHONSU-PELAHVRRSA-N 339.479 5.353 0 50 EKAA CCCCCn1cc(C(=O)NCC[C@@H]2CC[C@@H](C)C2)c2ccccc21 1875357437 HOCUGKPOZAEAEG-MSOLQXFVSA-N 340.511 5.388 0 50 EKAA CC(C)COc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1 316989 UTBVJSSUIBKCJC-UHFFFAOYSA-N 345.442 5.226 0 50 EKAA Cc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2913375 OVMOGLKHEDLAJI-UHFFFAOYSA-N 342.467 6.529 0 50 EKAA Cc1ccc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 2951754 PUCPYIRFSPNQDF-NRFANRHFSA-N 347.483 5.145 0 50 EKAA CCCCC(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 2972304 JALOBHQJHHXZPD-UHFFFAOYSA-N 328.799 5.277 0 50 EKAA Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)cc1 15867015 YUGYDTUJPZZVGN-QGZVFWFLSA-N 328.481 5.514 0 50 EKAA COC1=CC2=CC[C@H]3[C@@H](CC[C@]4(C)[C@H](C(C)=O)CC[C@H]34)[C@]2(C)CC1 257357322 NKWZNFOLDIHRJW-DRGMGAIOSA-N 328.496 5.295 0 50 EKAA CC(C)(C)C1=C[C@H](NCc2ccccc2)n2c(nc3ccccc32)S1 675009407 HCCUDLVOQNOBDJ-LJQANCHMSA-N 349.503 5.360 0 50 EKAA COc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 172045 LBEIRKRIBFEYKN-UHFFFAOYSA-N 346.249 5.248 0 50 EKAA Fc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1Cl 2893980 AWOMXYSDSRCERV-UHFFFAOYSA-N 341.813 5.670 0 50 EKAA Cc1ccc(C)c(-c2nc(NC(=O)c3ccccc3F)sc2C)c1 16603735 SNSBVDVLHNXGBP-UHFFFAOYSA-N 340.423 5.127 0 50 EKAA Cc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1 19324037 QEVJDYLORUHVLU-UHFFFAOYSA-N 342.486 5.012 0 50 EKAA COc1ccc(-c2ccccc2)cc1NCC[C@H](C)CCC=C(C)C 23280612 AMCHGJHVQGKKRH-LJQANCHMSA-N 337.507 6.547 0 50 EKAA Cc1ccc([C@H](c2ccccn2)[C@@](C)(O)c2cccc(Cl)c2)cc1 71767212 GXWLUVGEADLUOI-RTWAWAEBSA-N 337.850 5.083 0 50 EKAA CC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)nc1 325298433 ZFWRIMLJVMJIRU-UHFFFAOYSA-N 325.452 5.672 0 50 EKAA CO[C@H](C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 609449 OOIGNEUWRBMBOF-FQEVSTJZSA-N 349.455 5.164 0 50 EKAA O=C(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 2173384 BOBZWKBHYVNMPH-UHFFFAOYSA-N 334.418 6.252 0 50 EKAA CC1(C)C[C@H](c2ccc(Cl)cc2Cl)OC(c2ccccc2)=N1 2478847 PRNVJHAXVBAHGG-MRXNPFEDSA-N 334.246 5.680 0 50 EKAA CC[C@@H]1CCCCN1Cc1cccc(Oc2ccc(Cl)cc2)c1 4987326 ULROMQJNQYTWLK-GOSISDBHSA-N 329.871 5.897 0 50 EKAA CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(F)cc1 13325512 IWNITODUXSKFMV-UHFFFAOYSA-N 347.846 5.050 0 50 EKAA CCOC(=O)c1sc(N(c2ccccc2)c2ccccc2)nc1C 52508091 PLGWKBXYWOPZKR-UHFFFAOYSA-N 338.432 5.098 0 50 EKAA CC(C)(C)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 257346366 YUQRKSFLRITHTG-GVAABCLMSA-N 346.555 5.782 0 50 EKAA CC(C)c1ccccc1[C@H]1SCC(=O)Nc2ccc(Cl)cc21 1501056571 RDMUJSJZBYAAEF-GOSISDBHSA-N 331.868 5.238 0 50 EKAA in-vitro c1ccc(COc2cc3ccoc3cc2OCc2ccccc2)cc1 752023 DMAHPSGUIRICGN-UHFFFAOYSA-N 330.383 5.591 0 50 EKAA CCCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 1542912 JDLSRXWHEBFHNC-UHFFFAOYSA-N 337.341 5.406 0 50 EKAA in-man CCCCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 2881227 UNCPHUHGLRTQTA-UHFFFAOYSA-N 345.442 5.785 0 50 EKAA Clc1ccc(OCCCCOc2cccc3cccnc23)cc1 2985579 UCRXGIMNVJYKKQ-UHFFFAOYSA-N 327.811 5.126 0 50 EKAA Cc1ccc(OCCCn2c3ccccc3c3ccccc32)c(C)c1 2992878 HXLGYVSRBYMKDB-UHFFFAOYSA-N 329.443 5.880 0 50 EKAA CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 14256342 CFIUWJCTZKTNJT-INIZCTEOSA-N 345.508 5.199 0 50 EKAA Cc1ccc(-c2coc3c(C)c4oc(=O)c5c(c4cc23)CCC5)cc1 95305 RDXWRPDDILKISV-UHFFFAOYSA-N 330.383 5.312 0 50 EKAA biogenic Cc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1 142487 QTYZTGSGHVFGKS-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA Cc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2n1 143870 YKNHXABRNWDVCQ-UHFFFAOYSA-N 337.637 6.247 0 50 EKAA Cc1sc(NC(=O)c2ccccc2)nc1-c1cccc(Cl)c1 151143 OLVHRXRAJDRRSK-UHFFFAOYSA-N 328.824 5.024 0 50 EKAA Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)c3ccccc3)sc2c1 186000 QRYDTWDHWGGVTG-LBPRGKRZSA-N 329.852 5.354 0 50 EKAA CCOC(=O)c1c(-c2ccccc2)oc2c1cc(O)c1ccccc12 434358 USIRPNREJAXXAJ-UHFFFAOYSA-N 332.355 5.135 0 50 EKAA Cc1cc(C)c(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)c1 578903 BHBTZEXRUJPNAC-UHFFFAOYSA-N 345.442 5.296 0 50 EKAA Cc1ccc(SCc2ccc(C(=O)N3CCCCCC3)cc2)cc1 1076938 CTEQYQNLPRFENQ-UHFFFAOYSA-N 339.504 5.304 0 50 EKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3cccc(Cl)c3)nc12 2526021 WVPKGCVEUAVGTK-UHFFFAOYSA-N 332.186 5.215 0 50 EKAA CCCC[C@H](CC)COC(=O)/C=C/C(=O)OC[C@@H](CC)CCCC 3875948 ROPXFXOUUANXRR-BFRYPLHYSA-N 340.504 5.062 0 50 EKAA in-vitro c1csc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 4953280 XWEFWNXAUVOFPC-UHFFFAOYSA-N 328.440 5.891 0 50 EKAA in-vitro Cc1ccc(CSc2cc(C)nc3c(-c4ccccc4)cnn23)cc1 5576414 CKZFGYWDKYEVGV-UHFFFAOYSA-N 345.471 5.305 0 50 EKAA Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)c1 36620461 ABSVZEYWACCZBB-SFHVURJKSA-N 328.843 5.326 0 50 EKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3CC(=O)[C@]3(Sc3ccccc3)C[C@@H]12 71786662 XHVHSWFBPDZYLU-PAMRQWRISA-N 328.521 5.589 0 50 EKAA CCCc1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1 316722 WTQCGDHZGSCTSS-UHFFFAOYSA-N 333.435 5.142 0 50 EKAA Cc1cccc(Cl)c1NC(=O)Nc1ccc(Cl)cc1Cl 398103 JZLRPDITNQAUED-UHFFFAOYSA-N 329.614 5.599 0 50 EKAA C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(Cl)c(Cl)c1 408602 APNAZUSIMDJSJV-GFCCVEGCSA-N 337.250 5.136 0 50 EKAA O=C(Oc1ccccc1)c1cccc(COc2ccccc2Cl)c1 614093 CTIHHZOAKKZRFH-UHFFFAOYSA-N 338.790 5.138 0 50 EKAA CC[C@H](C)Oc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 4915133 MSRGZWOXCICCJO-YCRPNKLZSA-N 345.442 5.491 0 50 EKAA CC(C)c1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 475495 WBGFVNLEKACYFS-UHFFFAOYSA-N 340.423 5.325 0 50 EKAA COc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 567520 KXVIPVNVOOFUMQ-UHFFFAOYSA-N 349.455 5.240 0 50 EKAA Clc1nc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1 1660476 VTXIJSKJUMZHBW-UHFFFAOYSA-N 342.829 6.131 0 50 EKAA CC(C)c1cccc(C(C)C)c1OCCCCCN1CCCCC1 2900993 IZNJBQDUSUETCW-UHFFFAOYSA-N 331.544 5.968 0 50 EKAA Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccs4)c3)nc2c1 4676402 MIKYIGGFPLYBBJ-UHFFFAOYSA-N 348.427 5.425 0 50 EKAA Cc1cc(C)cc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 433998 ZEZLIGICCCZCIL-UHFFFAOYSA-N 342.398 5.364 0 50 EKAA Clc1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1 535511 OQTHIYMKOOKTQY-UHFFFAOYSA-N 325.582 5.364 0 50 EKAA O=C(N/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 3138875 BFPZNOBWLXJSFX-CMDGGOBGSA-N 340.732 5.151 0 50 EKAA CC(C)n1ccnc1Cn1ccnc1-c1ccccc1-c1ccccc1 77437669 NMYQRFXVEDSXIV-UHFFFAOYSA-N 342.446 5.043 0 50 EKAA Cc1ccc(SC(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 100627329 QMOAHTFBGSGMRT-UHFFFAOYSA-N 346.451 5.222 0 50 EKAA COc1ccc(CNc2cccc(F)c2)cc1OCc1ccccc1 280236 NDNJWCQERNYTTM-UHFFFAOYSA-N 337.394 5.025 0 50 EKAA Cc1ccc(Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 2553780 SXJVABHMRHEPRS-UHFFFAOYSA-N 338.414 5.258 0 50 EKAA CCc1ccc(-c2csc(NC(=O)Nc3cccc(C)c3)n2)s1 2762039 DUYOPAHUUBGMGC-UHFFFAOYSA-N 343.477 5.386 0 50 EKAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCC[C@@H](C)C1 5031991 KRKMMZSRMPAPEH-MRXNPFEDSA-N 349.474 5.649 0 50 EKAA CCCCOc1ccc(C(=O)Nc2ccc(CCCC)cc2)cc1 6138502 PYNDXOFQMZTMQY-UHFFFAOYSA-N 325.452 5.460 0 50 EKAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCCC[C@@H]1C 22077734 DJWXEXLOUZGHIB-INIZCTEOSA-N 349.474 5.791 0 50 EKAA O=C(Nc1cccc2ccccc12)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 245238344 LDWOCVLKNFPNQW-DQIDCUNCSA-N 345.486 6.107 0 50 EKAA COc1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)sc2c1 685944655 LUULYRODHVOZEU-RUDMXATFSA-N 335.350 5.494 0 50 EKAA CCC[C@@H](NC(=O)c1cccc(OC2CCCCC2)c1)C(C)(C)C 1875357535 KTAFIMNEALKKHQ-LJQANCHMSA-N 331.500 5.343 0 50 EKAA Cc1cccc(NC2=C3CCCC=C3N(c3cccc(C)c3)C2=O)c1 1422858 LSAFVGRCGBBSNF-UHFFFAOYSA-N 330.431 5.084 0 50 EKAA CCc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)s1 2526090 GPSLJCVHQOCPHD-UHFFFAOYSA-N 331.824 5.186 0 50 EKAA COc1ccc(Cl)cc1Nc1nc(-c2ccc(F)cc2)cs1 2561873 DGJICWQWEOTZEW-UHFFFAOYSA-N 334.803 5.355 0 50 EKAA Clc1c(Cl)c(Cl)c(N2CCCCC2)c(Cl)c1Cl 15781915 UUNNMLWHMNLUCM-UHFFFAOYSA-N 333.473 5.944 0 50 EKAA CC[C@H](C)c1ccccc1NC(=O)Cc1ccc(Br)cc1 319023 SYXYPXILDRSPQF-ZDUSSCGKSA-N 346.268 5.144 0 50 EKAA CCn1c(C)c(C)c2cc(C(=O)NC3CCCCCCC3)ccc21 371642 QOSJEQUCSVVTBI-UHFFFAOYSA-N 326.484 5.121 0 50 EKAA CC(C)c1ccccc1OCCn1c2ccccc2c2ccccc21 2993155 QMBPQYWKGUXUGT-UHFFFAOYSA-N 329.443 5.997 0 50 EKAA O=C1c2c(cc3ccccc3c2-c2ccccc2)CN1Cc1ccccc1 3132245 KCIFSGTXEPAHQS-UHFFFAOYSA-N 349.433 5.663 0 50 EKAA Cc1ccc2sc(-c3ccc(NCc4cccnc4)cc3)nc2c1 15746317 JRORWBXYOZTUBJ-UHFFFAOYSA-N 331.444 5.279 0 50 EKAA Cc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)c(Cl)c1 15867002 YCDAJWGJOHHEAE-INIZCTEOSA-N 348.899 5.859 0 50 EKAA COc1ccc(OC)c2c(C)cc(N[C@H]3CCCc4ccccc43)nc12 23633920 JWHVCQGATSQKHW-KRWDZBQOSA-N 348.446 5.050 0 50 EKAA