smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 8819742 AECUJDCIJIKMIX-PGMHBOJBSA-N 438.618 5.704 10 40 IKCB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)o1 8965970 NNPUCVSIVDOQHB-KRWDZBQOSA-N 433.533 5.516 10 40 IKCB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025249 ALQFJHQEHCGVAJ-VWLOTQADSA-N 445.563 5.101 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 222701552 HKTCNSPIYPBMAI-BUUDZMLXSA-N 430.621 6.085 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1 223094903 MHDHBDSZEYPDMJ-IZZNHLLZSA-N 444.648 6.103 10 40 IKCB CC(C)COc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 408600024 RGHJWCMPCPXIGS-WOJGMQOQSA-N 448.407 5.890 10 40 IKCB Cc1c(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cccc1[N+](=O)[O-] 408973085 YNGUWULYOVZVJO-ATVHPVEESA-N 441.365 5.512 10 40 IKCB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 408998763 OFCPPVZVRQGHNS-QNEJGDQOSA-N 448.526 5.989 10 40 IKCB Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccc(Br)cc4)o3)CC2)c1 9368721 FXLMEKAQHVBQPB-UHFFFAOYSA-N 441.394 5.515 10 40 IKCB O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 13017201 GMSRVHULTIHZRR-RFUMYBEHSA-N 436.436 5.576 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1 16292721 FXKNPIPKPHZWQI-JCMHNJIXSA-N 437.524 5.225 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C(=O)N=C2S1 71328734 XPLBCQXZVHGDCB-IXJADQOWSA-N 433.581 5.637 10 40 IKCB CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc23)C1 100650993 LWTOUQIZYBPKCQ-CBZJRKILSA-N 443.547 5.443 10 40 IKCB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 224352940 VOWYOMNCXVSCQA-CLJLJLNGSA-N 438.600 5.920 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1C 260737476 KMBHHZQCCIUJQN-PKOBYXMFSA-N 439.625 5.456 10 40 IKCB O=C1/C(=C\c2ccccc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 408752879 DADHEKMGEVDGGS-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408849212 ZAXLGRKDVPJEHI-CPNJWEJPSA-N 438.270 5.736 10 40 IKCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc23)c1 408940107 UDVLFFXEHUQGDH-UQQQWYQISA-N 448.478 5.085 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1C 408971355 ISKGTNSFDJVNFS-STZFKDTASA-N 437.465 6.059 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 409154806 HMNQUAMFGCMYDS-PPJWLVRDSA-N 428.557 7.022 10 40 IKCB CCN(CC)Cc1cc(Nc2c3ccc([N+](=O)[O-])cc3nc3ccc(OC)cc23)ccc1O 5011557 WEISLJCDBVPIPS-UHFFFAOYSA-N 446.507 5.596 10 40 IKCB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1 9805178 FLILAMIIHKBRPE-DFIYOIEZSA-N 434.536 5.761 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCCC[C@H]2C)c1O 11869535 BTPBRWYLFXBRFQ-MRXNPFEDSA-N 445.563 5.298 10 40 IKCB biogenic CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3o2)cc1 16678583 NBJYOTKSERSRNW-UHFFFAOYSA-N 449.938 6.255 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(O)c3)C2=O)cc1Br 34771772 FSISJELSTTZDRA-LDADJPATSA-N 448.316 5.635 10 40 IKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 36080607 JVBJVJCAYQYBSZ-DXBVXKBHSA-N 426.516 6.617 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 219005440 LNWXAQKICGCUKN-QHCPKHFHSA-N 426.604 6.199 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)cc21 222817220 VJEGXGJRFFIKAG-FGZHOGPDSA-N 441.044 5.748 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 408776141 ULKFLQXQZOTSQV-LMSRTUJASA-N 431.605 5.873 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(OCC)c3)C2=O)cc1 408983820 CYDMYISUZZCRIO-LTGZKZEYSA-N 445.946 6.609 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc2c(c1)OCO2 408985058 LDIXQVTWQCGJSB-LICLKQGHSA-N 436.294 6.193 10 40 IKCB CC[C@H](C)n1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c21 409046389 KBRXMMZYYYLJHB-YIRPMMGJSA-N 439.481 6.578 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1cccc2ccccc12 409205658 JDOKMYGCFQGECO-VFCFBJKWSA-N 440.546 7.466 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2)cc1 409241550 YGWMVXZVJLOLQS-HZHRSRAPSA-N 442.540 5.429 10 40 IKCB Cc1ccccc1Nc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O 6444190 IHURJJHSHBKYJK-UHFFFAOYSA-N 432.479 5.766 10 40 IKCB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCc1cc([N+](=O)[O-])ccc1O 8453510 ZBMNCDSLPYJJTF-GMQQYTKMSA-N 436.596 6.224 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 9309684 ZLDAHPXUGYLZLW-RQFVJUFOSA-N 441.560 5.523 10 40 IKCB CCNc1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc12 22013586 POGFPZCWAIFSIW-UHFFFAOYSA-N 439.603 5.688 10 40 IKCB Clc1cccc2c1N[C@@H](c1ccc(OCc3cccc4ccccc34)cc1)[C@H]1CC=C[C@@H]21 408736039 BNXSNQFBWDNTFI-QQNWGBJXSA-N 437.970 7.899 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc2ccccc2c1 409135567 ZDZXFVPMMFEKTM-PCLIKHOPSA-N 444.600 6.864 10 40 IKCB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 409197932 SFERNJKTMWYAHZ-HYARGMPZSA-N 442.519 5.850 10 40 IKCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 8821810 ARONAIKWUJMONO-YBFXNURJSA-N 438.892 5.689 10 40 IKCB O=[N+]([O-])c1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 9009403 UJZTVMYYTRHVOU-UHFFFAOYSA-N 427.913 5.006 10 40 IKCB Cc1cccc(Cn2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c1 9805533 WBCXCLOAVWHZBC-QRVIBDJDSA-N 444.581 5.992 10 40 IKCB Cc1cccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 13898071 MRVYYNRBIWZAPG-UYRXBGFRSA-N 433.982 5.327 10 40 IKCB Cc1cccc(COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1 13940497 NGVLNKXIKVRMOD-HAHDFKILSA-N 431.582 5.975 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1 34713460 XGKCMNPYIDYPKA-TUKHXMGSSA-N 445.592 5.602 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 223495746 OUEWIUQESCAGOL-XKZIYDEJSA-N 433.527 5.329 10 40 IKCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c1 260568183 NTKPWPZOCPPJEF-MNOULKQQSA-N 445.563 5.000 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(C(=O)O)c2)cc1 408781108 AHNKCVRNCWOQIJ-DEDYPNTBSA-N 426.428 5.073 10 40 IKCB CCCOc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 408875197 HBESYIKHXWZFTQ-UHFFFAOYSA-N 426.472 5.059 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3)C2=O)cc1Br 408983385 BMWLSTIPZRDHRA-HMMYKYKNSA-N 446.344 6.319 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC 409347777 MTIGONQDDQZRIL-MFOYZWKCSA-N 440.373 5.807 10 40 IKCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 9188547 CJPZJDFPLZCNKA-AUWJEWJLSA-N 445.190 6.162 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(O)=NC2=S)cc1 27520695 QICOTCQIKHVHRZ-OEAKJJBVSA-N 443.572 5.691 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 27549231 INBZCDDOKAVWOE-LCQIMXFNSA-N 446.919 5.462 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)SC2=S)cc1C 409339668 KHGABXZUZDPGRA-MTJSOVHGSA-N 449.553 5.976 10 40 IKCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc3ccccc3c2)C1=O 8819320 FTAFQNOTSXSKFX-QNGOZBTKSA-N 448.569 5.078 10 40 IKCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1Cl 8820352 WIJRFPWLIUBUBB-MAHQCVNESA-N 449.384 5.390 10 40 IKCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(-c2ccccc2)[nH]c2ccccc12 9359695 CZPVXVSAEPOXQI-XSFVSMFZSA-N 441.874 5.155 10 40 IKCB CCOc1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1OC 12412016 XGYUUVIITNBCBU-HAVVHWLPSA-N 436.577 5.019 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)cc1Cl 83309650 LVERMKNQXQIRRX-VXLYETTFSA-N 437.883 5.151 10 40 IKCB O=C(CCc1nc(-c2ccco2)no1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 84522607 UQCITIDNPFDASO-RUZDIDTESA-N 439.471 5.027 10 40 IKCB CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 96193404 PBSNBAQSOZBUFV-PDGQHHTCSA-N 443.341 5.443 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 222792272 SYGLZJGBMQNHRR-FCHUYYIVSA-N 441.000 5.144 10 40 IKCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1-c1ccccc1 224621941 YCXMRMOPGVBIKO-ZEQRLZLVSA-N 426.545 5.063 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1F 225015001 JZYUENJIAFUBIK-BJKOFHAPSA-N 434.584 5.543 10 40 IKCB C[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 225670507 YHJTUDIASANRNU-MOPGFXCFSA-N 436.625 5.097 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 260772152 MMCNJHRNFCOQIE-QFWMQHCXSA-N 432.593 5.477 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2)cc1 408533042 PKXUQSRRBPBYNO-JCMHNJIXSA-N 433.623 6.860 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 408759459 FIMCXILESBDZEO-CJLVFECKSA-N 447.332 5.682 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2Cl)cc1 408762990 DBDYCUURDFTMIF-PXLXIMEGSA-N 446.890 5.271 10 40 IKCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)C1=O 409016324 TVWMKPNIHQIUFI-PBFYJAPKSA-N 432.929 5.281 10 40 IKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc2ccccc12 409022462 OVDPVFUAWBQPOU-FBHDLOMBSA-N 438.310 6.024 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)c1 409328267 QYWCGVMLKTWMHW-HYARGMPZSA-N 449.622 6.393 10 40 IKCB CCN(CC)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3Cl)C2=O)cc1 8863631 BVKHFEVZSKBNDB-PTGBLXJZSA-N 429.951 6.021 10 40 IKCB COc1ccc(-c2c(C)oc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1OC 9065644 HERFLOACOIJPFO-UHFFFAOYSA-N 445.515 5.123 10 40 IKCB biogenic O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 9232282 XFPQKTJLQRCUAJ-MKMNVTDBSA-N 429.281 5.447 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 35040735 WKBFUTCLZTXFMR-CPNJWEJPSA-N 429.563 5.158 10 40 IKCB O=C(O)c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21 58845655 CFQHKEPROCSUGD-GLDPYIMESA-N 446.528 5.012 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1C1CCCCC1 59418179 JXPFLLRGSQEJGI-KGENOOAVSA-N 427.566 5.939 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc2ccccc12 222825720 UBUUNYCRCJQQGR-CLJLJLNGSA-N 440.616 6.023 10 40 IKCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 223031416 MRZKFMSAGUXAQE-DVECYGJZSA-N 429.004 5.920 10 40 IKCB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1 224550546 CORXCINIKYYGPJ-DQEYMECFSA-N 440.572 5.366 10 40 IKCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225014797 QTRLXUZRUQQMKM-FTJBHMTQSA-N 444.648 5.967 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(F)cc1 225015380 VSKZGSZGNAQOTG-ZEQRLZLVSA-N 434.584 5.543 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1C 260737472 KMBHHZQCCIUJQN-HKUYNNGSSA-N 439.625 5.456 10 40 IKCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1C1CCCC1 408768553 HATGNRZKUIZBAZ-LICLKQGHSA-N 446.334 5.193 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc3c(c2)OCO3)cc1 408780199 VDLIVKXMASAWDR-XDHOZWIPSA-N 426.428 5.103 10 40 IKCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc2ccccc12 408783365 KQCUWFSWXYVYQS-MHWRWJLKSA-N 444.796 5.178 10 40 IKCB O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc2ccccc2c1 408975212 KKXNKHMALWHJLI-UHFFFAOYSA-N 449.513 7.495 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408989912 VOAUBNOCQMUWMC-NDENLUEZSA-N 440.337 5.450 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)SC2=S)cc1Cl 409329733 HMXKQQVEOKBRHK-ODLFYWEKSA-N 428.966 5.555 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 409332802 RIDMEOYKOAEIFK-VGOFMYFVSA-N 428.735 5.647 10 40 IKCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c1 9311516 NPAFLOKDLZQKPK-LFVJCYFKSA-N 427.504 5.077 10 40 IKCB Cc1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 9805634 LSWJWYWVACNKDN-QZQOTICOSA-N 438.347 5.053 10 40 IKCB O=C(NCc1ccc(N2CCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 10113497 SUJNENLUZAUDBT-XIEYBQDHSA-N 427.504 5.052 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCCSc3ccc(C)cc3)c(OC)c2)SC1=S 12285414 HUACHUCMTYOONS-ZHZULCJRSA-N 445.631 5.396 10 40 IKCB Nc1c(C(=O)Nc2ccccc2)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O 13838160 SGDXJQWIHALIHF-UHFFFAOYSA-N 433.467 5.040 10 40 IKCB Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1Cl 20711290 NUOIGBKNJVBSHK-SEDUGSJDSA-N 442.127 6.425 10 40 IKCB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 222937730 PNZIDHDSCUSQIB-LVXARBLLSA-N 436.640 6.255 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(Br)cc3)cc2)CC1 225654207 JWNYWKUSCZYGJB-INIZCTEOSA-N 432.431 5.733 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccccc3I)cc2)C1 260466345 RBSSAUXJOJLJQJ-HOTGVXAUSA-N 448.348 5.019 10 40 IKCB COc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c(OC)c1 408722845 NWPFMFRNCIFNJG-UYRXBGFRSA-N 448.902 5.918 10 40 IKCB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2)c1 408876986 RTCYGDHBKORRKR-LFVJCYFKSA-N 438.527 5.177 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 408893887 OBUOFDGJUKZREG-ULJHMMPZSA-N 439.511 5.451 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 408985410 LVLOKOKNNJJXHK-XMHGGMMESA-N 428.444 5.170 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC 409339643 JYQJGHQDFZRYOE-MFOYZWKCSA-N 440.373 5.807 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@H]1CC=C[C@@H]1[C@@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8443284 LWUPMVGMGQEQBX-DJIOSBNXSA-N 448.360 6.042 10 40 IKCB CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820507 FXXFDKJITZUDTL-DVYYXOILSA-N 428.623 5.015 10 40 IKCB COc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(O)=NC2=S)c1 9012840 IZQPJYVURAGPDS-XKZIYDEJSA-N 445.544 5.083 10 40 IKCB CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)c1 9310455 NQBLEYMREKIFSA-KGENOOAVSA-N 449.553 5.525 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)N21 260781610 UAVJJNWGUZEXSL-DSBYRVASSA-N 444.648 6.394 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)cc1OC 408754246 JKZSTDXMERQSSP-KGENOOAVSA-N 431.919 5.824 10 40 IKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 408826846 DHKTUIHJGBYWNL-YZIHRLCOSA-N 425.915 7.171 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1 408986261 PGMPTOLNVQRCEG-CAPFRKAQSA-N 431.919 6.219 10 40 IKCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(C(=O)OC)=C1C 409013709 NPORXEQHSWVNTJ-YVLHZVERSA-N 433.335 5.093 10 40 IKCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 409123398 GDBIJZWIZNBBTI-STZFKDTASA-N 448.931 5.319 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)CC 409339149 FGZUFGGELNDQQZ-KELUXRKGSA-N 431.554 5.808 10 40 IKCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc(Cl)cc(Cl)c1 1263880 KEYXZSPWIRUVKA-XNTDXEJSSA-N 441.361 5.207 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCCC[C@@H]2C)c1O 11869533 BTPBRWYLFXBRFQ-INIZCTEOSA-N 445.563 5.298 10 40 IKCB biogenic Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2C)cc1 12532390 ONTHDVGYZBNWIF-IFDVCUOJSA-N 448.607 5.280 10 40 IKCB CC(=O)Nc1c(C)cc(C)c(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C 12589225 YEFOHVIPIYHHDB-UHFFFAOYSA-N 432.520 5.018 10 40 IKCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 17144361 HUPAWNYXSZHLJT-UHFFFAOYSA-N 426.756 5.778 10 40 IKCB O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 169683725 WKHHQLYYQNVCOK-MOXQZVSFSA-N 445.946 5.533 10 40 IKCB CC(C)(C)c1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(C(C)(C)C)c1O 408533910 RHZKGGAATNWKQU-CPNJWEJPSA-N 443.609 6.532 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C 408755966 GNXUEFPLQUFRLT-BUVRLJJBSA-N 440.934 6.102 10 40 IKCB COc1cc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)ccc1Cl 408757309 LWKMPCVEYOHYRJ-FYJGNVAPSA-N 434.927 5.266 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3OC)C2=O)cc1OC 408763559 GBTFMFVNQFIVIL-XMHGGMMESA-N 447.918 5.837 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1c1cccc(Br)c1 408840613 CRXSQHAMUMGSIV-XSFVSMFZSA-N 433.305 5.292 10 40 IKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1OC)N2 409163945 ACNJSLPWTUHKOZ-QHRIQVFBSA-N 448.744 5.724 10 40 IKCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O 409340263 TUAGHLFJVUEBJM-BOPFTXTBSA-N 434.380 5.562 10 40 IKCB CC(=O)N1CCCCCCCN(Cc2ccccc2C)Cc2cc(N3CCOCC3)ccc21 643563021 CYAYYHNVAAIYDW-UHFFFAOYSA-N 449.639 5.151 10 40 IKCB CCCCCCOC(=O)c1c2c(n3cc4ccccc4cc13)C(=O)c1ccccc1C2=O 3635768 ORCDTCBUHHLMTQ-UHFFFAOYSA-N 425.484 5.605 10 40 IKCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 6144599 WVDIMIVWIGYONS-XLNZFTOWSA-N 441.402 6.836 10 40 IKCB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 15945510 CPFMKKWQEPOTEB-BOPFTXTBSA-N 429.929 5.379 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)nc1 223105306 YINWOIPFROXWKK-JWQCQUIFSA-N 445.636 5.498 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Br)cc3)cc2)CC1 225654188 JWNYWKUSCZYGJB-MRXNPFEDSA-N 432.431 5.733 10 40 IKCB Clc1ccccc1COc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1 408736124 GPYMUMHLVZDGLD-QQNWGBJXSA-N 437.970 7.899 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 409072874 LLSLIJVXZGQOJN-HYARGMPZSA-N 446.890 5.423 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 32109396 AVKJWDCYYDPXMP-VRENQZFPSA-N 430.942 5.503 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc2C(C)=CC1(C)C 208518671 HGWLQIXWANVAML-XKZIYDEJSA-N 435.568 6.238 10 40 IKCB Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C 223617049 DCPRZZJZEDTICQ-JVMBGAFUSA-N 431.580 5.589 10 40 IKCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 408902709 QGJFEJRCRYKXNY-XDHOZWIPSA-N 438.486 5.269 10 40 IKCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 409054759 BJZNPTDMGJOPRP-NHDPSOOVSA-N 440.971 5.385 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1Cl 409173319 OXMBFVAEBGZDGH-XDHOZWIPSA-N 426.303 5.498 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)C 409352014 VNWGVZBAPBBBPQ-BKUYFWCQSA-N 427.591 5.895 10 40 IKCB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 4132901 QTFBGSKBYZNYHK-BTDLBPIBSA-N 435.387 5.221 10 40 IKCB CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C2CCCCC2)cc1 9288916 LVXCQAZKAGHJIK-UHFFFAOYSA-N 432.572 5.019 10 40 IKCB O=C(OCc1c(F)cccc1Cl)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 12614827 JQZSRYXHNZRKGS-UHFFFAOYSA-N 429.230 5.265 10 40 IKCB CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 33391818 BRYDTZLOWJWVDZ-VULIGXMUSA-N 441.618 5.879 10 40 IKCB Cc1cc2c(cc1C)N[C@@H](c1cc(Br)ccc1O)C1=C(O)CC(C)(C)CC1=N2 101060429 FUPPOJVVPYHIHF-QFIPXVFZSA-N 441.369 6.643 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1cccc(F)c1 408744075 WFIVGVHPXRJENO-FYJGNVAPSA-N 446.474 5.793 10 40 IKCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O 409331876 PEDYCJMSZRMQFN-WQRHYEAKSA-N 448.407 5.870 10 40 IKCB CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)SC1=S 409341778 CBKHGRAIMMBNAO-JCMHNJIXSA-N 440.634 5.723 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1 9161433 ZBMVKMYTMOZFCD-OMYHDSEFSA-N 441.560 5.667 10 40 IKCB COc1ccccc1NC(=O)CC(=O)n1nc(C)c(/N=N\c2ccccc2Cl)c1C 104282160 GNPBGPJMZIFDTK-IZHYLOQSSA-N 425.876 5.246 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 222699174 JXKDGJOTPSZTDE-GKVQRAMASA-N 432.593 5.477 10 40 IKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Br)c(Cl)c1 408966686 NOIFSQFNZLAYCH-UHFFFAOYSA-N 425.551 6.631 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408968728 YGWIKAMHTOVYEG-JLPGSUDCSA-N 427.548 5.485 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC1=S 409004911 CDKZIBHETXHIIA-YVLHZVERSA-N 434.926 5.048 10 40 IKCB Brc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 409176246 ZEEWUFXYZKASPQ-HWBMXIPRSA-N 448.429 7.568 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)c1 409222245 WIUMHUQMSXISAQ-HKWRFOASSA-N 444.581 5.286 10 40 IKCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409328021 PDQGVCPPSDWTLI-MOSHPQCFSA-N 434.498 5.793 10 40 IKCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 409344728 GSAPEQBQLDGOFY-VGOFMYFVSA-N 428.735 5.647 10 40 IKCB Cc1cccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2228331 VUXYITIJBMWLIU-IAGOWNOFSA-N 439.515 5.705 10 40 IKCB Cc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 3293860 GEXHOKVTZNJKML-DHZHZOJOSA-N 442.342 6.149 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 4106902 BVPSPISRKNHRDE-RGVLZGJSSA-N 426.900 6.128 10 40 IKCB CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cn(C)c3ccccc23)SC1=S 6147109 KZCNSBAKIMCWPJ-FYJGNVAPSA-N 444.585 5.252 10 40 IKCB Clc1ccc([C@H]2Nc3c(I)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1 6445337 DACBWLIZQKHTQJ-PRXAMGSTSA-N 442.127 6.425 10 40 IKCB CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 8819696 DKWYVMGOZZODIE-QGBVPWCLSA-N 430.639 5.239 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c3ccccc3C2=O)c1 12550188 LAYHFUFVOMNLJX-VEILYXNESA-N 446.550 6.439 10 40 IKCB CCCOc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 408736112 FQPMBUJFWTXWFI-LQWHRVPQSA-N 431.317 5.907 10 40 IKCB COc1cc(Br)cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)c1OC(C)=O 408742261 OARQYEJAHFCHRJ-AUWJEWJLSA-N 449.684 5.018 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)cc1C 408760664 CNWYNFCLJSQLTH-WSDLNYQXSA-N 447.922 5.031 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3C)c3ccccc23)SC1=S 409128167 RSTKVDLAHFEJAF-JCMHNJIXSA-N 436.602 5.640 10 40 IKCB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1ccc(F)cc1 924766 BXALHCRJIBVUBE-UHFFFAOYSA-N 425.460 5.200 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc1 13774316 DRZJKYBZELNASG-RGEXLXHISA-N 428.554 5.008 10 40 IKCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccc2ccccc12 16771384 LMGINEAFXPWKEC-CRBYHUFUSA-N 430.554 5.236 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 41083381 KJNSWURSVOVVOB-UTQUROFUSA-N 439.972 5.475 10 40 IKCB Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@@H]3C=CC[C@H]32)c1 43769601 YVIFCSCQCFPNQE-NOTUOJBMSA-N 444.600 6.239 10 40 IKCB CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422813 VVXGBWYFTUJYOY-KEBDBYFISA-N 440.634 5.259 10 40 IKCB COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)c1 408760478 ZGABQRUFVWOGIE-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1C 408967321 PXNHHTWGKZJPAM-IWIPYMOSSA-N 430.573 6.201 10 40 IKCB O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccccc1 409106771 OZFDFQOSVWYDDS-ZHZULCJRSA-N 440.014 6.897 10 40 IKCB Cc1cc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)ccc1Br 409162144 RXHUYZZSKYRHIJ-NRFANRHFSA-N 426.383 5.862 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)cc1[N+](=O)[O-] 409347775 RGTFMZHQJBKIPZ-UNOMPAQXSA-N 428.535 5.697 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1O[C@H](C)CC 409350462 RMCDFDKNPZNGFU-ZFMLPXDISA-N 427.591 5.977 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 2169761 LFICQEATRHFBGJ-JAIQZWGSSA-N 437.448 5.329 10 40 IKCB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(OC)c2O)N3)C1 8919868 DNRNWSQLRCAIST-JEOXALJRSA-N 434.989 6.086 10 40 IKCB O=C1c2cc(Cl)c(Cl)cc2C(=O)c2c1c(O)c1cc(Cl)c(Cl)cc1c2O 13304527 PBKNTNXGMOCTKW-UHFFFAOYSA-N 428.054 5.640 10 40 IKCB COc1ccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)cc1OC 59401587 ODOXXIJCEKIDHQ-XJCBTKLQSA-N 437.495 5.306 10 40 IKCB COc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 408837416 FAKMZRQAAIKLSC-VHSZZVNMSA-N 441.527 6.107 10 40 IKCB CC(C)n1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 409350755 YXBOQQXZKZYPMB-GRSHGNNSSA-N 446.519 6.647 10 40 IKCB COc1cccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1 798211 OUQJQWDNBXXIPT-UHFFFAOYSA-N 438.549 5.127 10 40 IKCB CCCCOC(=O)c1sc2nc(C(F)(F)F)c(C(=O)c3cccs3)cc2c1N 9420171 YGCREIQCMDDQFM-UHFFFAOYSA-N 428.457 5.147 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 208253232 DUADAYRXFXCSJU-FHOUHHFSSA-N 441.934 5.294 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 208459835 UUFORWCSMIOUQT-UUYOSTAYSA-N 436.552 6.002 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 208470343 KJQSJGAYVKKUAC-JMIUGGIZSA-N 439.918 5.204 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222969246 HEZAGMQBZNXQLH-LOSJGSFVSA-N 432.637 5.879 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 223566277 WWBZHYVZQKTBNV-QHSFOXILSA-N 448.632 6.732 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408795673 MSYYJYSOINCPFQ-RGEXLXHISA-N 445.437 5.371 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C 409020425 PCXAULRFBGFSDD-JLPGSUDCSA-N 440.543 5.588 10 40 IKCB COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)sc2c1CCCC2 409200466 SKKOKLLQTHYNSQ-XSFVSMFZSA-N 446.572 5.338 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)o1 409211782 MZPRWGXAZCJVOI-STZFKDTASA-N 433.485 5.232 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)SC2=S)c1 409346920 OSYIMNDNFCUWFX-BKUYFWCQSA-N 448.569 5.507 10 40 IKCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 1238899 BIZANWFVFJMDEB-FYJGNVAPSA-N 449.894 5.263 10 40 IKCB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)ccc1OC(C)C 1296592 KFYIFMFAWHQPLY-NDENLUEZSA-N 435.574 5.535 10 40 IKCB Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)c2c1C 1465501 CHJKEYKBVFEJFN-UHFFFAOYSA-N 425.554 5.830 10 40 IKCB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1C 3283153 DJWLZSVCENFNHE-UHFFFAOYSA-N 427.447 5.352 10 40 IKCB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1cccc(C(F)(F)F)c1 8723759 LORFUDBLNHNHFT-UHFFFAOYSA-N 434.487 5.323 10 40 IKCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 8821412 UOQKIMZCLURQLW-ZXMBATIKSA-N 435.954 5.301 10 40 IKCB COc1ccc(Oc2coc3c(CN(CC(C)C)CC(C)C)c(O)ccc3c2=O)cc1 19789741 VNUFJZWURVBMAU-UHFFFAOYSA-N 425.525 5.414 10 40 IKCB biogenic Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 35261848 YOUWPDFFIYNOHQ-UYSIFFEZSA-N 449.142 5.767 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)N=C2S1 41082810 XIOFGPVQNSZINT-GJXXPDGXSA-N 425.945 5.248 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc2[C@H](C)CC1(C)C 208309874 GVISHEKGRIFZJE-PJMHOZITSA-N 440.012 6.535 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21 208441302 OJRXTMCVTKCKKW-MTJSOVHGSA-N 438.980 6.208 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 223095158 CAUREACGIPCJMG-IZZNHLLZSA-N 444.648 6.103 10 40 IKCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O 223487811 XICKPXMNEXOMAJ-DDLUMYACSA-N 442.581 5.085 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223614247 HKJZHWXWEIXSJG-QCYAWUEASA-N 448.632 6.732 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1C 225665289 QEYVFHKNVDAKPJ-SFHVURJKSA-N 425.598 5.210 10 40 IKCB Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Br 225668921 BOKWGPPQOUOEHD-WBVHZDCISA-N 446.458 6.041 10 40 IKCB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)O)o1 408632188 OOYLIEUSCFHVRP-JCMHNJIXSA-N 445.544 5.924 10 40 IKCB CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 409203931 ZFCCTYKPZGOAOE-LPYMAVHISA-N 436.964 6.551 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 3769435 VYVKFLLYMHIFGA-PXLXIMEGSA-N 434.586 5.710 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3CC[C@H]2c1ccccc1 9761230 VXYAZKHVXNXSCN-LNEBKTTKSA-N 441.958 6.795 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 13403670 ORHDKMRVYYTPMO-MFYXSQMNSA-N 446.510 5.299 10 40 IKCB COC(=O)/C=C(/C(=O)OC)N(Nc1ccccc1/N=N/c1ccccc1)c1ccccc1 33368202 DDMKMQBGQLHBRH-PWQIAPGQSA-N 430.464 5.165 10 40 IKCB CCN1C(=O)/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)SC1=S 33742015 SJRBTYHCHVWXQO-XKZIYDEJSA-N 430.554 5.512 10 40 IKCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)ccc12 79188400 HEEJZIZZTPCGPK-MMTVBGGISA-N 431.576 5.798 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222874320 KMEGLCMXMUVWBD-VXKWHMMOSA-N 425.001 5.525 10 40 IKCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225020813 HACFNBAKMAHAKG-RPWUZVMVSA-N 431.609 5.108 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408895691 VNWUBJQZGQDRJT-AQTBWJFISA-N 446.330 5.659 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cc(C(=O)O)ccc2Cl)c1C 408901378 DTSOGYVVOBXCHU-UDWIEESQSA-N 433.895 5.252 10 40 IKCB CCN1C(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S 409203142 WILSRZPXLONLEN-OEAKJJBVSA-N 428.582 6.064 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)SC2=S)cc1 409342211 ARQPQKYVABJMCB-BOPFTXTBSA-N 435.954 5.162 10 40 IKCB Cc1cc(C(=O)COC(=O)c2ccccc2Cl)c(C)n1-c1ccc(OC(F)F)cc1 3292150 SUMGIICCGVPBOQ-UHFFFAOYSA-N 433.838 5.389 10 40 IKCB CN(C)c1ccc([C@H](N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1 4187819 WSXIGQHISJGPMG-XMMPIXPASA-N 432.593 5.402 10 40 IKCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1 9190111 AHXPWNYGIITHQY-MOHJPFBDSA-N 443.547 5.285 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1 9307625 DSTOYSAECKEIQN-RIHJCCTQSA-N 449.580 5.221 10 40 IKCB O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 19927899 IPWGLLWKVWCEIU-QNGOZBTKSA-N 432.524 5.135 10 40 IKCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 40006124 ZTXXDORGIMAWNC-JAIQZWGSSA-N 448.009 5.785 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222924961 ZSZJRTLNRFRRNO-RPBOFIJWSA-N 432.637 5.734 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc21 223509668 XXXKWXGGROQKKI-HYARGMPZSA-N 443.547 5.072 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)nc1 225021187 LPKZYNGEFPSGPW-BJKOFHAPSA-N 431.609 5.108 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccc(F)cc1 408742861 QFESLMHWDMNDMO-KGENOOAVSA-N 446.474 5.793 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(F)cc2)c1 408761709 GXHVEYUJFHEGTD-CIAFOILYSA-N 425.290 6.275 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1C 408934569 LXFITGLRFLGFPF-QRVIBDJDSA-N 433.939 5.457 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409169326 XMKSAUVTVRHQEJ-KEBDBYFISA-N 444.293 5.637 10 40 IKCB O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 409338895 QJHSDNWJZZQXMZ-SFQUDFHCSA-N 440.527 5.745 10 40 IKCB CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)SC1=S 2678435 DCIAZBCCNIWFEM-PGMHBOJBSA-N 439.602 5.996 10 40 IKCB COc1cc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)ccc1OCc1ccc(C)cc1 9187888 ZOHYXOXETOVUOE-HAHDFKILSA-N 436.577 5.285 10 40 IKCB C/C(Nc1cccc(Cl)c1C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 19645381 QNJWVKIZDKZJDF-JWGURIENSA-N 446.894 5.694 10 40 IKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 32189204 UJBODOYKWBPKKC-SKPFHBQLSA-N 431.919 6.444 10 40 IKCB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(N(C)C)cc1 103523532 CBEXRVVQTDVZCO-VWLOTQADSA-N 431.580 6.201 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC 103919335 IRSLRDUHQRJYQC-ZHZULCJRSA-N 436.537 5.202 10 40 IKCB CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 112289921 LKYAKLQLKPADRW-MOHJPFBDSA-N 427.504 5.231 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 260762794 HKTCNSPIYPBMAI-YNJKOYDBSA-N 430.621 6.085 10 40 IKCB O=C(O)/C(=C\c1ccc(N2CCCCC2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408632056 CZJFYUOSBCGZFB-XMHGGMMESA-N 441.940 5.598 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 408777851 KGRXGWHCUUKOTH-IBYCJETLSA-N 431.605 5.873 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409059487 ROYJDDLTDCHCEG-IWIPYMOSSA-N 444.506 5.419 10 40 IKCB Cc1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)c(Br)c1 8842970 YJMBBXZPIRVALY-UHFFFAOYSA-N 431.282 5.161 10 40 IKCB COc1cc(/N=N/c2c[nH]c3ccccc23)c(OC)cc1/N=N\c1ccc([N+](=O)[O-])cc1 104219949 QBIHSRMOMHUBMR-RNDSACKQSA-N 430.424 6.924 10 40 IKCB Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 208681219 KUOQDRRVKPSHKK-MOSHPQCFSA-N 435.530 5.408 10 40 IKCB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260740090 SJOAJADKYSFKBL-HOTGVXAUSA-N 446.016 5.411 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 408759405 DLMOQVOCFMZHMS-RGVLZGJSSA-N 445.708 6.620 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 408799502 ZIYDQZJGCCNADP-JWGURIENSA-N 443.474 5.282 10 40 IKCB CCn1c(C)c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 409034483 HGGKWUPXZHVWBY-LCYFTJDESA-N 433.380 5.471 10 40 IKCB 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IKCB CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 17096491 OOMVJAMGIJZDDR-ULJHMMPZSA-N 429.495 5.534 10 40 IKCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccccc2)cc1 19631912 HGVFJWIKVZJNOI-JWGURIENSA-N 440.528 5.442 10 40 IKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 40005925 XAOBXLLCPVNNPE-UNOMPAQXSA-N 433.982 5.539 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OC(C)C 96193386 ZDFBIRMIZXZBOI-YVLHZVERSA-N 429.314 5.051 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 222791786 XDCSIVILOGXIOD-FGZHOGPDSA-N 425.001 5.443 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1 223617543 QCPIVUZXFBHZHP-CFKHXJFWSA-N 445.607 5.897 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1O 225016555 VIDHFZHLDJDYNA-RPWUZVMVSA-N 432.593 5.110 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 408901445 FFIDZMDHDHNHTG-SFQUDFHCSA-N 441.712 6.169 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)SC1=S 409381458 HAYNMCWWOBMTKH-WQRHYEAKSA-N 433.982 5.457 10 40 IKCB COc1ccc(-c2cc(C(C)(C)C)nc3sc(C(=O)Oc4ccccc4)c(N)c23)cc1 2087536 OHWLUCIODQQVSW-UHFFFAOYSA-N 432.545 6.071 10 40 IKCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C2=O)cc1 13688678 DEGLKARPKGWVOF-JLPGSUDCSA-N 441.531 5.726 10 40 IKCB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)CC2)cc1 44854945 LUXDYRFUQGLUPX-XZOQPEGZSA-N 433.640 5.321 10 40 IKCB CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 96190096 AZWJCEAEFCQSOT-ODLFYWEKSA-N 432.863 5.385 10 40 IKCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCc1ccc(Cl)cc1 100320563 XFPJFXAOPLEEBA-PXLXIMEGSA-N 432.907 5.734 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1Cl 113834442 SLMDHZAQXROXSY-YBFXNURJSA-N 446.380 6.968 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc21 208441945 WWTZJPQDNHSIGW-MTJSOVHGSA-N 449.532 5.463 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)CC1 219688185 KVDQUWPIFUEWLM-MSOLQXFVSA-N 445.401 5.330 10 40 IKCB Cc1ccccc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 2305475 PSJMSPLPTSMBCQ-IRXDYDNUSA-N 439.515 5.705 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 6645266 JOQOMEBVDOAGQB-XDHOZWIPSA-N 438.486 5.269 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2O)c(C)c1 8834458 XWYYULGPMNYVKI-HZHRSRAPSA-N 449.510 5.177 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OC(C)C 96193319 MTEDULDXZFAOPN-YVLHZVERSA-N 442.899 5.030 10 40 IKCB CC(C)(C)c1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O 96505501 WZFVPEUJSOMFKR-XMHGGMMESA-N 431.667 6.521 10 40 IKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N3C[C@@H]1CC=C[C@H]21 102715540 LTANIYNVENJTCN-YDNONBLVSA-N 446.388 6.546 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1 223493877 NHBSSFBVHUHYPA-RPBOFIJWSA-N 439.588 5.057 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)c(OC)c1 408751582 ABBQCMSXURVIJU-FYJGNVAPSA-N 436.870 5.331 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 409228704 CTOBAACTYKCVAY-BUVRLJJBSA-N 441.918 5.998 10 40 IKCB O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1C1CCCCC1 409340102 QLIBMGXCMBOKEB-XLNRJJMWSA-N 439.602 5.678 10 40 IKCB CCN(CC)c1cc(Nc2c3ccc(Cl)cc3nc3cc(Cl)ccc23)ccc1O 5103505 XVNMPCBELMXEEC-UHFFFAOYSA-N 426.347 6.990 10 40 IKCB CCCc1cc(=O)oc2c(C)c(O)c(CNc3ccc(OCc4ccccc4)cc3)cc12 9410741 TVGCATFPXLVMJA-UHFFFAOYSA-N 429.516 5.951 10 40 IKCB Cc1ccc(-c2nc(/C=C3/SC(=S)N(CC(C)C)C3=O)n(-c3ccccc3)n2)cc1 27562415 GUMWBDIBCCTCLU-CPNJWEJPSA-N 434.590 5.100 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c(C)c1 59459827 PAXWWFNQDYZWII-NDENLUEZSA-N 436.514 5.877 10 40 IKCB C/C(Nc1cc(Cl)ccc1Cl)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 103920936 SFWTYCSQLRPZEV-STZFKDTASA-N 440.305 6.270 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 222792326 SYGLZJGBMQNHRR-FGZHOGPDSA-N 441.000 5.144 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 408902280 MSMOTOCGUAJVHT-LDADJPATSA-N 433.982 5.932 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c1 409214136 WOBKDTLNQIQCQK-NDENLUEZSA-N 436.514 5.877 10 40 IKCB CC(=O)N1CCCCCCCN(Cc2cccc(C)c2)Cc2cc(N3CCOCC3)ccc21 643563320 PELWKLVJBRXXTE-UHFFFAOYSA-N 449.639 5.151 10 40 IKCB CCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1OCC 2258542 JUZXLVSWFMKAKY-QJOMJCCJSA-N 426.516 5.627 10 40 IKCB O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccccc2N1c1ccccc1 20059412 SPSDFQJEYLRXFN-OVVQPSECSA-N 444.509 7.048 10 40 IKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCc3ccccc32)cc1 20491205 RYCBJMGEYBRZRH-UHFFFAOYSA-N 425.576 5.170 10 40 IKCB CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 33656038 KTOXWMUPMZQOEM-OOWUWCJESA-N 444.578 6.272 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222835479 GMRQUPKNLQDCHM-XZOQPEGZSA-N 439.028 5.832 10 40 IKCB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 226782334 ALUHAIVAFPIWOB-WOIUINJBSA-N 425.370 5.758 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cn1 408762754 LCSPMBMOIINPLS-LDADJPATSA-N 448.906 5.232 10 40 IKCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)c1 408766803 RZILLGQFMVXPKM-HKWRFOASSA-N 431.919 6.219 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409071396 RCDIUNMZAYIMFQ-RGVLZGJSSA-N 440.330 5.807 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)cc2C)C1=O 409350676 YSIATWDIEZQVNW-HZHRSRAPSA-N 433.598 6.651 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 8765552 BFLBQHIXZZLMBA-MNDPQUGUSA-N 435.611 5.492 10 40 IKCB Cc1cc(=O)oc2c1ccc1c(O)c([C@H](c3ccc4c(c3)OCO4)N3CCCCC3)ccc12 12444973 YZBVOKVEKLNDKS-VWLOTQADSA-N 443.499 5.264 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1nc2ccc(C)cc2s1 103646677 RVZQWKOYOMOKKZ-GDNBJRDFSA-N 427.327 5.086 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSCc3ccc(Cl)cc3F)cc2)C1 260740889 AIMDWSKCMZQSQB-IRXDYDNUSA-N 435.008 5.826 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c(C)c1 107956279 HDNVLBNQEXJNAK-YBFXNURJSA-N 443.355 6.953 10 40 IKCB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260733011 DPELDEDPWLFOQJ-HKUYNNGSSA-N 439.625 5.456 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2sc3ccccc3c2Cl)c1 408753813 OCYVLMJVXVDGPL-XSFVSMFZSA-N 446.934 6.837 10 40 IKCB CC(C)Oc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 408876786 QWAYZFLIWAIVMG-UHFFFAOYSA-N 442.540 5.222 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 408984693 JFBZKIGAUSDZHS-XQNSMLJCSA-N 425.484 5.250 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)SC2=S)cc1 409341874 CEOZHSMOPNAJAZ-WOJGMQOQSA-N 448.407 5.951 10 40 IKCB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)c2ccccc21 20059383 ZFOKUUXULWUQKL-JJIBRWJFSA-N 447.538 5.138 10 40 IKCB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(C)cc3)N2[C@@H]1c1ccc(N(C)C)cc1 35177954 DYBJVFKUUIQUDM-HSZRJFAPSA-N 433.577 5.356 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(Nc3ccc(Cl)cc3)=NC1=O)[C@H](C)CC(C)(C)N2C 208232422 WWPCLVBPYTXSET-OFNOZLENSA-N 440.012 6.453 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2sc3ccccc3c2Cl)c1 408757950 DYTRNBGLSAMNFO-HMMYKYKNSA-N 428.944 6.698 10 40 IKCB CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 409181156 XYOYFEHBKSQLBV-LZYBPNLTSA-N 428.337 5.937 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(F)c1 2700563 PASKDXDOSGFEEU-LGMDPLHJSA-N 434.583 5.288 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 9274101 RMDHLJWOYVQVBS-KKVJOTPGSA-N 439.972 5.413 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C[C@@H]1CCCO1 26967822 QNAPXNYKNJLCJG-OLWAXZHHSA-N 440.373 5.634 10 40 IKCB CN(C)c1ccc(/C=C/c2c3[s+]c(-c4ccccc4)c(=O)n-3c3ccccc3n2C)cc1 38204739 DETOPIKRAKFREX-OBGWFSINSA-N 438.576 6.013 10 40 IKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1cc(Cl)ccc1Cl 100524943 DPVZOEULWYGDQL-GSWFEHRJSA-N 430.320 5.992 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225014661 CTKIPRASXOHFPI-IZZNHLLZSA-N 444.648 5.967 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)c1C 260766150 JDQONKJAVOYORL-BBVWWWHTSA-N 444.648 6.339 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3OCC)C2=O)cc1 408983466 BYAVMMBRFCWVLM-HEHNFIMWSA-N 445.946 6.609 10 40 IKCB CCOc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc4c(c3)OCO4)C2=O)cc1 9323966 ZKNYYOPCEOFAKC-UYRXBGFRSA-N 445.902 5.939 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1F 223344797 IXOZCEQGNHPEOB-ZEQRLZLVSA-N 446.551 5.394 10 40 IKCB CCCCOC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1 408537231 ZOAPTNVSPLXWRP-ZHZULCJRSA-N 425.916 5.324 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 408987815 YRWIJSRWOHNFRT-OQKWZONESA-N 425.484 5.343 10 40 IKCB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409210008 IYVUHBHKBYDETK-XDHOZWIPSA-N 446.956 5.127 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 1101174 RIUPMPJXGZZCCT-WQRHYEAKSA-N 448.491 5.921 10 40 IKCB CCOc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 2123077 WQHZHQFXGUBZBG-UHFFFAOYSA-N 427.500 5.447 10 40 IKCB biogenic Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1-c1ccc(OC(F)F)cc1 2661923 WTCISMDZGKWNTJ-UHFFFAOYSA-N 428.460 5.812 10 40 IKCB CCOc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)C(C)=C2C(=O)OC)cc1OC 33674388 FYIGXFUVDZAYSS-QNGOZBTKSA-N 443.499 5.124 10 40 IKCB COc1cc([C@@H]2Nc3c(ccc4ccccc34)[C@H]3C=CC[C@@H]32)cc(Br)c1OC 33785780 RNDUVUOEOQNPKG-SPEDKVCISA-N 436.349 6.446 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3c4ccccc4cc4ccccc34)C(=O)N=C2S1 41083127 DKZHREVAZOAMGZ-VHDUERLVSA-N 426.545 6.192 10 40 IKCB CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1ccc(C(=O)OC)o1 70453901 FTAXGPLNJKXNQY-UHFFFAOYSA-N 444.487 5.733 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C 222695815 LVNZTOWCSSOPBQ-NIJXNBFTSA-N 430.621 6.031 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223121193 QTTFCDPUDXDGOA-DQEYMECFSA-N 446.620 5.495 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)cc2)cc1 408526342 AWXFJFRVODHBJK-STZFKDTASA-N 436.627 6.102 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1C 408852584 UOQRKKVALWDGMQ-OYKKKHCWSA-N 441.600 5.352 10 40 IKCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 409342289 BFKUTUFDASTYPV-MOSHPQCFSA-N 425.962 6.298 10 40 IKCB CCc1c(C(=O)O)n(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc([N+](=O)[O-])cc12 2037873365 DOFALLDICVEQJK-UHFFFAOYSA-N 430.888 5.549 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c2)cc1 9188705 MBPACUYLEBHRNQ-VKINRBECSA-N 445.609 6.536 10 40 IKCB CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)C2CC2)[C@@H]3c2ccc(N(C)C)cc2)cc1 34903627 SNHJMGYXUINGNB-BIPOYDDWSA-N 442.607 5.352 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1 106696088 PCNOLRBUYXHELT-XKZIYDEJSA-N 436.508 5.478 10 40 IKCB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225656288 NDGOYAVZSRZWIQ-LJQANCHMSA-N 439.625 5.456 10 40 IKCB CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)ccc1Cl 225696168 POPROWKTNYZYJO-HNNXBMFYSA-N 431.989 5.165 10 40 IKCB COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4)C3=O)o2)cc1 408987277 VTLWGBAMABMYCW-PTGBLXJZSA-N 447.490 6.205 10 40 IKCB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 933453 OXTXDSFBSXULPJ-UHFFFAOYSA-N 434.521 5.247 10 40 IKCB O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccccc1 19831066 HPJLJMXSZHLXQQ-GFMRDNFCSA-N 439.584 5.064 10 40 IKCB CC1CCN(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)cc2)CC1 44854082 HGXJKLWLECKGLW-QHCPKHFHSA-N 433.640 5.646 10 40 IKCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1 223052416 LCKDNCRRLTUFOL-DQEYMECFSA-N 448.636 5.061 10 40 IKCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2[C@@H](C)CC1(C)C 223582287 SOQRKGVHHITIBZ-SXZORUHJSA-N 445.563 5.082 10 40 IKCB Cc1cc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1Br 260737413 JTHYAVSBKCAWEL-HNNXBMFYSA-N 432.431 5.480 10 40 IKCB Cc1ccc(NC(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 408734645 BETISXPZFLYGMC-UHFFFAOYSA-N 428.495 7.042 10 40 IKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccccc1Br 408987450 XUJUTBXHTAVFPD-NBVRZTHBSA-N 436.736 6.574 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cn(C(C)C)c4ccccc34)SC2=S)cc1Cl 409338417 JNKJQWLHHHWBKW-KEBDBYFISA-N 442.993 6.290 10 40 IKCB COc1ccc(/C=C2/SC(=S)NC2=O)cc1OCc1ccc(Cl)cc1Cl 1001107 ZIBHOTSXINAVRX-FRKPEAEDSA-N 426.346 5.070 10 40 IKCB Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 17300226 UVLPIULWZIAFJH-NNVROAHOSA-N 449.984 6.745 10 40 IKCB CC[C@H](C)c1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 33391789 FUORUULZHCKFKL-DBZAVIBRSA-N 441.618 5.879 10 40 IKCB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 58846064 FFAATWJFKVJXKQ-UNVFRBQDSA-N 448.563 6.015 10 40 IKCB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 224352806 VOWYOMNCXVSCQA-UIOOFZCWSA-N 438.600 5.920 10 40 IKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 408743771 VDEFXHSKCUQXMX-SDNWHVSQSA-N 437.245 5.389 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 408761005 BUPVTMFSMKMDHZ-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 408761956 IGHKFMYJFUISQR-DEDYPNTBSA-N 438.270 5.736 10 40 IKCB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409143914 NJIIRMZZNYEGOG-HAVVHWLPSA-N 436.577 5.355 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)o2)cc1 409228558 BNWNVTKNOQAQRO-CPNJWEJPSA-N 448.569 5.187 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2F)C1=O 409332902 SETQQBVFLLJAIH-PXLXIMEGSA-N 437.561 6.564 10 40 IKCB O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 9232309 ZOAJBKVQRRSYEB-MKMNVTDBSA-N 446.725 5.787 10 40 IKCB COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(F)cc4)n3)c2C)cc1 13117241 AFLWZOXJGFOGFP-UHFFFAOYSA-N 449.507 5.396 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 13940245 PBOUOLJOVTZSNU-HAHDFKILSA-N 431.582 5.975 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC 35039103 DNFRWJZIICVTIS-RCCKNPSSSA-N 427.591 5.842 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(F)c1 225015098 VVTYFBBXHOEWSI-DNQXCXABSA-N 434.584 5.543 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl 225665726 XPKUQFFSYOFVSJ-INIZCTEOSA-N 446.016 5.555 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 408755998 XCIQUQZLSYINAR-UDWIEESQSA-N 439.259 5.562 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 409210722 GMKDGHPUPXMKFQ-HYARGMPZSA-N 434.948 6.334 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)cc2)C1=O 409339561 WEZYTGRGIQOVAR-XQNSMLJCSA-N 433.598 6.733 10 40 IKCB COc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CCC5)c2C)cc1 950092 VTNZFSIZTVXJQP-UHFFFAOYSA-N 449.601 5.571 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 8821495 LLDPSDMLHKNHAK-DEDYPNTBSA-N 436.514 5.823 10 40 IKCB COc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 9280122 ZJOPLHJGIIYTCY-HAHDFKILSA-N 447.581 5.676 10 40 IKCB O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 9761327 NUXIULFPJVAFPI-RFZJPIJTSA-N 447.376 5.854 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 17086113 AZDNPYINCXWKTF-LPYMAVHISA-N 437.326 6.379 10 40 IKCB O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 18154816 NUXIULFPJVAFPI-NBJYBMASSA-N 447.376 5.854 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc21 208454999 UPXFUNWASONROD-NHDPSOOVSA-N 437.996 6.363 10 40 IKCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223058438 VTLGRSSVIXCKKW-UKILVPOCSA-N 448.636 5.115 10 40 IKCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 226093398 WKJMWMVOJFMQPW-VGOFMYFVSA-N 426.744 5.214 10 40 IKCB COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 408736449 TXZJYCMRNNXUPM-TYILLQQXSA-N 448.260 5.035 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408800907 RWVBHSOXOZEUJZ-XSFVSMFZSA-N 448.906 5.257 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1 409352067 WAXLDYNDKHVBQB-SRZZPIQSSA-N 434.542 5.229 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(S)N(CCC4=CCCCC4)C3=O)c2C)cc1 1276418 AVIBXWZPBFDVDN-KQWNVCNZSA-N 447.604 5.331 10 40 IKCB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1781778 BABCAXGVIZZQHY-UHFFFAOYSA-N 430.460 5.267 10 40 IKCB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(C)c1 2268522 JNWQBMKIMRUQJS-PDGQHHTCSA-N 430.982 5.187 10 40 IKCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12 2382913 YJNDZGRDWIQINH-ZHZULCJRSA-N 441.874 5.155 10 40 IKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2cccc3ccccc23)C1=O)=C\c1ccccc1 11612238 QQBGLXGBZGPDFK-ZXPGUXPCSA-N 444.581 5.626 10 40 IKCB O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Br)cc1 33921423 WOISAZQREBJUQZ-RIYZIHGNSA-N 445.190 6.162 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc2ccccc2c1 100510985 MIHJSQVERHGULI-PLFNIDSXSA-N 425.517 6.147 10 40 IKCB Cc1cc2c(cc1C)N[C@H](c1cc(Br)ccc1O)C1=C(O)CC(C)(C)CC1=N2 101060430 FUPPOJVVPYHIHF-JOCHJYFZSA-N 441.369 6.643 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 408774525 MCKCMXMZSJQLTA-MHIQDMOBSA-N 438.527 6.888 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1 409096981 MVLQLYLYNJJSFF-PCLIKHOPSA-N 445.538 5.669 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 409205731 SRZOWXYUMYVYFV-NHDPSOOVSA-N 440.330 5.494 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 409228894 GSUBBMXYYFICJW-YZSQISJMSA-N 441.575 5.838 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC1=S 409329645 HAZRWRJTLWHHDM-BOPFTXTBSA-N 434.380 5.249 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409347397 PWJARTDEMAWJPU-VBEHJTROSA-N 437.508 6.289 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N([C@H](C)CC)C2=O)ccc1OCc1ccc(C)cc1 1795096 DKVOODANIVTKOC-VVRYKASASA-N 441.618 5.972 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccccc1 9296546 UEQGDRDPLSEERV-KGENOOAVSA-N 437.973 6.325 10 40 IKCB Cc1ccc(C2=NN(C(=S)NCc3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 9310216 HQSKSVJGEHEICZ-VWLOTQADSA-N 428.605 5.287 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 9845997 SFLYBSMBCPAFPH-JWGURIENSA-N 443.474 5.282 10 40 IKCB Clc1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@H]32)c(Cl)c1 13370285 DACBWLIZQKHTQJ-PSTGCABASA-N 442.127 6.425 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 33153888 KIEFYDMMMNPBHL-XWEQHKKKSA-N 449.894 6.043 10 40 IKCB COc1ccc(/C=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)c2ccc(C)cc2)cc1OC 36612716 GTLWMTOPFAVTOX-PYEZLECFSA-N 438.527 5.902 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222880342 KSYBSAWPDKKONL-ZCYQVOJMSA-N 432.637 5.797 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 408841815 LTFYEYZKLZBNJB-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)SC1=S 409005543 FRCLJYFKTMBGNA-WQRHYEAKSA-N 448.407 5.558 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)c(C)c1 409128334 ICSKNUNRQLPUIY-HKWRFOASSA-N 444.581 5.286 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC 409328920 AKGWLUQHXVFPOF-DEDYPNTBSA-N 431.554 5.809 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c(C)c1 8454105 GXQQCRJNMBUKQF-UNVFRBQDSA-N 448.563 6.070 10 40 IKCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 9061210 DXXDKINUCLPCQT-UHFFFAOYSA-N 447.318 5.351 10 40 IKCB Cc1oc2c(CN3CCCC[C@H]3C)c(O)ccc2c(=O)c1-c1ccc(Br)cc1 9075556 UTZOOJMZMLLULY-CQSZACIVSA-N 442.353 5.611 10 40 IKCB biogenic Nc1cc(N)c(/N=N/c2ccc(Cl)c(/N=N/c3cc(Cl)c(N)cc3N)c2)cc1Cl 18182881 UDHQBTHXNKZWJS-TUUFZWAFSA-N 449.733 6.806 10 40 IKCB COc1ccc(-c2coc3c(CN4C[C@]5(C)C[C@H]4CC(C)(C)C5)c(O)ccc3c2=O)cc1 85880086 MYEUUXSFZCEDQF-DNOBIOAJSA-N 433.548 5.575 10 40 IKCB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(/N=N\c2ccccc2)cc1 104156080 DGWQNQHXRTXRES-QPLCGJKRSA-N 434.710 7.080 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cccc(OCc2cccc3ccccc23)c1 208688837 NRKWYCSDBVIIDR-UQQQWYQISA-N 436.536 6.501 10 40 IKCB CCN(CC)c1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 225808167 ICGYSBJXGKEYDR-UHFFFAOYSA-N 439.024 6.409 10 40 IKCB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)NCCc1ccc(O)c(O)c1 256765642 MVVPIAAVGAWJNQ-BHVWNTRMSA-N 439.640 6.902 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(C)cc2)cc1 408767338 ZGQDKKXBNRPXQR-LFVJCYFKSA-N 442.515 5.245 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(C)c(Br)c1 409036234 BAKVGSPCYOSFHP-YHYXMXQVSA-N 445.185 5.259 10 40 IKCB Brc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@@H]21 409156408 NQISHTXTDGPYNQ-ZYLNGJIFSA-N 448.429 7.568 10 40 IKCB Cc1cc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)ccc1Br 409162147 RXHUYZZSKYRHIJ-OAQYLSRUSA-N 426.383 5.862 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 409330649 LJBFOZIOXAQWEA-OVCLIPMQSA-N 440.771 5.517 10 40 IKCB CSc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)SC2=S)c1 409345212 KQKIXYHMCOVOFC-AQTBWJFISA-N 441.624 6.559 10 40 IKCB COc1ccccc1Nc1nc(-c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cs1 2646518 RWPXFVKBDGKCJR-UHFFFAOYSA-N 441.503 6.571 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccccc1 3036013 LHSMSSSJYMTSOU-BOPFTXTBSA-N 432.353 6.659 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1 8819676 DTNXSMLCRAPCRX-CYVLTUHYSA-N 445.009 5.740 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 9293553 LATUYMOLRCMKRU-IXLJKPNMSA-N 437.544 5.433 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccccc1 27519517 IHQYMIANBUEGQN-STZFKDTASA-N 437.973 6.325 10 40 IKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 36081881 ICJGKQBZZMFOHU-HKZYLEAXSA-N 442.309 5.181 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(F)cc1 224165571 PUOFMNFAXHAGBZ-DQEYMECFSA-N 442.563 5.805 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408891723 CCQPRVMSQDQUJQ-KQWNVCNZSA-N 443.499 5.211 10 40 IKCB CCOc1c(Cl)cc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Cl 409162186 SRHNKQAEFPSRFU-KRWDZBQOSA-N 440.417 5.406 10 40 IKCB CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O 409328154 PLRREORBEOFOTN-LDADJPATSA-N 448.407 5.952 10 40 IKCB Cc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409335952 ZYFAMMGSGZZMOO-MOSHPQCFSA-N 440.590 5.326 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1C1CCCCC1 2119421 KSYHMYFRLRRWLY-KGENOOAVSA-N 444.021 6.453 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccs5)SC4=NC3=O)c2C)cc1 9232938 PGMMIFVBHXYBIC-ODJOWLHGSA-N 445.573 5.132 10 40 IKCB COc1ccccc1[C@H](c1ccc2c(ccc3c(C)cc(=O)oc32)c1O)N1CCCCC1 13570838 CVHNTMFQJPDTQC-RUZDIDTESA-N 429.516 5.544 10 40 IKCB CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 27018166 HZTZPVBNXGGBNU-RGEXLXHISA-N 439.631 5.992 10 40 IKCB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 35646630 DBIMTMJTKYPDKC-HMAPJEAMSA-N 441.468 6.090 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)CC1 219688258 KVDQUWPIFUEWLM-ROUUACIJSA-N 445.401 5.330 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(F)c1 224165224 WADNPAUUJKIUKX-RPBOFIJWSA-N 442.563 5.805 10 40 IKCB Cc1cc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)ccc1F 408738604 MIRISNJHEKFSKH-XMHGGMMESA-N 434.308 6.368 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3SC)C2=O)cc1 408762730 QLKRNXZRYXWFBO-CYVLTUHYSA-N 433.960 6.542 10 40 IKCB Cc1ccc(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c(C)c1 408822059 DGNRTRZIHWFBQX-LICLKQGHSA-N 433.396 5.337 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 408847117 ZPTMEVBKTOGWQC-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc(Cl)c1 408984690 JESGYPRBYWAKPK-GZTJUZNOSA-N 426.730 7.118 10 40 IKCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O 409242447 VAZFZIUBMRNXGK-BUVRLJJBSA-N 447.510 5.115 10 40 IKCB Cc1cc(C)c(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)c(C)c1 409392658 NDNPGEAAEVTEMV-CFRMEGHHSA-N 441.600 5.407 10 40 IKCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cc(Cl)cc(Cl)c1 1263881 KEYXZSPWIRUVKA-GDNBJRDFSA-N 441.361 5.207 10 40 IKCB Cc1nc2c(c(-c3ccc(Cl)cc3)c1S(=O)(=O)c1ccccc1)C(=O)c1ccccc1-2 2051181 DDACHFQBQJEAGY-UHFFFAOYSA-N 445.927 5.755 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 9296593 ZDYUKGBNCCWNRL-RIYZIHGNSA-N 444.297 5.874 10 40 IKCB O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1ccccc1 9762848 DPEBMWWORYEMNL-XLNRJJMWSA-N 433.554 5.550 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@@H]21 58929533 ZBLWEULDMALEBJ-OHUGHZGNSA-N 432.361 6.951 10 40 IKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1 103917315 VCXKAYIAGWJEBG-KQWNVCNZSA-N 440.528 6.197 10 40 IKCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C1=O 260565364 IECDAROZXRSRDU-VTLGGBRFSA-N 444.597 5.095 10 40 IKCB Cc1ccc2cc(C3=C/C(=C/c4ccc(I)o4)C(=O)O3)ccc2c1 408757213 WDHCSAAXFZNLEB-YBEGLDIGSA-N 428.225 5.327 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 409229577 RJVZCFGWPDMTLB-HZHRSRAPSA-N 442.540 5.429 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)SC2=S)cc1 409345440 IKLTUKDSKZNVKI-MOSHPQCFSA-N 429.563 5.287 10 40 IKCB COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1F 2193052 MKGLYHUMLCSRML-XDHOZWIPSA-N 436.866 6.048 10 40 IKCB CCc1ccc(/C=C2\SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 2446728 BGHOVKQQUAQDAF-ZHZULCJRSA-N 445.510 5.060 10 40 IKCB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)CC)C2 8454295 CHMCAONONXEMOV-PMPSAXMXSA-N 449.613 5.295 10 40 IKCB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 8814319 GACKBCGBQGSCSV-AZGAKELHSA-N 447.966 6.047 10 40 IKCB Cc1ccc(COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2Br)cc1 9236626 ICWMCWFWXLPPRG-LICLKQGHSA-N 434.380 5.168 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1 9291123 LVGPKFDPCNFIQB-GNMKNICSSA-N 433.581 5.520 10 40 IKCB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2 58848889 UPTNECACPYUIRH-LZCXECNNSA-N 446.572 5.631 10 40 IKCB CCOc1ccc(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 100246743 SPWWBDJUBZERQB-SFQUDFHCSA-N 446.454 5.346 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C=C(c4ccc5cc(C)ccc5c4)OC3=O)c2C)c1 408755922 NVCXSWOAAPZOIC-YUMHPJSZSA-N 433.551 7.154 10 40 IKCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(C)c3)C2=O)cc1 408764825 VRJSALAATFVZFB-PXLXIMEGSA-N 430.891 5.270 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 408901570 GNAWYVMXWONHAH-DEDYPNTBSA-N 434.542 5.198 10 40 IKCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 8884272 ZSGGPGRCHAGXGR-TVNWYLLRSA-N 439.489 5.113 10 40 IKCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 12579799 WREXTZKTHKPVMN-ATVHPVEESA-N 425.604 5.822 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)N(Cc4ccccn4)C(=O)c4ccccc43)c2C)c1 13039432 GTDWUUAEPPILRX-PKAZHMFMSA-N 447.538 5.521 10 40 IKCB COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 16217168 ODRSFGKEBWMYOS-SGIRGMQISA-N 432.545 5.323 10 40 IKCB Cc1ccc(COc2ccc([C@H]3Nc4c(C)ccc([N+](=O)[O-])c4[C@@H]4C=CC[C@H]34)cc2)cc1 20367357 OHVBKSMMCGXVLP-QSEAXJEQSA-N 426.516 6.617 10 40 IKCB COc1ccc(OC)c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 36080625 FFSLDVNTDDGJER-UFPGJGBJSA-N 447.962 6.763 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 59138800 HXTPSJYKVYYPLF-FYJGNVAPSA-N 447.922 5.065 10 40 IKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=N)N12 103563237 SOZNPWVMIBKSHA-PSVHDLGESA-N 441.354 5.024 10 40 IKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)SC1=S 107908565 RXXHCPLMRFCHNC-PXNMLYILSA-N 439.375 5.217 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)O)c3)C2=O)cc1 408983349 BDKJLAPHOAQJQU-XSFVSMFZSA-N 445.902 5.908 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409054941 OQUYRTBMCZACSK-HAHDFKILSA-N 444.506 5.419 10 40 IKCB COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc(F)cc3)c3ccc(F)c(F)c3)C2)cc1 2037844092 NXHXXXLEQMTRTL-NQHRYMMQSA-N 442.481 5.153 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 1411629 ILKRIUNBHNXCLE-ZDLGFXPLSA-N 449.384 6.209 10 40 IKCB CCCCSc1nnc2c(n1)O[C@H](c1c(O)ccc3ccccc13)Nc1ccccc1-2 8456315 JKIGBLWAOQRVAK-JOCHJYFZSA-N 430.533 5.793 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 9309614 RLZBJRUJXXAGEX-XYSCVJGBSA-N 439.972 5.557 10 40 IKCB C/C(NCCc1c[nH]c2ccc(F)cc12)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17102233 SVQROYJMSGTHDG-BWAHOGKJSA-N 438.506 5.164 10 40 IKCB CN(C)c1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1[N+](=O)[O-] 19329526 MNJHFOUCCMKMKT-UHFFFAOYSA-N 430.552 5.068 10 40 IKCB COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 33771800 PPJAODHIZIXASU-GUOILJMFSA-N 449.580 5.076 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1C1CCCCC1 59418182 QCBJVYOYVKUCAP-KGENOOAVSA-N 427.566 5.939 10 40 IKCB CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCCOc1ccc(F)cc1 70453897 VYZRJUMDQSRNAY-UHFFFAOYSA-N 444.506 6.372 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1Cl 222743874 CQOMGKGCLIZZDN-PMACEKPBSA-N 431.392 5.398 10 40 IKCB CC(C)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 408599827 LTLWJEFORMDVOI-NVMNQCDNSA-N 438.401 6.434 10 40 IKCB O=c1c(-c2cccc(Cl)c2)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12 1747724 OJTHAYMCSWJQPV-UHFFFAOYSA-N 437.845 5.824 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 9762092 NPRIYZUQZZOMRN-YVLHZVERSA-N 437.945 5.288 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c(C)n1C1CCCCC1 13810519 RZDATXKYECMMJE-DEDYPNTBSA-N 441.984 5.935 10 40 IKCB COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21 14545892 FEOYXSAQPCDFRE-DFIYOIEZSA-N 432.545 5.323 10 40 IKCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 17096487 RJZRMCMMBJYHNB-ULJHMMPZSA-N 429.495 5.534 10 40 IKCB O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 84504620 OZQQBWVOVMCQKT-GEBKJHSDSA-N 439.861 5.199 10 40 IKCB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc(C)c1Cl 218713443 OIYLJGYKYMYUBH-UXHICEINSA-N 429.004 5.838 10 40 IKCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222918720 UHAQPZDHJYOUPH-RPBOFIJWSA-N 432.637 5.680 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)c1C 260771862 LVNZTOWCSSOPBQ-KSNOWIBYSA-N 430.621 6.031 10 40 IKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Cl)c(Cl)c1 408987829 YVCCBAZHPXINIM-SFQUDFHCSA-N 426.730 7.118 10 40 IKCB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 409004176 WVKNXSFGSPBFAN-SADOOTFCSA-N 448.526 6.602 10 40 IKCB Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN(C)Cc4ccccc4)c23)c(C)c1 8612190 XFIMPNBQYIHSLM-UHFFFAOYSA-N 428.532 5.948 10 40 IKCB COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1Cl 8952096 NMYQXGXPQPSFCS-OVCLIPMQSA-N 426.346 5.070 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1 9159247 MGIKXNZKWZRGOD-RNJGGXIZSA-N 447.608 6.027 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(C)cc4C)C(=S)N=C3O)o2)cc1 59137963 HFFDKRFWGAEZMF-CPNJWEJPSA-N 448.569 6.028 10 40 IKCB CCOc1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccc(OC)cc4)cs3)N=C2C)cc1 103560229 WZFUEROMQKJSQP-NZXNHFJFSA-N 435.509 5.092 10 40 IKCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223057867 GAUPMXMJDAVCKZ-RPBOFIJWSA-N 448.636 5.115 10 40 IKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1-c1ccccc1 224450054 QWBALFXTCDIIPV-BJKOFHAPSA-N 428.536 5.497 10 40 IKCB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 408814262 OSUWKWXNBXPHDM-UHFFFAOYSA-N 436.532 5.313 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409055300 DSLCIQXHFRKLCL-QNGOZBTKSA-N 430.479 5.110 10 40 IKCB O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)c1 6444712 YBSJBYCBSDKPCS-MSBWEVJISA-N 449.348 6.252 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)c(C)c1 9188604 YKFOLLSWYKLGBV-HAHDFKILSA-N 431.582 6.288 10 40 IKCB CC(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 9188809 KRGRNGWWDZNLTQ-KQWNVCNZSA-N 431.582 7.008 10 40 IKCB C=CNc1cc(Oc2ccc(Br)cc2)c2noc3c2c1C(=O)c1ccccc1-3 12363732 HLBHUOOHAOQSDC-UHFFFAOYSA-N 433.261 6.149 10 40 IKCB COc1ccc2c(c1)Cc1cc(N=[N+]([O-])c3ccc4c(c3)Cc3cc(OC)ccc3-4)ccc1-2 104120735 RRRRLIBKNAGCTJ-UHFFFAOYSA-N 434.495 6.772 10 40 IKCB Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(F)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223617268 GTDCYBMYHICMSH-QRAWFLTRSA-N 449.570 5.728 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC(C)=O 409328590 YCGZNGSTAKWHRD-YBFXNURJSA-N 445.587 5.138 10 40 IKCB CN1C(=O)/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)SC1=S 409329431 FOIPIJKIICQXIC-NVNXTCNLSA-N 431.901 5.046 10 40 IKCB CCn1c(-c2ccc(Br)cc2)cnc1SCc1cc(F)cc2c1OCOC2 12520231 GZVVJHPIJNGBOE-UHFFFAOYSA-N 449.345 5.630 10 40 IKCB Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 20357349 USDLBYONAFLMIO-TVZXLZGTSA-N 446.934 6.962 10 40 IKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1ccccc1 223878725 WJLXYELDRCLEDC-RPWUZVMVSA-N 426.545 5.063 10 40 IKCB O=C1C(=Cc2cccs2)C(=O)N(c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 2532794 KBWGDHWLOBTZPY-UHFFFAOYSA-N 443.311 5.638 10 40 IKCB C[C@H]1CC[C@](C)(COC(=O)c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)C1(C)C 3846127 RXKGVUCNZGYOMG-JAIJFQQLSA-N 430.548 7.580 10 40 IKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2cccc(F)c2)C1=O 8763446 SFIMKRZIBOMPQS-FNBOUAQFSA-N 440.565 5.392 10 40 IKCB CC(/C=C1\SC(=S)N(CCCCCCCCCCC(=O)O)C1=O)=C\c1ccccc1 8765571 ZMSUPRDNYAGNAI-YZUVIAEVSA-N 445.650 6.430 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 9188694 URRDUUMHIZIGPM-UZXDDYOISA-N 445.609 6.536 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1cccc(Cl)c1 9310253 DOSWACVZXQHJTJ-WOJGMQOQSA-N 442.905 5.914 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)SC2=S)cc1 16292354 PWESAKXJHZQKDQ-IWIPYMOSSA-N 445.609 6.284 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)o1 33293935 FOQIRFZXAPGBQP-JAIQZWGSSA-N 437.448 5.329 10 40 IKCB COc1ccc(/N=N\c2c(-c3cccs3)nn(C(=S)SC)c2C(F)(F)F)cc1 104235744 YDAIJSJRCCZXEH-DQRAZIAOSA-N 442.513 6.550 10 40 IKCB COc1cc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226647813 LNOYFIHWDHXFJP-SWYRRKHMSA-N 429.516 6.331 10 40 IKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cc(Cl)cc(Cl)c1Cl 408741550 JLTBIVLIFKAADE-WZUFQYTHSA-N 430.512 6.391 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 408752501 AZPGTUXNSKFUQF-HKWRFOASSA-N 444.918 5.778 10 40 IKCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)cc1 408764240 WMDZOQCDSJNFOC-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 408893246 LKQPHNMZGCMKNN-YBEGLDIGSA-N 436.722 5.914 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1 409129745 UPMOTHHEUSXMJC-ULJHMMPZSA-N 430.573 6.072 10 40 IKCB Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(C)C3=O)c2C)cc(C)c1Br 409132577 JLPWKAUPUYAXPY-SXGWCWSVSA-N 435.412 5.304 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1Cl 409174675 NTEVBSSRYWXJPH-RNHFSVANSA-N 438.423 8.112 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 409343323 GPSUXQWGHAIRRC-OTGIAGGSSA-N 444.534 5.187 10 40 IKCB O=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCCC[C@H]3c3cccnc3)c(O)ccc12 20763359 GGFIGEDMAZGBAL-QHCPKHFHSA-N 446.934 5.941 10 40 IKCB biogenic Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1 33933346 ZNUFTNXUSKXDOA-CPNJWEJPSA-N 433.508 5.213 10 40 IKCB COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1 85875746 HKBMUQFABHUAGB-UHFFFAOYSA-N 445.475 5.216 10 40 IKCB biogenic FC(F)(F)c1cc(NC(=S)NCCCN2CCCc3ccccc32)ccc1Cl 225745682 NXDMVRKYZYTKQL-UHFFFAOYSA-N 427.923 5.488 10 40 IKCB CC(C)N(C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)C(C)C 408734730 CQQHJYOANCWQCT-UHFFFAOYSA-N 439.584 6.872 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 408779773 KFGZPFNARMSCIE-LMSRTUJASA-N 431.605 5.873 10 40 IKCB Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(C)cc2)cc1 408842502 OFIKZNWNKDJRCL-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)S1 409024329 JUKDCMIYVLEYRA-MTJSOVHGSA-N 436.920 5.179 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)o1 409349027 UDMPENBLEBHEDD-NDENLUEZSA-N 435.526 5.667 10 40 IKCB Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc(-c5cccc(Cl)c5)o4)C(=O)N=C3S2)c1 3462978 PLCQCYFCIRTMOK-QDLOHUEYSA-N 446.919 5.576 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc2ccccc12 8861550 QEBKDCZSXXIRCS-ONUIUJJFSA-N 448.522 6.234 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 9428565 OTSGBYTWBOUUEP-XWCAUFEOSA-N 448.906 5.780 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1C 59137396 LUZGGHQUGIFTFM-WSDLNYQXSA-N 431.467 5.357 10 40 IKCB CC(C)n1nc(O)c2c(-c3c(F)cccc3Cl)c3oc4c(O)c(O)ccc4c3nc21 95475459 ULQUQQWVEMOBRK-UHFFFAOYSA-N 427.819 5.488 10 40 IKCB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219338434 FJFNSMZFRYZMRJ-QFQXNSOFSA-N 430.592 6.111 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222924905 ZSZJRTLNRFRRNO-JWQCQUIFSA-N 432.637 5.734 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 223518845 WHLUMJYIRVTVIC-OYKKKHCWSA-N 446.616 6.642 10 40 IKCB O=C1/C(=C\c2ccccc2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 408752362 IBRPMJKNOPCGGP-DEDYPNTBSA-N 437.724 5.937 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1 408987806 YJUHWQPWTFDBEC-XMHGGMMESA-N 436.338 6.863 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408995691 DGMMKSHTEGQBQV-PDGQHHTCSA-N 430.331 5.878 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(C)C 409332303 QDFQNSXLODIASS-YBFXNURJSA-N 433.982 5.789 10 40 IKCB CCCCCN1/C(=C\C=C/c2sc3ccccc3[n+]2CCCCC)Sc2ccccc21 5608181 ODOUQJUJWAJQKN-UHFFFAOYSA-N 449.709 8.036 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC 8821251 JYRYEXDCSVTAPA-BKUYFWCQSA-N 441.574 5.483 10 40 IKCB COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)ccc1OC)[C@H]1CC=C[C@@H]21 12628327 VRXRAZSWEMXZGP-XFQAVAEZSA-N 428.326 5.379 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(C)n1-c1cccc(F)c1 59137281 SELFYUHXLNONLX-RGVLZGJSSA-N 437.858 5.393 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)c(C)c1 59860628 OYPGCULNLPMKCC-RCCKNPSSSA-N 426.472 5.389 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1O 223098538 WYLROHGWWMZNCF-DQEYMECFSA-N 446.620 5.500 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223584627 HVKVFBUIKYPYIK-CPEHUTGBSA-N 436.646 6.513 10 40 IKCB Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc([N+](=O)[O-])cc1 408632315 DEOVXGBBWKIHAU-NDENLUEZSA-N 434.477 5.096 10 40 IKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408763026 GWPNKSGPIKCXOT-DEDYPNTBSA-N 438.270 5.736 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2sc3ccccc3c2Cl)cc1 408993161 CLLLAEXHHWRYMK-HMMYKYKNSA-N 444.943 6.398 10 40 IKCB COc1ccc(CN2C(=O)/C(=C/c3cn(CC(C)C)c4ccccc34)SC2=S)cc1 409128292 FARLKFANZXBFLT-UUYOSTAYSA-N 436.602 5.707 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1Br 409339999 OHWUGZQFOLVRFN-LDADJPATSA-N 448.407 5.952 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1O 2247238 RZQUNWPBOQQGJE-STZFKDTASA-N 435.526 5.599 10 40 IKCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1Cl 8845885 ZPNRAWVTBBFHRH-UHFFFAOYSA-N 441.940 5.314 10 40 IKCB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1 15947657 HSXUWTNSYKSWGW-ZIDLFYJRSA-N 427.751 5.423 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 223095098 CAUREACGIPCJMG-FTJBHMTQSA-N 444.648 6.103 10 40 IKCB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O 409220777 FPKDRQIODJAMJI-LFVJCYFKSA-N 446.572 6.119 10 40 IKCB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Cl)c2O)N3)C1 8919997 CONJMRGDCCHTBY-MGNBDDOMSA-N 439.408 6.731 10 40 IKCB CC(C)n1nc(O)c2c(-c3ccc(F)c(F)c3F)c3oc4c(O)c(O)ccc4c3nc21 95477125 OQTOHPCOWZCZNR-UHFFFAOYSA-N 429.354 5.113 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 208253393 ZZZNJUMSJHVYBT-FHOUHHFSSA-N 441.934 5.294 10 40 IKCB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225670329 DPELDEDPWLFOQJ-MJGOQNOKSA-N 439.625 5.456 10 40 IKCB Cc1cccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2cccc(Br)c2)c1 408752514 BEBKHLJMZXWGIY-FYJGNVAPSA-N 435.296 5.731 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 408984297 GKKNSTHGLNYYQQ-XMHGGMMESA-N 446.890 6.118 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)cc1Cl 409329642 GVXSZVHZDSLFLL-XDHOZWIPSA-N 430.982 5.355 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 9161392 KBXFDMHRRZHAGA-PEFFPKTRSA-N 425.945 5.167 10 40 IKCB N=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC(C3CCCCC3)=NN12 9678856 IKVQBKLILAPQRR-ONNBZHDSSA-N 449.492 5.054 10 40 IKCB CN(C)c1ccc(/C=C/c2c3sc(-c4ccccc4)c(O)[n+]3c3ccccc3[n+]2C)cc1 16248985 DETOPIKRAKFREX-UHFFFAOYSA-O 439.584 5.074 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccco1 16755251 XMXNXZPMWNMQTP-YVLHZVERSA-N 435.448 5.960 10 40 IKCB Cc1ccc(NC(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1C 104374730 SLOGLTWEBIEADC-UHFFFAOYSA-N 442.522 7.350 10 40 IKCB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)O)o1 408631223 GJPYUWKDAXLEMY-YBEGLDIGSA-N 448.342 5.020 10 40 IKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 409151547 HQZOLZFSHSCHDU-LQWHRVPQSA-N 429.345 6.415 10 40 IKCB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1 409176359 LKEFJKOSIPIGLA-NSIKDUERSA-N 429.281 5.447 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 409332208 QJWFERYTSKGRPG-MDBUFAAASA-N 433.982 5.932 10 40 IKCB Oc1c(/N=N/c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 8409955 XVKQVSUDKKABLM-CYYJNZCTSA-N 430.920 7.504 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)c1ccccc1 9296542 KHUNKFHVMMRFLO-BXDFRRGMSA-N 447.581 6.241 10 40 IKCB O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)cc1 100589768 LEYJJTBJCFGAQN-HXEHWPEMSA-N 432.461 6.623 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1 103917996 NFUPOABJGGKEQQ-XLNRJJMWSA-N 438.553 5.062 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(F)c1 223096426 NYBUCAISQISJSH-RPBOFIJWSA-N 448.611 5.933 10 40 IKCB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260619567 NVMZVYUVPLPGQB-YPCDYVTLSA-N 436.640 6.255 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 408784990 WOUIETCYXJETGB-ZGOFBEGVSA-N 445.632 6.380 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409060375 RICADZAXFSZJNF-KQWNVCNZSA-N 426.516 5.280 10 40 IKCB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2c1 409092145 VPVSJPZIVBKELE-OJSPLJLUSA-N 443.590 5.017 10 40 IKCB Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1Cl 409152455 JVRVHLMAEQRJGG-HHJKRLRDSA-N 438.423 8.112 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1c(Cl)cccc1Cl 640831 KBYUXRODIFNNHP-GHRIWEEISA-N 439.298 5.034 10 40 IKCB Cc1cc(C(=O)COC(=O)c2ccc(F)cc2F)c(C)n1-c1ccc(OC(F)F)cc1 3292009 SASMOQRLJTVHOB-UHFFFAOYSA-N 435.373 5.013 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)C(=O)N=C2S1 8453013 MDAZRPUJEXGDOD-WPTKKBASSA-N 438.940 5.338 10 40 IKCB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccccc1 9470763 HXRGVFDZZHAEAU-UHFFFAOYSA-N 429.549 5.058 10 40 IKCB O=C(C(=O)c1ccc2c(c1)sc1cc(C(=O)C(=O)c3ccccc3)ccc12)c1ccccc1 18194162 MAZZDWBYJOQDEJ-UHFFFAOYSA-N 448.499 6.186 10 40 IKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2C)cc1 20289131 CNUGERHFNABWRQ-KQWNVCNZSA-N 449.913 5.933 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 33778175 RROCPOUBLMUYBL-HRXHUYTNSA-N 433.581 5.520 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Cl 222919723 UNUAQIFMQZJBMG-DHIUTWEWSA-N 439.028 5.771 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(N(C)C)cc2)cc1 408780292 AQSNBQXMLHPPQK-LTGZKZEYSA-N 425.488 5.441 10 40 IKCB CCCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S 409347767 MRVUPPHSAKPKMB-FYJGNVAPSA-N 441.021 6.263 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 2173249 HJOHGVPHNSMMCE-SFQUDFHCSA-N 438.892 5.059 10 40 IKCB C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 9315607 CRBAGAYXTWLVSR-PAXILDSZSA-N 441.402 6.835 10 40 IKCB O=C1N(C(c2ccccc2)c2ccccc2)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 10039253 XBPATECPRFULHX-NDEPHWFRSA-N 447.563 5.674 10 40 IKCB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 15412345 ZVWWSTAUWNNNTH-HHHXNRCGSA-N 441.575 5.107 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3cc(Cl)ccc3OC)C2=O)cc1 33650909 MFNBAWVRUAVIDN-NDENLUEZSA-N 445.972 5.301 10 40 IKCB Cc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1 208666538 XXNVAMSSWLLZEH-MOSHPQCFSA-N 435.530 5.408 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 222881532 RITGKMNDZIXQJC-XZOQPEGZSA-N 439.028 5.833 10 40 IKCB Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)cc1 408841430 JAQLDUBGVPDQLM-HMMYKYKNSA-N 428.944 6.698 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1O 409349519 QPFHNTVFVVNSMK-VGOFMYFVSA-N 445.871 5.479 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F 409378677 RLGOSXMKEWVSJX-BOPFTXTBSA-N 433.451 5.305 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccccc1 1201912 AVXSNWOQUAJGIE-LFIBNONCSA-N 437.795 5.015 10 40 IKCB Cc1cc(C)c(/N=N/c2c(O)ccc3ccccc23)cc1/N=N/c1c(O)ccc2ccccc12 3845124 WCAMYFRZBDFRRO-JWTBXLROSA-N 446.510 8.852 10 40 IKCB CCCCCCc1ccc(C(=O)Nc2ccc(Cl)c3c2C(=O)c2ccccc2C3=O)cc1 12285380 FRNDHIQOOMNWHN-UHFFFAOYSA-N 445.946 6.491 10 40 IKCB CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1cccc(I)c1)N2 13633833 MDCQSQMXDAJHKA-LJQANCHMSA-N 435.349 6.389 10 40 IKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cccc(Cl)c2C)cc1 17097740 ADDPETASICIADT-QJOMJCCJSA-N 431.923 5.794 10 40 IKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1nnc(-c2ccc(Cl)cc2Cl)s1 101114414 QPABHDPQUKISAW-OQLLNIDSSA-N 448.310 5.370 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 222699388 MMCNJHRNFCOQIE-PUZWTLIVSA-N 432.593 5.477 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 222866395 LHDLFFPUQOYBFD-VXKWHMMOSA-N 441.000 5.231 10 40 IKCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225017105 WDUMEKQCMWLQMW-LOSJGSFVSA-N 446.620 5.413 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(OCC)cc3)C2=O)cc1 408994148 GNYJIKYNUFBTII-JJIBRWJFSA-N 446.934 5.972 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2[C@@H](C)CCC[C@@H]2C)c1O 2666248 FIQZJFNKDJRREJ-HOTGVXAUSA-N 448.588 6.101 10 40 IKCB biogenic CN1C(=O)/C(=C/c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)SC1=S 2966751 KMPOQHJUQBXDNI-HKWRFOASSA-N 427.591 5.273 10 40 IKCB O=C(CNc1ccc(Cl)cc1C(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 3310961 CAEGCGITXDGTRK-UHFFFAOYSA-N 432.829 5.640 10 40 IKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/Nc2cc(C(F)(F)F)ccc2Cl)SC1=S 8836372 FWLGQXSWIBRJBJ-OKHBPPCESA-N 442.915 6.234 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 9333945 UOPGTZWBVZVMHJ-CPNJWEJPSA-N 437.542 5.572 10 40 IKCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12629334 FUHDXRHLZMCVDW-GOSISDBHSA-N 448.617 5.195 10 40 IKCB CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N12 103563495 VPJYBQMHZZIKTB-OUQLGABESA-N 427.888 5.225 10 40 IKCB O=C(O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1 113836127 QMPSQXISLRNEHK-WOJGMQOQSA-N 425.462 5.190 10 40 IKCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4SC[C@@H](CC)N43)c2C)cc1 222696266 UDGOQJBMROSJDX-YNJKOYDBSA-N 430.621 6.031 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)N21 222699807 AKFNTNQDERCJSM-SXSPYAJSSA-N 446.576 5.167 10 40 IKCB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736428 SEHPPPYXVDYVJB-SLSDLSHTSA-N 443.459 5.909 10 40 IKCB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)c1 408737693 VEVMGCNEQFHKRQ-ZPSYUOPISA-N 426.560 6.889 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2cccc(C)c2)C1=O 408762656 PZKJBJBFPCXEDE-RCCKNPSSSA-N 447.332 5.601 10 40 IKCB CCC(c1ccc(N(CC)CC)cc1[N+](=O)[O-])c1ccc(N(CC)CC)cc1[N+](=O)[O-] 1678777 WGMVVKURIQFMPX-UHFFFAOYSA-N 428.533 5.737 10 40 IKCB CC(C)(C)c1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(C(C)(C)C)c1O 27019971 ULJUCQGJOWHBHF-PDGQHHTCSA-N 429.607 5.982 10 40 IKCB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc(C)c1Cl 28287545 JRUVXOVXTZRWLZ-IBGZPJMESA-N 437.971 5.419 10 40 IKCB Cc1ccc([N+](=O)[O-])cc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12 38611049 XYZMEPHFXJHGIX-CYYJNZCTSA-N 426.432 6.430 10 40 IKCB Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2Cc2ccco2)cc1 44086189 NWVDWIHNAOPYTG-UHFFFAOYSA-N 429.545 5.181 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc(F)c1 59418254 OWKCQAIHANQNNM-CIAFOILYSA-N 439.508 5.950 10 40 IKCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1Oc1ccccc1 65565052 RCMGALWAWCTKKG-UHFFFAOYSA-N 431.536 5.009 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1 224163989 PVXZIHITBWVNLF-CLJLJLNGSA-N 438.600 5.975 10 40 IKCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc(Br)cc1Cl 408527953 GVVZCDJNBZZKSU-ATVHPVEESA-N 440.728 5.974 10 40 IKCB COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c(OC)c1 408736424 RWLOHYZYHQPDCI-QEEYODRMSA-N 433.289 5.135 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 408774462 LNFFMXSTUVEERS-LMSRTUJASA-N 431.605 5.873 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1cccc2ccccc12 9056965 LNWDNRQXLHUYCF-UHFFFAOYSA-N 428.484 5.563 10 40 IKCB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1c[nH]nc1-c1ccccc1 16713893 SLWXFCRSCZNISO-JWGURIENSA-N 428.561 5.002 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1OC 34139218 FYCMGHTWLSVGBX-KGENOOAVSA-N 432.907 5.500 10 40 IKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Br)N1c1ccccc1 59229780 MXNPWNVQMUWHBJ-XDHOZWIPSA-N 447.288 5.012 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C 208224718 ZUJURWSKLNRXIJ-YSUUHWHMSA-N 438.568 6.093 10 40 IKCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223014605 XWYUATCBCJDGMJ-NOZRDPDXSA-N 448.636 5.033 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1C 408601881 LXFRBAXQXILRKI-BOPFTXTBSA-N 438.842 5.022 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409005969 HQAPBTNUHOVNMB-QRVIBDJDSA-N 446.528 5.102 10 40 IKCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)CC)C3=O)c2C)c1 409009927 ANEHAJWAOOSYKU-ZXOFLVKFSA-N 426.538 5.106 10 40 IKCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 409010492 FDWMPDKYUSYURS-ZDLGFXPLSA-N 447.362 5.482 10 40 IKCB Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc(Cl)cc1 409086563 VXKBFYPVHWYRJN-NPBUNYCVSA-N 432.998 5.128 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 409173094 JITKCVZWSBTSHZ-OEAKJJBVSA-N 442.906 5.393 10 40 IKCB CCc1cccc2c(/C=C3/SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c[nH]c12 409338625 NDORYXMRYPPXGU-CAOOACKPSA-N 433.385 6.443 10 40 IKCB COc1ccc(N2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1Cl 2123930 RJWIWIMEBDJFLI-UHFFFAOYSA-N 433.891 5.787 10 40 IKCB biogenic CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1 9293489 SALAHNMMZDAXSC-QFWXQOODSA-N 445.470 5.142 10 40 IKCB CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 17095417 NRYKAPVTBPBKFE-MOHJPFBDSA-N 427.504 5.231 10 40 IKCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 59138743 AZVNEHCTYAQTMA-LFVJCYFKSA-N 441.531 5.226 10 40 IKCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1c(C)cc(C)cc1C 100524906 LUSCOIQLEKZFLW-NZXNHFJFSA-N 448.508 5.519 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222918515 FOCWWRXNRKYHCX-LOSJGSFVSA-N 432.637 5.680 10 40 IKCB C[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 223393311 AIMDWSKCMZQSQB-SJORKVTESA-N 435.008 5.826 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(F)cc2)cc1 408755696 MDNRNIDDSAKSIH-HZHRSRAPSA-N 446.478 5.076 10 40 IKCB COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(C)cc2)cc1 408845278 VOTGZENXJGZDNW-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB Cc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 409367683 DJNVTTQFXYVCEJ-OVCLIPMQSA-N 438.361 5.240 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3C)C2=O)cc1 2220011 FMBIWAUAVADMIQ-WCIBBKAISA-N 441.531 5.865 10 40 IKCB Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1-c1ccccc1F 3378423 QSDHBUHCEMQPSM-UHFFFAOYSA-N 444.506 5.633 10 40 IKCB C/C(Nc1cc(C)cc(C)c1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17094843 CQWRZXFHQQZKQZ-NKFKGCMQSA-N 426.476 5.349 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)ccc1O 27229107 CBKCFDVYEDAZPJ-VIZOYTHASA-N 445.871 5.479 10 40 IKCB COc1ccccc1NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)S1 35644914 QIAIKXJFYDBBHU-HZHRSRAPSA-N 430.529 5.665 10 40 IKCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@@H]1CC=C[C@@H]21 96006224 MNMRDHYUXWCWFH-PLXFJCCSSA-N 442.515 6.317 10 40 IKCB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219349196 RPSBPPSUFWMDRP-PBDKAQRYSA-N 430.592 6.111 10 40 IKCB Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(Cl)cc2)c1 408758480 KSQVADYYIIAGJE-CIAFOILYSA-N 441.745 6.790 10 40 IKCB Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 408878179 XMNMEMUXLFBTLR-OEAKJJBVSA-N 444.918 5.214 10 40 IKCB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 409004179 WVKNXSFGSPBFAN-WVWNOFHPSA-N 448.526 6.602 10 40 IKCB Brc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 409156396 NQISHTXTDGPYNQ-OHUGHZGNSA-N 448.429 7.568 10 40 IKCB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 1145005 OCQRRULVSZORRW-CPNJWEJPSA-N 445.009 5.523 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 1300940 FNDRBZHVJIXFFF-LZYBPNLTSA-N 425.453 5.128 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc(C)cs3)C2=O)cc1 8819802 LRYUNNJEVLXPPS-ATVHPVEESA-N 445.635 5.160 10 40 IKCB COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 9076607 DDCRWQPCZQRMBM-RLSLOFABSA-N 443.474 5.658 10 40 IKCB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1-c1ccc2c(c1)CCC2 9794452 RMKFCFBMVXLCKL-UHFFFAOYSA-N 430.533 5.003 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN(C1CCCCC1)C1CCCCC1 59474355 KKMZXCXQNCQKGV-QNGOZBTKSA-N 449.085 6.466 10 40 IKCB S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCCCC1 408735806 XATXQIPZXPCRMI-UHFFFAOYSA-N 437.568 6.629 10 40 IKCB Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408868436 ORJRKUFRMPFTEK-HZHRSRAPSA-N 444.918 5.214 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)c(C)c3)c3ccccc23)c2ccccc21 409197377 DDNJCCNASOZHHH-NLRVBDNBSA-N 436.555 6.244 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 409351523 UYTIMWORIASBPL-KQWNVCNZSA-N 430.598 6.154 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3CC)C2=O)cc1OC 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5.833 10 40 IKCB Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223616987 DCPRZZJZEDTICQ-CSMVZQPBSA-N 431.580 5.589 10 40 IKCB CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408538731 PWQHUKHTFHJWAB-XMHGGMMESA-N 444.890 5.105 10 40 IKCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 408706673 CCPCMLGVXFMYCD-MRXNPFEDSA-N 442.346 5.393 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 408977182 VTBAIDKCANRADV-YDZHTSKRSA-N 443.909 6.288 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21 409173799 KHXFQFWLMXNSDC-SEDUGSJDSA-N 435.705 5.846 10 40 IKCB Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)n1-c1ccc(OC(F)F)cc1 3302629 AQTVQLWGAZPSBR-UHFFFAOYSA-N 445.487 5.442 10 40 IKCB COc1cc(/C=C2/C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc(OC)c1OC 13633449 UAZNQEKTYMCBSQ-UYRXBGFRSA-N 430.456 5.486 10 40 IKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cccc(Cl)c2C)cc1 20289120 SYJMZFXXWALBRG-KQWNVCNZSA-N 449.913 5.933 10 40 IKCB O=C1/C(=C\C=C\c2cccc(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113831232 WYFKXPTXYHKMHD-NKJMRRHMSA-N 447.335 5.319 10 40 IKCB Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 408770297 VSPORFZAYRFKRT-UHFFFAOYSA-N 434.319 5.545 10 40 IKCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 408779909 NJMKKRDPAMJHQI-RCCKNPSSSA-N 439.471 5.333 10 40 IKCB Fc1ccccc1-c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)o1 12375692 MXKJCWMNOAFNLS-UHFFFAOYSA-N 438.289 7.451 10 40 IKCB CC(=O)c1c(C)[nH]c(/N=N/c2cccc(C(=O)OCC(=O)Nc3ccc(F)cc3)c2)c1C 13015837 PRWYRFGRFOGEHS-BYYHNAKLSA-N 436.443 5.184 10 40 IKCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1Cl 13799208 HSESMEWEGFRHET-SFQUDFHCSA-N 436.294 6.163 10 40 IKCB Cc1cc(I)cc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 36239946 XHUJUZMMNHEFPO-FCEWJHQRSA-N 432.261 5.334 10 40 IKCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 98086650 WARKZRSSJOLKHO-BOPFTXTBSA-N 441.270 5.758 10 40 IKCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(C)cc1C 100525483 NOUCWJVRRIAKEM-SMIQVMJNSA-N 434.481 5.210 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 106707885 XYORHWJNYVOQLC-UCQKPKSFSA-N 432.545 5.648 10 40 IKCB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219338585 JQOKOQILDZDYOK-YZIHRLCOSA-N 430.592 6.111 10 40 IKCB O=C1[C@H](Cc2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 409144870 QIVPRWMESCXWKO-FQEVSTJZSA-N 443.977 5.484 10 40 IKCB Cc1nc(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)O)n[nH]1 409194777 RBNUFNTXDYCSIZ-HMAPJEAMSA-N 430.533 5.405 10 40 IKCB CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 409243139 YZFADPHZYZBEED-KGENOOAVSA-N 449.963 5.085 10 40 IKCB COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 9293255 PPJAODHIZIXASU-JKGLIZDUSA-N 449.580 5.076 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 19893364 LGPWBLSLPNPWQU-DEDYPNTBSA-N 441.961 6.405 10 40 IKCB Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1 58846947 FDUIUSAHULUCAN-UNVFRBQDSA-N 448.563 6.070 10 40 IKCB O=C1N=C(O)/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1c1ccc(F)cc1 59135640 UMRUNQXXCWYTCO-DEDYPNTBSA-N 434.398 5.051 10 40 IKCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)o1 101652147 CHCRREFKWVYWPZ-UNOMPAQXSA-N 437.839 5.323 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc21 208256079 OIGIGEPAMCSWEC-GNKPEBMXSA-N 426.969 6.303 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1 222829791 NOTFCFYTZJFMCF-YADHBBJMSA-N 425.001 5.523 10 40 IKCB Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 250660936 ZHSGGKNUWKMLFE-SLSDLSHTSA-N 432.361 6.855 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccc(Cl)cc3)c12 409141159 HCCAVVZYQFEOOI-ODLFYWEKSA-N 426.994 5.736 10 40 IKCB CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2216321 KTOXWMUPMZQOEM-HYTQYMIGSA-N 444.578 6.272 10 40 IKCB COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@@H]3CCCN4CCCC[C@H]34)c2c1 5551924 YFKOILHZKFBUBK-IQGLISFBSA-N 438.015 6.507 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3o2)cc1 16678558 PNQBTJXGUYJMPL-UHFFFAOYSA-N 429.520 5.667 10 40 IKCB Cc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc2)cc1 16790864 SHAVXHSJAUQQHL-RCCKNPSSSA-N 437.586 5.748 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)S1 35042661 HUEMGIPKMMWHOB-LFVJCYFKSA-N 428.557 6.219 10 40 IKCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1 223052294 LCKDNCRRLTUFOL-RPBOFIJWSA-N 448.636 5.061 10 40 IKCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225020981 CGNMWBTYJQLEOP-PKTZIBPZSA-N 431.609 5.108 10 40 IKCB CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2[nH]c(Cl)nc2c1 225986082 IGKWIEKGVWBNIY-UHFFFAOYSA-N 434.971 6.066 10 40 IKCB COC(=O)c1cccc2c1N[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)[C@H]1CC=C[C@@H]21 408736214 LVEVYOWPUFCVJO-DPLHUUCSSA-N 425.484 5.519 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 409041352 ZXUVQTXFNLWPKQ-FARCUNLSSA-N 437.151 5.201 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1F 409217493 CMMCEXQFMRDBED-RGVLZGJSSA-N 426.900 6.128 10 40 IKCB Oc1ccccc1C1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@@](O)(C(F)(F)F)C1 8711396 MHQQUTDABPLFII-SFHVURJKSA-N 439.846 5.034 10 40 IKCB Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2ccc(N(C)C)cc2)c(C)c1 9129699 ABEQGPAHOAUDTA-NDEPHWFRSA-N 441.575 5.257 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 9291203 DRGUQLWFWZVQJP-OMYHDSEFSA-N 447.608 5.910 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)c(C)c1 9849596 UZYQCVGGJOZPKF-NDENLUEZSA-N 425.962 6.623 10 40 IKCB CCCCCCOc1ccc(Cl)cc1/C=C1/SC(Nc2ccc(C)cc2)=NC1=O 34688390 DYENCSQXADZPLW-RCCKNPSSSA-N 428.985 6.690 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc2ccccc12 59435748 TXIATVHRFFEYEK-UNOMPAQXSA-N 438.310 6.024 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cccc(Cl)c1Cl 100148595 DIXCICPTZAZZGO-UKTHLTGXSA-N 425.113 5.474 10 40 IKCB COc1ccc(N2N=C(C)/C(=C(\C)NCCC(c3ccccc3)c3ccccc3)C2=O)cc1 103916538 GYLIMAHLFDHNSB-OOAXWGSJSA-N 439.559 5.504 10 40 IKCB Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(Nc4ccccc4)=NC3=O)c2)cc1 107989152 OSBHYWOCUUPJQE-JCMHNJIXSA-N 443.528 5.095 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4)c3C)N21 222697472 SKTZDCCDOILRJT-OFAXGOBFSA-N 437.012 6.122 10 40 IKCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O 223516286 JXEISMKOFMDYAI-YODDIOPGSA-N 442.581 5.003 10 40 IKCB COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226797247 QXNZFKVUXOSUBA-XQBPLPMBSA-N 441.369 5.042 10 40 IKCB O=C1/C(=C\c2ccccc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 408756015 XDRVZTGSHMJLJJ-XMHGGMMESA-N 430.916 6.095 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 408762200 AEBDELKEGBZZMF-RGVLZGJSSA-N 445.708 6.620 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1CCCc1ccccc1 409142323 YCGUBGLSAOECAB-NCELDCMTSA-N 442.584 6.109 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21 409166467 DVXRIKIOZGPRHO-SNUQEOBHSA-N 435.159 6.047 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409330205 JSGHSAXRTGRWHU-WMRWHDLOSA-N 427.591 5.895 10 40 IKCB CCOc1ccccc1/C=C1\SC(N2CCN(c3cccc4ccccc34)CC2)=NC1=O 2690896 BCMUBTPGBJNOPA-MOHJPFBDSA-N 443.572 5.031 10 40 IKCB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)c1 8821407 XZQUAIRRTAIKHW-UDWIEESQSA-N 439.945 6.208 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 18173586 ZECGSTGJDMTRMU-SXWKCWPCSA-N 430.891 6.306 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 18190554 POOJOVDCRMEOOP-HAHDFKILSA-N 447.581 5.988 10 40 IKCB [N-]=[N+]=NCC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 97965261 FANNRODASUFRCI-RILPJZFCSA-N 440.334 6.427 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 408737961 LSRJIXWIRCGURQ-KGENOOAVSA-N 447.332 5.834 10 40 IKCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408759777 LKZYZOCEHSFYIF-PXLXIMEGSA-N 430.891 5.270 10 40 IKCB O=C(COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O)Nc1ccccc1 408903066 UGUYFZLHEPPWJB-RCCKNPSSSA-N 446.553 5.110 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1[N+](=O)[O-] 408903319 XGCKVTDNAWFGSK-CIAFOILYSA-N 449.557 5.717 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 409162700 HCNFLJQBWFTNKC-MVERNJQCSA-N 427.569 6.812 10 40 IKCB COC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c1 1099148 OATGUVJSNPZSPQ-CPNJWEJPSA-N 427.547 5.267 10 40 IKCB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1ccc(C(F)(F)F)cc1 9365874 SICBMLUXMNAFME-UHFFFAOYSA-N 434.487 5.323 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)N=C2S1 9553888 NRCBZMWJUMFBSC-VYIPLNHISA-N 445.523 5.248 10 40 IKCB COc1ccc(-c2cnc3cc(-c4sccc4-n4c(C)ccc4C)nn3c2C)cc1OC 12955302 QBBOLNZCIIZAQO-UHFFFAOYSA-N 444.560 5.858 10 40 IKCB Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1Cl 14476903 NUOIGBKNJVBSHK-OAVHHTNSSA-N 442.127 6.425 10 40 IKCB CCOc1ccc(/N=N\c2ccc3oc(=O)c(C(=O)Nc4ccc(OC)cc4)cc3c2)cc1 104290530 FVKXZRYEJHVOSZ-DQSJHHFOSA-N 443.459 5.868 10 40 IKCB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408998797 CEHXYBXVLQQRGI-YWXXVPTNSA-N 444.535 6.382 10 40 IKCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 409012598 QTBHIZJZVAJHHK-XNTDXEJSSA-N 445.233 5.059 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409090043 OGTOGOXRHLDGII-CPNJWEJPSA-N 444.403 5.101 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1Br 409349800 WFFSSVBDCBLILE-MHWRWJLKSA-N 438.343 5.393 10 40 IKCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc4ccccc34)C2=O)cc1 2285330 GUNXOVNNHNNGGS-CJLVFECKSA-N 446.597 5.768 10 40 IKCB C[C@H]1CC[C@@](C)(COC(=O)c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)C1(C)C 3846125 RXKGVUCNZGYOMG-QYHXTZSESA-N 430.548 7.580 10 40 IKCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 9188787 WVQRXHTYECPZOG-ZHZULCJRSA-N 434.498 5.793 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1O 13687834 GEXZUQFRLQXQNL-SOFYXZRVSA-N 426.346 5.504 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1cccc(C)c1 16713251 HWPMIPNJCSFVSU-HZHRSRAPSA-N 427.460 5.288 10 40 IKCB COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1Br 27501340 FGJAAUYGCYCBBX-QPEQYQDCSA-N 440.124 5.571 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1 33916092 HIMMNIZYYSFZNM-QNPCYTEQSA-N 441.560 5.667 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc5c(c3)OCO5)N4)sc2c1 58851215 XOKOBLQTNGTYAK-MVYHEMRASA-N 438.552 6.827 10 40 IKCB C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1 225694830 PCEFBJPCFFVYLX-CYBMUJFWSA-N 427.923 6.007 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408940591 OGSSSDSOEQYLEB-FYJGNVAPSA-N 437.326 6.379 10 40 IKCB CCc1cccc2c(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c[nH]c12 409341426 AOPCUBJHXIBNRM-RQZCQDPDSA-N 432.492 6.155 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(Cl)cc3)cc2)SC1=S 2843861 UHIJWEHVGJGYQK-RGEXLXHISA-N 433.982 5.409 10 40 IKCB Cc1ccccc1N1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 9245089 PZIJVRHVNHXTDW-UHFFFAOYSA-N 441.940 5.314 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(OC)c(Cl)c4)o3)C(=O)N=C2S1 33143532 YDIPZWUZDSRIPC-CCPUYDQRSA-N 428.901 5.028 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc(C)c1OCc1ccccn1 97053863 YYSLOSUUFJXNKH-UDWIEESQSA-N 433.558 5.078 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 205657348 QKXGIXYNHWJSFI-AWQFTUOYSA-N 444.940 5.151 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc4ncccc4c3)C2=O)cc1 408762470 KZKCKIPRLAUBEL-QNGOZBTKSA-N 438.914 6.368 10 40 IKCB Cc1cccc(CN2C(=O)N/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)C2=O)c1 409250759 NVUPFEABXFCCHM-PCLIKHOPSA-N 435.527 5.399 10 40 IKCB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2 2755710 KGXLDPOLPLEHKB-IRXDYDNUSA-N 447.597 5.360 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2O)c1 8834457 XNSIGROBMDJVNZ-HZHRSRAPSA-N 449.510 5.177 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cc(C)cc(C)c4)C(=S)N=C3O)o2)cc1 59137949 PXWTUKKCOXRCMP-DEDYPNTBSA-N 448.569 6.028 10 40 IKCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)c1C 59862202 NMDGNKQREDVHOI-PXLXIMEGSA-N 426.472 5.389 10 40 IKCB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1F 224915171 HVRBFAVCMXZNOH-RPBOFIJWSA-N 442.563 5.805 10 40 IKCB O=C1/C(=C\c2ccccc2F)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1 408758050 GEEUVNMWDLZVPJ-XMHGGMMESA-N 432.907 6.528 10 40 IKCB CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 409127283 PIWCLOWZALDBBK-UNOMPAQXSA-N 447.398 6.001 10 40 IKCB O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccccc1 409388397 VBVUAYZTKVWZCP-UUASQNMZSA-N 434.325 5.506 10 40 IKCB CCCCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCCCC)c1 8398797 YDDGFSIPAIZZGP-QVIHXGFCSA-N 436.600 7.920 10 40 IKCB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2Cc2ccccc2)cc1 44086292 LHAZENIRHUWBKF-UHFFFAOYSA-N 443.572 5.646 10 40 IKCB O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C(=O)N1c1ccccc1 83297173 GZIPMIGOIWPLLT-XSFVSMFZSA-N 432.863 5.426 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c(C)c1 260753204 BQPFSGQKXIVOGC-HFRGRHLUSA-N 430.621 6.004 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 409153375 HVOWVHLYWOCWMW-XNJGSVPQSA-N 428.679 6.948 10 40 IKCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl 409331747 OUXFLYQEXHPESU-MKMNVTDBSA-N 445.736 5.961 10 40 IKCB O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)cc1 4705995 LEYJJTBJCFGAQN-QSZPNPOGSA-N 432.461 6.623 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 9158803 XLTJRSAMLCEVNM-ONWPUYBOSA-N 433.581 5.466 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1 9311256 CFBADPRSQHRLKB-HIXSDJFHSA-N 444.534 6.910 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)Sc1ccccc1N2C 12524492 AZXKEHCCKIWNEC-UNOMPAQXSA-N 431.948 6.379 10 40 IKCB CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 16791054 IDOFVDVYSKOXIQ-NPRIEWAGSA-N 434.026 7.018 10 40 IKCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 408600548 CWNAKLQGBNRYHY-XNTDXEJSSA-N 445.233 5.059 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C)ccc3C)C2=O)cc1OC 408752123 BVPMXSPNRBINKA-KGENOOAVSA-N 445.946 6.445 10 40 IKCB CC(C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O 409329837 HHPCPCDKQKCXIW-BOPFTXTBSA-N 434.380 5.642 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1 8819675 VSIKWIVYXHPDMM-RGEXLXHISA-N 445.009 5.740 10 40 IKCB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 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CCc1ccccc1N1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=S 35039308 SEHSZAIQQVFUPR-LFVJCYFKSA-N 445.609 6.542 10 40 IKCB CC(C)n1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cn1 95473148 AMBCLWQNZXUZIU-UHFFFAOYSA-N 433.468 5.007 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Cl)ccc1OCc1ccccc1F 108199026 OSAAYWVPRCOLPY-BKUYFWCQSA-N 438.911 6.141 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222619799 JLYLNPTXAPLXNM-PBNUPURSSA-N 437.012 6.040 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1 223493930 NHBSSFBVHUHYPA-LOSJGSFVSA-N 439.588 5.057 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccccc3F)c2)C(c2ccccc2)=NN1c1ccccc1 409079255 JAVZUXCSIPHVBP-LGUFXXKBSA-N 448.497 6.239 10 40 IKCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 409329315 DPAGZSNJVZXSDG-WQRHYEAKSA-N 435.401 5.999 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 2218253 HMELNVRBDFFHHJ-MXJLDLDKSA-N 441.531 6.114 10 40 IKCB CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S 2696929 OELSEMJJWCBMTR-QNGOZBTKSA-N 449.601 5.549 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C)C2=O)cc1 8819740 KHRXTGHOZLBDAU-PGMHBOJBSA-N 438.618 5.704 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1 223343675 JUZDLMWYDHIEPW-RPBOFIJWSA-N 442.588 5.563 10 40 IKCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408901354 DMCJFYGEDJMPIT-FYJGNVAPSA-N 449.557 5.717 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)c1C 408961923 VPBLRPVUOLVYJQ-UCQKPKSFSA-N 447.966 5.711 10 40 IKCB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409231455 KIZWVDJZYDPZFG-WNSCPLKPSA-N 444.556 5.157 10 40 IKCB COc1ccc(OC)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1 13389317 HZYMXLLRPKVOHI-STXHMFSFSA-N 433.289 5.135 10 40 IKCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccco1 13773796 KNNZOAPJSUDIIU-CPNJWEJPSA-N 443.546 5.041 10 40 IKCB CCN(CC)c1ccc(/N=N\c2cc(Cl)ccc2Cl)c(NC(=O)CCC(=O)O)c1 16980516 DKJDXDIRDMGZGH-IZHYLOQSSA-N 437.327 6.058 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2 32593921 ULVWBZUFPNBCHT-KEBDBYFISA-N 439.489 5.216 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 33784807 KWYHEUOOCDTJBL-RNJGGXIZSA-N 447.608 5.910 10 40 IKCB Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 83309593 CEOKFARTXKBPSW-RCCKNPSSSA-N 442.515 6.281 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(C)C 96193390 JYGIRNIDBSUZNP-ZDLGFXPLSA-N 443.341 5.299 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 96663416 WFMVGRFEISAHFU-XQNSMLJCSA-N 436.540 5.681 10 40 IKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Nc2ccc(OC)cc2)cc1 112292432 AMFBVBPALQGUKF-XHPQRKPJSA-N 440.547 6.328 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 222700310 AMZQPMQIVMEBCH-PNTFMKQHSA-N 445.636 5.535 10 40 IKCB 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440.872 5.247 10 40 IKCB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)c1c3c(n4ccccc14)C(=O)c1ccccc1C3=O)C2 100707286 LBLNXFXDMUUCNF-NIGURAHDSA-N 427.500 5.086 10 40 IKCB Cc1cc(/N=N\c2ccc(/N=N\c3ccc(S(=O)(=O)O)cc3)cc2)cc(C(=O)O)c1O 103836105 MZTTYRHRQVDPIL-ICHHBZPXSA-N 440.437 5.476 10 40 IKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1 112289177 WJZWWRNPGQQEMC-BWAHOGKJSA-N 429.495 6.507 10 40 IKCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C 223601080 DGVHJIVOVHYWND-SDLXJUDFSA-N 445.563 5.162 10 40 IKCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)c1 408763269 MLMQMGMCNMXMGG-WSDLNYQXSA-N 447.922 5.031 10 40 IKCB CCOc1ccc(-n2c(C)cc(/C=C3\S[C@H](Nc4ccc(CC)cc4)NC3=O)c2C)cc1 408786441 JZWPRYXEGKLBMR-GTWFGUSFSA-N 447.604 5.655 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1C 408960260 KIZAWEIYUUMJBQ-UCQKPKSFSA-N 448.563 6.341 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(F)c1 409192697 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445.632 6.716 10 40 IKCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(C)C 408902883 MXAVCXWJIIJQIE-HYARGMPZSA-N 445.494 5.023 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2Cl)cc1 408994749 ILOZLBFFSGPBNA-KGENOOAVSA-N 448.906 5.200 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)SC2=S)cc1 409348712 OSFZUNUWEMIJHV-RGEXLXHISA-N 439.583 6.235 10 40 IKCB CCN(CC)C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1 1339991 KHMATBHUKHEJFF-UHFFFAOYSA-N 432.033 6.055 10 40 IKCB CCc1ccccc1NC(=O)CSc1ncc(-c2ccc(OC)cc2)n1Cc1ccco1 1355647 AUIALUOKZRJXJM-UHFFFAOYSA-N 447.560 5.493 10 40 IKCB COc1cc(/N=N/c2ccccc2)c(OC)cc1/N=N\c1c(O)[nH]c2ccccc2c1=O 18169477 DHQPPOYLOLLOCW-COGCMUBNSA-N 429.436 6.082 10 40 IKCB COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 37613798 KLLKBTDTOANIRJ-SLSDLSHTSA-N 432.545 5.323 10 40 IKCB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2 58848885 PNDBLSLENAVWPN-LZCXECNNSA-N 446.572 5.631 10 40 IKCB 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34387675 WRTDUTXRISMHDT-OSZNWEDFSA-N 437.544 5.433 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc(Cl)cc3F)cc2)C1 223393254 AIMDWSKCMZQSQB-IAGOWNOFSA-N 435.008 5.826 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)cc1 409070508 YRSASBKZVNGMRI-JPOGYNCRSA-N 440.565 5.035 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@H]21 409173800 KHXFQFWLMXNSDC-VNBZBWLYSA-N 435.705 5.846 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 409212613 RJDBEWYBQXPHED-YBFXNURJSA-N 439.876 5.848 10 40 IKCB Cc1cc(C(=O)CSc2nnc3ccc4ccccc4n23)c(C)n1-c1cc(F)ccc1F 630390 FYOFFRVREINDJZ-UHFFFAOYSA-N 448.498 5.543 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(C)cc1)N1CCCC1)c(O)c1ccccc12 2667762 MFGPNBZKRBMEIK-RUZDIDTESA-N 443.543 6.270 10 40 IKCB C/C(=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O)c1cccc(Br)c1 2700399 RQQSPJOLWDPASH-DHDCSXOGSA-N 442.762 6.038 10 40 IKCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(O)=NC2=S)c1 33704194 HBDGMVHHVIVDJN-XDHOZWIPSA-N 437.540 5.023 10 40 IKCB C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)C1 225779904 OENDBBBRAWFONM-FQEVSTJZSA-N 448.994 6.085 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC(C)C 409327061 HGJGRFMGUCTHDX-OEAKJJBVSA-N 449.597 6.289 10 40 IKCB Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1C 8819667 PKJKPNIBXLNGIO-PGMHBOJBSA-N 438.618 5.704 10 40 IKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 16031648 IYFBLMBSWRSJAH-SECONTTBSA-N 432.608 5.441 10 40 IKCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O 223610835 UZDNCHARNPYWDT-KJJXXWTESA-N 444.597 5.093 10 40 IKCB S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(CSc2ccccc2)cc1 225420326 WRAGCLVVTYPSMF-UHFFFAOYSA-N 449.645 5.302 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)cc21 260755900 CEZFZHAFRFTQNL-KBJGYGKASA-N 439.028 5.956 10 40 IKCB Cc1ccc(COc2ccc([C@@H]3Nc4ccc(Br)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736094 FBOJGKLZYSHIKP-UMFSSWHCSA-N 446.388 7.163 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 409041713 JIAPFSRQKYSKJG-FPYGCLRLSA-N 437.151 5.201 10 40 IKCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O 409345173 KCLICYKXWIIUSS-BOPFTXTBSA-N 434.380 5.562 10 40 IKCB CCCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)SC1=S 409350878 SOEHHWFBYBFTJJ-CPNJWEJPSA-N 448.009 5.929 10 40 IKCB CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2696926 DYOBMMIYFBIJLA-UYRXBGFRSA-N 439.993 5.804 10 40 IKCB O=C1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)c2ccccc2N1c1ccccc1 20059448 XJSXKAUJYCFQMY-OVVQPSECSA-N 444.509 7.048 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c1 59136230 RCSLHWOPJSEJST-CPNJWEJPSA-N 447.535 5.522 10 40 IKCB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1 224195310 AKYKFFWLFYQKDR-LOSJGSFVSA-N 439.588 5.370 10 40 IKCB O=C1S/C(=C\c2cc(/N=N/c3cccc(Cl)c3)ccc2O)C(=O)N1c1ccccc1 408728141 WDDUTIPELGCXIY-KVKHVCHQSA-N 435.892 6.702 10 40 IKCB CCc1cccc2c(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)c[nH]c12 409338708 OSSLQJYGJVWEPJ-CAOOACKPSA-N 433.385 6.443 10 40 IKCB CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 3769548 LEFJZDNKFDMCFH-HTMJNSLASA-N 448.407 6.032 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)cc1 6241620 LKOHGFCXPAZGDV-PKXQUSJVSA-N 434.624 5.360 10 40 IKCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 34713528 CGXFOPNNJZBIFO-UNOMPAQXSA-N 439.298 5.034 10 40 IKCB Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1ccsc1 102005937 GORQYQJYNCVMMB-PXNSSMCTSA-N 427.323 5.459 10 40 IKCB Ic1ccc(/N=N\c2ccc(I)cc2)cc1 105018984 FHSRQGXDVXFRHU-NXVVXOECSA-N 434.018 5.311 10 40 IKCB Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c3ccccc32)cc1 113837730 AVBOODYPWGZGSO-BUVRLJJBSA-N 440.593 6.404 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccccc4C)=NC3=O)cc2C(C)=CC1(C)C 208522335 YBKBZQVBYACPIL-UCQKPKSFSA-N 431.605 6.408 10 40 IKCB COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409086119 YNBAHRGASPBROE-HKWRFOASSA-N 433.305 5.292 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)cc1C 409208682 DTXKRWMOPVEDBX-APSNUPSMSA-N 439.345 5.924 10 40 IKCB CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O 409339696 KSTBRAUUJUPMDT-PDGQHHTCSA-N 448.407 5.952 10 40 IKCB CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccccc3Cl)c2C1 3068149 OPEJVGJUZDOBQQ-UHFFFAOYSA-N 428.757 6.715 10 40 IKCB c1ccc2cc3nc4c5ccc6ccccc6c5c5c6ccccc6ccc5c4nc3cc2c1 3847098 OWWHVTARRXGHFX-UHFFFAOYSA-N 430.510 8.549 10 40 IKCB biogenic O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc(Cl)c1Cl 12496949 HMJOTZPVUYVTMA-UHFFFAOYSA-N 447.303 5.429 10 40 IKCB S=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(Cc2ccccc2)CC1 24007534 YNGOFYLVPFXQFB-UHFFFAOYSA-N 441.394 5.202 10 40 IKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(Cl)cc1OC 112293609 GYGOTOACUXYVQJ-BKUYFWCQSA-N 431.895 5.385 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222969501 MHEGPEGCIWGXKB-UKILVPOCSA-N 432.637 5.879 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)cc1 408841421 GYAIEKBQWVUWNR-KGENOOAVSA-N 433.305 5.298 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Br)c1 408978416 ZPRHYROTDAYVQV-UYRXBGFRSA-N 426.310 5.025 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2cccc(C)c2)cc1 408996234 LRTZDAVJTGERCH-JJIBRWJFSA-N 440.499 5.015 10 40 IKCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)c1 409131597 YJVPRRFPCGQOBP-YBFXNURJSA-N 445.924 5.915 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)c(C)c1 409330685 LZLCQHNMRJTKJX-BKUYFWCQSA-N 449.557 5.467 10 40 IKCB COc1ccc(-c2csc(Nc3ccccc3)[n+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 1466365 QKZRRGSYSBVQHQ-HSZRJFAPSA-O 448.524 5.097 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1 2169695 FOQIRFZXAPGBQP-RGVLZGJSSA-N 437.448 5.329 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 9265419 YEVRLOXBKWDPNR-HAHDFKILSA-N 441.531 5.192 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)c(Cl)cc1OCc1ccccc1 13915353 HRWICLZJCHROAC-JAIQZWGSSA-N 445.993 5.681 10 40 IKCB Oc1c([C@@H](c2ccccn2)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 19902788 TZGHJILNBSLQPO-DEOSSOPVSA-N 448.929 5.040 10 40 IKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2Cc2ccccc2)cc1 44086320 JFKKHLOZFXBTIB-UHFFFAOYSA-N 427.573 5.946 10 40 IKCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O 223557876 LSDMZDVXUASUMS-AHQHQLSQSA-N 444.597 5.175 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 223568250 SWAPHRPZQHJYHT-CSMVZQPBSA-N 431.580 5.589 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 409142716 LKJSXCXPORVRRA-UDWIEESQSA-N 425.506 5.570 10 40 IKCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)c1 8496256 OBYUIUKQASODNT-MOSHPQCFSA-N 434.879 5.501 10 40 IKCB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(OC)c2O)N3)C1 8919852 DNRNWSQLRCAIST-WYRIXSBYSA-N 434.989 6.086 10 40 IKCB COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC 9763604 HDILAOFDMAEPHF-MDOVXXIYSA-N 445.313 5.509 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)o2)cc1 59137937 VWXAIYJOJNOLHM-LDADJPATSA-N 438.892 5.899 10 40 IKCB Cc1cccc(NC2=NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)S2)c1 208242434 PPVUUBRPDLUHFJ-SYZMQFJCSA-N 440.012 6.453 10 40 IKCB O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 408722422 IQRACHHTYOURSC-BJMVGYQFSA-N 446.142 5.132 10 40 IKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1c(F)cccc1Cl 409016036 AWYUOFSKOJAXET-DHDCSXOGSA-N 440.685 5.663 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 409023495 FMARNUMZOIHFOE-BUVRLJJBSA-N 446.572 6.118 10 40 IKCB CSc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12 409029426 AUBOZEYSVAZQGM-NTEUORMPSA-N 448.416 6.063 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409236952 HDPXKLNYYZKBOK-LFIBNONCSA-N 441.270 5.228 10 40 IKCB CCCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S 409344592 HIOGWJTYDRMCNU-JAIQZWGSSA-N 444.984 6.093 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(O)=NC2=S)cc1 858026 OABKDYLLAMSCTE-PXLXIMEGSA-N 435.593 5.844 10 40 IKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)SC1=S 3361233 TYEUESJMYCGGEU-PXNMLYILSA-N 444.931 5.987 10 40 IKCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccccc2Cl)cc1 19646658 REANNLZFROTZDY-KQWNVCNZSA-N 447.922 5.494 10 40 IKCB CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 27018103 GWAQBXYMGYFLLM-JWGURIENSA-N 447.629 6.239 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1 27549494 IVHSNXMYPOLLDL-ZQCYNNBZSA-N 441.560 5.355 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl 58822033 HHDKQQHVHINKIT-FYJGNVAPSA-N 437.326 6.379 10 40 IKCB Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408948799 GYARYGRTIMSAHV-ZMOGYAJESA-N 440.543 5.129 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3C)C2=O)cc1 408986260 PFZZFQVNKIJMIV-CJLVFECKSA-N 429.947 6.827 10 40 IKCB CCCN1C(=O)/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2OC)SC1=S 409352039 VULLITPIJCJCCN-NHDPSOOVSA-N 427.635 5.774 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 1411623 QMDCGONLKNERSS-YVLHZVERSA-N 449.384 6.209 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccco1 8821276 CUUIHRBUGASIGL-NDENLUEZSA-N 441.961 5.913 10 40 IKCB CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 15015615 MFCWHXAXSHFDJA-UCQKPKSFSA-N 440.587 6.947 10 40 IKCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 16699684 NNISLMMBLACSTE-PXLXIMEGSA-N 439.602 5.808 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)c(Cl)c3)C(=O)N=C2S1 41083191 TYWALCBXWWZKOK-NIHHYISTSA-N 432.336 5.059 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1Cl 58865624 PKIFCBOQOQWXIT-UHFFFAOYSA-N 447.314 5.716 10 40 IKCB Cc1ccccc1N1C(=O)C(=Cc2cccc3ccccc23)C(=O)N(c2ccccc2C)C1=O 59484135 RXLPFZBHMMGYOD-UHFFFAOYSA-N 446.506 6.040 10 40 IKCB Oc1cccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)c1 95474724 MACVOVNAIQDNLX-UHFFFAOYSA-N 431.448 5.325 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1C 222924263 NVWJVFAIAPZSCL-LOSJGSFVSA-N 432.637 5.734 10 40 IKCB COc1ccc(C)c2c1N[C@@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 409184228 FXHYGKPCEPIEIZ-SIFCLUCFSA-N 430.342 5.610 10 40 IKCB O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1cccc2ccccc12 409335640 XXYRQZPNSQBQSY-WQRHYEAKSA-N 442.359 5.714 10 40 IKCB Cc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409351268 SVPREESUHRHPJA-BKUYFWCQSA-N 448.569 5.194 10 40 IKCB Clc1cccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)c1Cl 6444489 RPFZUFVCTNLFBZ-WVQJBOLRSA-N 442.127 6.425 10 40 IKCB Brc1ccc2c(c1)c1cc(-c3ccccc3)oc1c1nc3ccccc3nc21 8453844 FVMPBMIDGOQKTC-UHFFFAOYSA-N 425.285 7.112 10 40 IKCB Cc1cc(/C=C2\C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc(C(=O)O)cc1 13138332 WQJMUIQFTZPGDZ-UQQQWYQISA-N 434.495 6.011 10 40 IKCB COc1cccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 33430171 DSDMBCWLZJXWSK-UNOMPAQXSA-N 449.981 5.028 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21 208462092 KQWBBUIHUZYHGQ-MTJSOVHGSA-N 435.955 5.373 10 40 IKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C 208532180 UJHHRJFOLFNVOF-XKZIYDEJSA-N 449.982 5.763 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(F)(F)F 222737839 CPPPPYHVMOMXQF-UXHICEINSA-N 430.499 5.110 10 40 IKCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 408709199 YMOLSHMZZOZZGH-QGZVFWFLSA-N 441.453 5.105 10 40 IKCB CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 408738467 XXDKWUZCUXUIHE-RCCKNPSSSA-N 429.903 5.988 10 40 IKCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(C)cc1 408945132 VYLLVFVLZOXZDX-HZHRSRAPSA-N 440.499 5.025 10 40 IKCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Oc2ccc(Cl)cc2)cc1Cl 585152348 RURZHNJMOCMVOO-XDHOZWIPSA-N 433.360 6.242 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 640810 PBPKAYPEINPQMU-XDHOZWIPSA-N 439.298 5.034 10 40 IKCB O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1Cc1ccco1 8821432 SOPPOOGQGAAMEC-RQZCQDPDSA-N 436.341 6.248 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 9209689 XGJMMCXRNSKHQP-RUYQORCYSA-N 432.549 5.926 10 40 IKCB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1 9293319 SYTCIKQGFXBZER-BYOKLEKTSA-N 432.336 5.040 10 40 IKCB CCC(CC)C(=O)N1CCC(NCc2cc(C)n(-c3ccc(F)c(F)c3F)c2C)CC1 58018658 ZMBHKDGNWUMHNR-UHFFFAOYSA-N 435.534 5.028 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccccc3OCc3ccccc3)cc2)CC1 218987433 VHEZPBDSNIILKQ-JOCHJYFZSA-N 428.576 5.993 10 40 IKCB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 225669923 MBZSJKNJVSWNHE-HZPDHXFCSA-N 446.016 5.411 10 40 IKCB COC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 408864709 YLJPINNWZRVBIG-TYILLQQXSA-N 444.325 5.079 10 40 IKCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1C 1474247 ATOCBSRHJRFOBM-UQQQWYQISA-N 448.526 5.662 10 40 IKCB Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2302383 JMDBTMFUASRSSI-IAGOWNOFSA-N 439.515 5.705 10 40 IKCB CO[C@H]1O[C@@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1N=[N+]=[N-] 5882360 NBKQFQWEPBVLEY-HAGHYFMRSA-N 438.311 5.146 10 40 IKCB COc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 16291432 QMODIBWKRXABQU-UMFSSWHCSA-N 442.515 6.317 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c(C)c1 58846201 STIPYWGGYMULJO-VVZHRXSXSA-N 448.563 6.070 10 40 IKCB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1 58846321 FCSBBECEXJDAME-VVZHRXSXSA-N 448.563 6.070 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2sc3ccccc3c2Cl)cc1 408999638 RPJKJVVZGVNYKH-QGOAFFKASA-N 434.904 5.991 10 40 IKCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C2=O)c1 2231093 KNBVFKYFERGHOR-BUVRLJJBSA-N 449.510 5.813 10 40 IKCB Cc1ccc(Nc2c(-c3ccc(Br)o3)nc3ccc(Br)cn23)cc1 4793983 RGGAUOFTKMEVOW-UHFFFAOYSA-N 447.130 6.171 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C(=O)N=C2S1 9425700 ISSZURQCKOBWIM-HTYYESGYSA-N 447.347 6.063 10 40 IKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(Cl)c(F)c3)C2=O)cc1 17099729 JWHKGPVYLOTNPD-JCMHNJIXSA-N 435.886 5.625 10 40 IKCB COc1ccc(-n2c(C)cc(C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)c2C)cc1 22008498 DUHHJAIILLQKCL-HSZRJFAPSA-N 448.954 5.009 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1Cc1ccccc1Cl 32593917 FCIJAEXUWJALCI-YBFXNURJSA-N 429.925 6.141 10 40 IKCB O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Br)c1 34766218 KKZDPWAMGQXWOF-WDEHBGAFSA-N 447.335 5.319 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3c(F)cccc3Cl)N4)sc2c1 58851048 ZBCFUSVHHMGBRX-LEHBWIKQSA-N 446.978 7.891 10 40 IKCB C[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 219963791 JFLJUAYCGRCPBG-PKTZIBPZSA-N 433.640 5.790 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 222963431 GMEZPMAWOOFOPK-DQEYMECFSA-N 432.637 5.824 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 223521003 PFDLKRXXACHREB-QRVIBDJDSA-N 447.554 5.637 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 408985545 KZLGQTAZYVNFTO-MTJSOVHGSA-N 447.922 5.031 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c4ccccc34)SC2=S)cc1Cl 409330013 IWRXHUNPLPWJLB-RGVLZGJSSA-N 441.961 5.916 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 8437490 QNOARLUFBYUEMS-PCLIKHOPSA-N 439.515 5.127 10 40 IKCB CCN1/C(=C/C=C2/SC(=S)N(c3ccccc3)C2=O)Sc2c1ccc1ccccc21 13476543 PYPDEYFZGSHCHU-SXDNLVMGSA-N 446.622 6.562 10 40 IKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 16160938 SJLJVLSSJWDGOI-BOPFTXTBSA-N 441.270 5.758 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 16678596 WZFAPUDZFXXWRT-UHFFFAOYSA-N 441.575 6.891 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 222862239 OVKVSWIAFFBOTG-VXKWHMMOSA-N 441.044 5.749 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222880523 KSYBSAWPDKKONL-ILBGXUMGSA-N 432.637 5.797 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1OC 408762467 KMWUOZZBSHDYQV-QGOAFFKASA-N 433.891 5.534 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C(=O)O)cc2)cc1 408781079 RHJFTDDAJXEEQE-XSFVSMFZSA-N 426.428 5.073 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)c1C 408880422 IXWUKFMYFHHFJD-RCCKNPSSSA-N 444.918 5.214 10 40 IKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@@H]21 409160092 XJECVCDLHIOSPC-ZYLNGJIFSA-N 437.530 7.824 10 40 IKCB O=C1c2ccccc2C(=O)[C@@H]2[C@H]1[C@H](c1ccccc1)N(c1ccccc1)[C@H]2c1ccccc1 4822483 FPPDSNPJQKKTIP-PUHABZHSSA-N 429.519 6.301 10 40 IKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 9311249 SHLQGGGRVKMGQH-RELWKKBWSA-N 428.963 6.658 10 40 IKCB CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(N)=O)cc2)o1 9833616 BPQYKEGZNMGRLT-ODLFYWEKSA-N 440.286 5.158 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C1CCCCC1 16429436 CSTAOLMAVXWWKV-PDGQHHTCSA-N 448.407 6.243 10 40 IKCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)cc1OC 33709329 KNGWUHZAKWELPJ-FAPYRAKZSA-N 444.984 6.225 10 40 IKCB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 58849837 JCSBMDTVEMXZNB-YZUZCNPQSA-N 446.528 5.012 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409217305 OWBLLDSAMMIEIA-NDENLUEZSA-N 436.514 5.565 10 40 IKCB CCOC(=O)c1ccc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)cc1 409336842 WKLNWGQFOOBPFM-QFIPXVFZSA-N 443.459 5.227 10 40 IKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 2070647 RKNHSBASHMIAOU-AQTBWJFISA-N 447.423 5.701 10 40 IKCB CCCN(CC[C@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 3999352 XZMRTMSMRYDEJS-NDEPHWFRSA-N 438.656 5.890 10 40 IKCB biogenic CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1 33532521 SALAHNMMZDAXSC-STJRUAKNSA-N 445.470 5.142 10 40 IKCB O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830572 YFGCGKGPTYXHIV-XSFVSMFZSA-N 434.498 5.793 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 215141495 POCUVDHEYPBXTG-RGVLZGJSSA-N 430.932 5.624 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3I)cc2)C1 260466348 RBSSAUXJOJLJQJ-JKSUJKDBSA-N 448.348 5.019 10 40 IKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4SC[C@H](CC)N43)c2C)cc1 260781625 UDGOQJBMROSJDX-BUUDZMLXSA-N 430.621 6.031 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12 408935720 DMYISFQIMUVFMU-XIEYBQDHSA-N 446.506 5.861 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 409153369 HVOWVHLYWOCWMW-IIYDPXPESA-N 428.679 6.948 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1cccc([N+](=O)[O-])c1 409204067 ADVPKSGYUQYCIO-PCLIKHOPSA-N 435.483 6.221 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3cc(-c4ccccc4)ccc3OC)C2=O)ccc1O 1093656 OXNRACRRLHPVFU-XKZIYDEJSA-N 449.553 5.482 10 40 IKCB CCOc1ccc(N2COc3c(cc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C)C2)cc1 2123168 WCFNMIXRZJHIQL-UHFFFAOYSA-N 443.499 5.532 10 40 IKCB biogenic O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C\c1ccc(Cl)cc1 2309854 IWENOSXOJHQCHT-JWGURIENSA-N 433.964 5.286 10 40 IKCB CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 9456800 HMZIREAXIRDXHK-DRAMHWHOSA-N 437.544 5.289 10 40 IKCB O=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC(=S)N1c1ccccc1 20324602 YZSYDJSAQAKYSP-PDGQHHTCSA-N 444.002 6.631 10 40 IKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 102712664 CRBAGAYXTWLVSR-WDEBQMKVSA-N 441.402 6.835 10 40 IKCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260616389 JXUDNXRHARNZMH-YJLYGGOZSA-N 429.004 5.920 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 408902365 NGJMDPXXPUWHTC-JJIBRWJFSA-N 446.641 6.843 10 40 IKCB O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 409348151 RTSKMWVMVKKQHS-MLPAPPSSSA-N 435.184 6.706 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl 6878779 BEBLRXIAFOQRIS-IUXPMGMMSA-N 440.373 5.412 10 40 IKCB CCc1c(Nc2ccccc2C(=O)c2ccccc2)nc2ccccc2c1-c1ccccc1 8426536 RAOJRCWPPZZEDK-UHFFFAOYSA-N 428.535 7.439 10 40 IKCB CCN(CC)c1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1 9713041 WPJZAVXPPYRFKC-RGEXLXHISA-N 426.973 5.051 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc5ccccc5c4)ccc3o2)cc1 16678604 QJCFZVKCPVJTTM-UHFFFAOYSA-N 435.527 6.747 10 40 IKCB CN1CCN([C@@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 19367190 GEJZABYVUPBRRP-VWLOTQADSA-N 437.672 5.390 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)N1CCOCC1)c(O)c1ccccc12 21539882 CYCUGYXZROHKEM-DEOSSOPVSA-N 445.515 5.198 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1C 58846509 WUGHBLNTSGXUPF-PPJWLVRDSA-N 430.573 5.931 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(O)cc1 224167273 FAQHOVBRQSMSFX-JWQCQUIFSA-N 440.572 5.372 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2F)cc1 408759379 DCDQAIGNXHYPTM-JJIBRWJFSA-N 429.495 5.125 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCC 409327056 HEOMAFYJOQNMDO-RCCKNPSSSA-N 427.591 5.666 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC 409338746 ABIZEBQVLSYMMM-OQLLNIDSSA-N 426.346 5.416 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCc1ccccc1Cl 2668049 KFEUBCIDYJIJKB-ODLFYWEKSA-N 433.982 5.537 10 40 IKCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccccc5)o4)S3)CC2)cc1 6154196 GTOJDRPGXUKMFR-HAVVHWLPSA-N 429.545 5.048 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)SC2=S)cc1 35040677 DXSLRYAFZPCBKZ-XMHGGMMESA-N 443.590 5.461 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc([C@H](C)CC)cc4)c3C)C(=O)N=C2S1 41108471 DPUMEYGLQJFMJI-MUJXNBKYSA-N 447.608 6.027 10 40 IKCB CCN(CC)Cc1cc(C)c(O)c(/N=N\c2ccc3c4c(cccc24)-c2ccccc2-3)c1C 104202401 DNGJPICSACXGJQ-KTMFPKCZSA-N 435.571 8.067 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1O 224167170 VKPGTMZADCGZHG-LOSJGSFVSA-N 440.572 5.372 10 40 IKCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=O)c1ccccc1 408527171 CXAZRVMNUDJUGN-UQQQWYQISA-N 439.559 5.191 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408854721 BQYATZINZKQQDH-CIAFOILYSA-N 433.895 5.252 10 40 IKCB COc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1OC 2121113 ORLPRBRHNPWERC-UHFFFAOYSA-N 443.499 5.066 10 40 IKCB biogenic O=C1N=C(O)/C(=C/c2cccn2Cc2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 2259989 QXHAMRPETIELEC-HAHDFKILSA-N 439.446 5.335 10 40 IKCB Cc1ccc(Nc2cc3c(nnn3-c3cccc(C)c3)c3c2C(=O)c2ccccc2C3=O)cc1 8818384 RDGBMWXZTLAFGC-UHFFFAOYSA-N 444.494 5.556 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1 8821265 FTYGQSIHIZMQOJ-JLPGSUDCSA-N 445.609 6.542 10 40 IKCB CCCCOc1ccc(NCc2c(O)ccc3c(C)c(Cc4ccccc4)c(=O)oc23)cc1 8915102 POCSELGLXFTABY-UHFFFAOYSA-N 443.543 6.189 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 9210261 RKEFUOAANGMJBQ-LCQIMXFNSA-N 446.919 5.462 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 13547611 XWMVGOJGEGELAN-HAHDFKILSA-N 431.582 5.975 10 40 IKCB C/C(Nc1ccc(F)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17095841 HCAFYTIRECEUBV-QNGOZBTKSA-N 428.492 5.572 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12 30976739 JYESIIJEEQEHPO-PCHQCWAOSA-N 444.541 5.457 10 40 IKCB Cc1ccccc1C1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)N=C2S1 41108062 NKDHHWHKXMQZPI-NREDLREFSA-N 445.935 5.107 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3C)C(=O)N(c3cccc4ccccc34)C2=O)c1 59484872 DBPPAGDAEZPGBE-XIEYBQDHSA-N 446.506 6.040 10 40 IKCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1 100525451 UIRCWNMDXGEWQD-DUPNKOKHSA-N 440.872 5.247 10 40 IKCB Cc1cccc(Nc2cc(NCc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)c1 100574248 VLEVDRBVAFVSFI-UHFFFAOYSA-N 431.495 6.703 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)S2)cc1 208312646 OOMJDTRSJDUXQB-XMSCMFJESA-N 433.621 6.444 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1 260569409 QCPIVUZXFBHZHP-DEYGKZMTSA-N 445.607 5.897 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1C 408884236 XJRLPIRLTTWNBG-PXLXIMEGSA-N 444.918 5.214 10 40 IKCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408895290 DRIUEALYBJONGZ-FSTGKYBXSA-N 442.515 5.300 10 40 IKCB O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc(Br)c1 409194917 FSVDKQPDEJHSSK-RIYZIHGNSA-N 444.297 5.874 10 40 IKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c(C)c1 924773 KFNPVQVOCZNSAL-UHFFFAOYSA-N 435.524 5.678 10 40 IKCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2O)c1 2252161 FKXPDAOUXDUNNI-ZVHZXABRSA-N 441.531 5.199 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccccc1 2321612 ZFWKJNOJPFOTCQ-PDGQHHTCSA-N 442.359 6.115 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O 3768728 SOELIEWRXGWGTF-LFVJCYFKSA-N 447.625 7.041 10 40 IKCB CCOC(=O)c1cc(N/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C)ccc1Cl 8430622 ZBTPHTNWEZSKFG-ZHZULCJRSA-N 433.895 5.388 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1CCc1ccccc1 9188657 PTTSBHQCLRMGLZ-QJOMJCCJSA-N 431.582 5.710 10 40 IKCB CCOc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)SC1=S 9635917 TXLLITLONKUBMR-HAHDFKILSA-N 448.613 6.207 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 18173628 MRESIZYIMNGHKT-SXWKCWPCSA-N 430.891 6.306 10 40 IKCB CCN(CC)c1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)c2ccccn2)cc1 28290677 KVLPFMMBEQVTKE-UHFFFAOYSA-N 431.580 5.810 10 40 IKCB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 58845678 QSMREFDBNRYOGA-BPYKYCOYSA-N 434.536 5.761 10 40 IKCB COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1ccc([N+](=O)[O-])cc1 70453910 QGUJCRCCBPPHLX-UHFFFAOYSA-N 427.460 5.872 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3c(F)cccc3Cl)cc2)C1 260466219 INIWEZKKWNDJGP-DLBZAZTESA-N 435.008 5.826 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Cl)c1O 408904098 DQWFKTDGPMCJFT-NTEUORMPSA-N 435.705 5.013 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)cc1 409380554 NKLTVWQPUNQNGU-OMCISZLKSA-N 448.352 5.814 10 40 IKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1C 1896272 PUEGXFICSTZERE-UHFFFAOYSA-N 435.618 6.308 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c(Cl)cc1OC(C)C 13915332 REGQFAXIOMNLBZ-GIJQJNRQSA-N 437.945 5.681 10 40 IKCB Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@@H]32)c1 20033552 YVIFCSCQCFPNQE-WCYRKSIYSA-N 444.600 6.239 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)S2)cc1 35131831 KGJQHNHRVSTMJJ-STZFKDTASA-N 425.529 5.215 10 40 IKCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1 41083531 BJTBUAJFOKDNGM-FZAWDKCWSA-N 445.573 5.187 10 40 IKCB C/C(Nc1ccccc1Cl)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103920882 XQPPDLXCRXIHCF-QNGOZBTKSA-N 432.867 5.385 10 40 IKCB NC(=S)n1nc(-c2ccccc2)c(/N=N\c2cccc([N+](=O)[O-])c2)c1-c1ccccc1 104115291 RSLXOBKJXMSGHP-IZHYLOQSSA-N 428.477 5.632 10 40 IKCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144204321 HINXCYBNNOGBIU-MTJSOVHGSA-N 438.936 5.997 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222969660 CEETWIJNBKDDCX-DQEYMECFSA-N 432.637 5.879 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225014309 CKVJZCVOSKYVBS-LOSJGSFVSA-N 430.621 5.713 10 40 IKCB CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 260567369 KVZZZKBGMQGYOL-NLKUQUHMSA-N 434.605 6.424 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 408766119 ZNAYUVYMOMSQMA-FYJGNVAPSA-N 436.870 5.331 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409016922 BLKNKEJEXRREIJ-BWAHOGKJSA-N 439.511 5.533 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)nc1 409142863 BRERQOMSGFPNEN-PXLXIMEGSA-N 431.561 5.467 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(Br)cc1O 409329484 GLIKGRNQQDFALN-CXUHLZMHSA-N 442.400 5.087 10 40 IKCB COc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1 6283034 ZELWJWCRSJGNMC-UHFFFAOYSA-N 437.496 5.070 10 40 IKCB Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(C)c1 9444573 JNWQBMKIMRUQJS-LDADJPATSA-N 430.982 5.187 10 40 IKCB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 12955330 WQZPQBHSWAOBAP-UHFFFAOYSA-N 446.579 7.199 10 40 IKCB CCOC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCc1sccc1-3 13282847 IZNNDVUEMDDIRU-UHFFFAOYSA-N 440.977 6.203 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)N21 222700094 DYUQYWLLJGAXCP-SXSPYAJSSA-N 446.576 5.167 10 40 IKCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1 223104854 VKMBHDFUDVGLEW-RPBOFIJWSA-N 445.636 5.498 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl 408738342 KDJNKXCEGOSXDU-SFQUDFHCSA-N 426.730 7.118 10 40 IKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408741265 HVSPYPQTPSCCKZ-UKTHLTGXSA-N 428.227 6.143 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 408786887 OXSHXWLWVLOHOA-OQKWZONESA-N 438.527 6.672 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 409018964 ZTEDRGGAPKMLOJ-DHDCSXOGSA-N 436.722 5.832 10 40 IKCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)c(Cl)c1 409145117 MQHOMUMQPOKOKM-WOJGMQOQSA-N 430.982 5.318 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)SC1=S 409345300 KXXRQPNOEJWKAF-KGENOOAVSA-N 427.591 5.584 10 40 IKCB CCCCc1cc(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c(O)c(Cl)cc12 524730237 AOENXCFCECBJAP-PGRDOPGGSA-N 447.019 5.191 10 40 IKCB biogenic Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2)cc1 9188605 NPKGSDWVOSWKOX-IWIPYMOSSA-N 445.609 6.597 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4c(C)cc(C)cc4C)C3=O)n2)cc1 13940648 CJSAZQSUFMDDMC-WHEOYJBGSA-N 433.537 5.619 10 40 IKCB CCCc1nn2c(/C=C3/C(=O)N(c4ccccc4)N=C3C)c(-c3ccc(C)cc3)nc2s1 41074171 KSOHYWMYNQGLOF-HMMYKYKNSA-N 441.560 5.525 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)C1 44854962 IDJCCCMYSQLHIC-NHCUHLMSSA-N 437.603 5.151 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(O)cc1 224167424 FAQHOVBRQSMSFX-DQEYMECFSA-N 440.572 5.372 10 40 IKCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(C)c3C)C1=O)[C@H](C)CC(C)(C)N2C 260572621 XLUOAMHMIONCAQ-VYVDHXHBSA-N 445.563 5.000 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)C1 260577645 IDJCCCMYSQLHIC-SFTDATJTSA-N 437.603 5.151 10 40 IKCB Cc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S 2381781 IASULAINUXJMIE-JXAWBTAJSA-N 430.620 5.457 10 40 IKCB Cc1cc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)no1 8820184 YIWNJUHDFKKQOB-VBKFSLOCSA-N 449.985 5.037 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 14009144 ZAFFGFCXFAGKTE-JLPGSUDCSA-N 432.564 5.408 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21 58928771 CNLHICBEXBFDHY-LIBAHTEVSA-N 439.136 6.281 10 40 IKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCc3ccccc3Cl)cc1)[C@H]1CC=C[C@@H]21 59401642 HLYGBPACPVDOPT-UFPGJGBJSA-N 445.946 6.752 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 222770529 JBLBHNZIQDQURV-SFTDATJTSA-N 444.526 5.500 10 40 IKCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408806864 CAWQOLGSBVXPNL-MTJSOVHGSA-N 438.936 5.650 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCC 409085062 YFTSYQRKQHBDPT-QNGOZBTKSA-N 446.934 5.972 10 40 IKCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 409132240 ZSFUUDKATGYCKY-STZFKDTASA-N 448.931 5.319 10 40 IKCB Cc1c(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1C 409352776 YSIKQWDBPMEDJO-WQRHYEAKSA-N 443.391 5.655 10 40 IKCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1Cl 8820422 CQAPJNWPJSLXGR-YKYHQJSKSA-N 428.966 5.126 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c(C)c1 9310275 IQVFBAYYJXJLJI-UDWIEESQSA-N 436.514 5.877 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1O 9763584 HCNQYPDQPAPFQN-JCMHNJIXSA-N 449.553 5.989 10 40 IKCB COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)ccc1O 13564582 DTTXISQANLXPKE-KBEAHSEHSA-N 440.543 5.998 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(C)cc1 17086120 YESYBLRAAUHMSE-LFVJCYFKSA-N 426.516 5.779 10 40 IKCB Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 58851077 IDEBGLWSNVEBEC-GPHJXTMHSA-N 429.572 7.236 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)cc21 208471453 MLOMAIATOJVGNI-NHDPSOOVSA-N 437.996 6.363 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1O 223098447 WYLROHGWWMZNCF-RPBOFIJWSA-N 446.620 5.500 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(F)cc1 225015263 VSKZGSZGNAQOTG-DNQXCXABSA-N 434.584 5.543 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225018950 ONOUHUKRURQPNN-FTJBHMTQSA-N 444.648 6.021 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260737592 MBGSLOHAHQYIDZ-ZWKOTPCHSA-N 425.598 5.147 10 40 IKCB CCOc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 408986255 PDIAGCAOHONZKK-XMHGGMMESA-N 436.338 6.863 10 40 IKCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)CC)C3=O)c2C)c1 409009924 ANEHAJWAOOSYKU-GNUZOCDUSA-N 426.538 5.106 10 40 IKCB O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc(Br)c1 409204238 CYHKRVQVWPCCCD-ZSOIEALJSA-N 444.297 5.874 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccccc1)c1c(C)nn(-c2ccccc2)c1O 16249344 PSFJDPBSUSQRHP-IZHYLOQSSA-N 434.499 5.111 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc([N+](=O)[O-])cc3)N4)sc2c1 58851194 UYSJGDOQXFOECT-RNHFSVANSA-N 439.540 7.006 10 40 IKCB C/C(Nc1ccccc1Cl)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 103920875 YZHGUMMYFGJEMU-QNGOZBTKSA-N 444.947 6.087 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc2C(C)=CC1(C)C 208525617 PVLZHALXEQZXPS-UCQKPKSFSA-N 431.605 6.408 10 40 IKCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O 223581966 IECDAROZXRSRDU-BXRKRMDBSA-N 444.597 5.095 10 40 IKCB CCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 408527276 BQORJMPLHJEOON-NKFKGCMQSA-N 426.516 5.709 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Cl)cc2)N1c1ccccc1 408764282 STDBHGXBWKVPFW-UDWIEESQSA-N 427.718 6.481 10 40 IKCB CCn1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 409326872 FQRAJEPIRCUWHD-GIJQJNRQSA-N 433.385 6.374 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(F)F 409343728 IRXYHLYLSVQWTB-OQLLNIDSSA-N 427.881 5.356 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(Br)c1 409367102 FEGRGAZXXIJGJV-WQRHYEAKSA-N 444.350 5.048 10 40 IKCB COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2 2754073 DAPUUHYIPNHVQJ-SJORKVTESA-N 449.613 5.584 10 40 IKCB CCN(CC)CCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 4726533 UGQUKIBVEBEAQH-UHFFFAOYSA-N 442.047 7.144 10 40 IKCB CCCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 17099134 WOBGXGNKUMWZGJ-PGMHBOJBSA-N 434.565 5.110 10 40 IKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cc([N+](=O)[O-])ccc2C)cc1 19635893 BCGYLECXECPKIS-QJOMJCCJSA-N 442.475 5.049 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21 208441261 KFYSYTZOAPVZOI-MTJSOVHGSA-N 438.980 6.208 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)N21 222699677 AKFNTNQDERCJSM-YFXJRYMSSA-N 446.576 5.167 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222964899 DIACPPVACDFESU-XZOQPEGZSA-N 439.028 5.915 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 222972396 RNCCSMHDFKUWEQ-AZGAKELHSA-N 446.664 6.133 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223094511 ZLIXWXLEUUZJDC-CLJLJLNGSA-N 444.648 6.103 10 40 IKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408743415 TVGMPIJAKMORMO-CPNJWEJPSA-N 433.847 5.809 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 409007747 RDUFRBWELFSQRJ-JCMHNJIXSA-N 436.964 6.027 10 40 IKCB CCn1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 409330320 LAHANRCOGJFRAO-VCHYOVAHSA-N 432.492 6.086 10 40 IKCB COc1ccc(NC(=O)c2c(NCc3ccccn3)sc3c2CC[C@H](C)C3)c(OC)c1 798220 YCCDOUZBZQDSCM-HNNXBMFYSA-N 437.565 5.150 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1cccc(F)c1 13602663 YCQVGLDANOECHF-WQRHYEAKSA-N 426.450 5.400 10 40 IKCB Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)c1 19791548 FGHLSHCVMZJNMM-HNNXBMFYSA-N 447.453 5.993 10 40 IKCB biogenic Cc1ccc(/N=N\c2ccc(O)c(/N=N\c3ccc(S(=O)(=O)O)cc3)c2O)c(C)c1 100471414 GVDFNLGUMKHGRD-QGXHWJRTSA-N 426.454 5.792 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(Cl)cc1Cl 108276444 BMUXBCQVKGKLBI-UNOMPAQXSA-N 438.310 6.024 10 40 IKCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O 208305566 YCXWMISKLUHFBN-LBSLPOPVSA-N 445.563 5.028 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)C1 218000347 IFSHFHMTUAZVRV-FGZHOGPDSA-N 444.644 6.706 10 40 IKCB Cc1cc2c(cc1/C=c1\sc3nc4ccccc4n3c1=O)[C@H](C)CC(C)(C)N2C(C)C 223605211 DKLKLRYNMZSJEG-SUVVMJBMSA-N 431.605 5.266 10 40 IKCB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c1 224233351 UXGVFKOEGQWFCM-FTJBHMTQSA-N 438.600 5.975 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408936016 FMWLJHFHEFPYKG-HZHRSRAPSA-N 430.891 5.361 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S 409220037 XPWSKEYSVFOARG-UNOMPAQXSA-N 449.513 5.496 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1Br 409340356 VTCKXNRERSNLND-GZTJUZNOSA-N 434.380 5.562 10 40 IKCB S=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2ccccc2)CC1 1303234 OGMXUGCOJUNDCA-UHFFFAOYSA-N 427.367 5.207 10 40 IKCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12 2348978 CZPVXVSAEPOXQI-ZHZULCJRSA-N 441.874 5.155 10 40 IKCB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1 9291001 NNKLAOPXKSGTAO-ISOCJEKQSA-N 432.336 5.040 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCCOc1ccccc1 13897007 IMIAVEGYADITRV-MOHJPFBDSA-N 442.515 5.349 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3cccn3-c3cc(Cl)cc(Cl)c3)C(=O)N=C2S1 41082925 GYJBXWYCAMLLBO-BWFWVIOXSA-N 446.363 5.449 10 40 IKCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(Br)c2ccccc12 103657902 VXURGPPVMYFNOO-UYRXBGFRSA-N 434.337 5.938 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 222881475 RITGKMNDZIXQJC-PKTZIBPZSA-N 439.028 5.833 10 40 IKCB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1C 224285481 HKKLHOSDHKERKM-UIOOFZCWSA-N 438.600 5.975 10 40 IKCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1 408738944 QKGGLVLDECZHMV-HMMYKYKNSA-N 446.344 6.319 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408986604 REZLIIUWDACTQJ-XDJHFCHBSA-N 446.890 6.118 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 640817 UHQDJRULVUPMAE-XDHOZWIPSA-N 439.298 5.034 10 40 IKCB CCCCN1C(=O)/C(=C/C=C2\N(C)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S 4045342 BKXAFGRRYFFWCA-VMTNTFKOSA-N 448.657 6.509 10 40 IKCB CC(C)(C)c1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(C(C)(C)C)c1O 9188432 MRJOQSLSXGNMOA-ZHZULCJRSA-N 439.646 6.389 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 17136163 FVJACXNWSPLCFK-KQWNVCNZSA-N 447.581 6.070 10 40 IKCB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)c1 102469885 KYBYJRLEZFLCQG-KGENOOAVSA-N 449.601 5.548 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)SC2=S)cc1 409331855 OWMJQTAVNUAQNW-LFVJCYFKSA-N 440.593 6.465 10 40 IKCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc2ccccc12 409350222 QXEGQQKPRHOZCR-WOJGMQOQSA-N 426.906 5.807 10 40 IKCB COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 1835495 GTZCWGKXUVQDNJ-QNGOZBTKSA-N 449.601 5.085 10 40 IKCB CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 17094841 LNNYSVKRNKXNLM-QJOMJCCJSA-N 426.476 5.294 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)SC1=S 32124874 XUXQCZZZBARRRS-LDADJPATSA-N 430.576 5.666 10 40 IKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 33743547 KGJWQNRYYLLUSN-JAIQZWGSSA-N 448.922 5.763 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2Cl)cc1 408761164 BXPNBYGHCBECTM-JJIBRWJFSA-N 445.950 5.639 10 40 IKCB COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2cccc(C)c2)cc1 408844036 OIBKOZOYYHKCMJ-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409329328 DWESIEVRGIJOSO-BKUYFWCQSA-N 448.525 5.580 10 40 IKCB CCCC[C@H](CC)Cc1ccc(C(=O)C(=O)c2ccc(C[C@H](CC)CCCC)s2)s1 1776011064 WETRHJIPQQMKKF-BGYRXZFFSA-N 446.722 8.393 10 40 IKCB O=C1N=C(NCc2ccccc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 851128 FYANTEODNSPILX-UNOMPAQXSA-N 439.334 5.469 10 40 IKCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1 9309721 WMYYOUKZCMGHBI-AMWUQPRHSA-N 437.594 5.041 10 40 IKCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)no2)cc1F 27744903 SYEQFMDZPFZSRY-UHFFFAOYSA-N 433.483 5.291 10 40 IKCB C#CCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Br 34766731 MXQQCUDWCFHYLB-BOPFTXTBSA-N 447.741 5.197 10 40 IKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 44847170 NAUPKZKSHYHMSS-UHFFFAOYSA-N 439.603 5.560 10 40 IKCB Fc1cccc(Cl)c1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 58850932 XGJCZXJLCDGPBI-FTLABTOESA-N 425.672 5.910 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O 223558653 PCMATBAKCDYIGK-ALDSOSFCSA-N 445.563 5.162 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1 224601015 HFQWUCWEHRNJRY-LOSJGSFVSA-N 440.572 5.372 10 40 IKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1 408739698 ZPGOOLDECYQANY-QGOAFFKASA-N 447.288 5.829 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 409018743 YYBCKBMBEXWQGW-MFKUBSTISA-N 439.490 5.479 10 40 IKCB CC(C)CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC1=S 409046911 LJYVOWALUVCVIK-ODLFYWEKSA-N 428.535 5.031 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC 409349945 WOTOCCHQCXFSFY-PDGQHHTCSA-N 449.981 5.552 10 40 IKCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 1446653 GNZLZGGQMDWHPK-BKUYFWCQSA-N 433.602 5.705 10 40 IKCB C[C@@H]1CN(c2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)C[C@@H](C)O1 2228382 KRQSVIUCVJBJCB-HZPDHXFCSA-N 425.488 5.396 10 40 IKCB Cc1cccc(Nc2cc3c(nnn3-c3ccccc3)c3c2C(=O)c2ccccc2C3=O)c1 9090093 NSAYNUVSHZCXLW-UHFFFAOYSA-N 430.467 5.248 10 40 IKCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 33305978 KXMVCSXYJYNFBH-XNTDXEJSSA-N 433.678 5.368 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225656140 YNWAPMCMAAEFKM-SFHVURJKSA-N 425.598 5.147 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccccc3SCc3ccccc3)cc2)C1 260453403 OEQHWTBMNZWZLS-VXKWHMMOSA-N 444.644 6.706 10 40 IKCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C1CCCC1 408766994 HRTKKAWBTUSQDW-LICLKQGHSA-N 446.334 5.193 10 40 IKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)C1=O 409016322 TVWMKPNIHQIUFI-KECVIQKOSA-N 432.929 5.281 10 40 IKCB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O 409145585 QZQCRRGXISZVRL-WQRHYEAKSA-N 447.398 5.920 10 40 IKCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 409231643 DRNLLFUFUZJVPG-HYARGMPZSA-N 435.911 5.244 10 40 IKCB COc1ccc(N(CSc2ccc(Cl)cc2)CSc2ccc(Cl)cc2)cc1 1575406 UPHJDHFFBCOOGC-UHFFFAOYSA-N 436.429 7.308 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1 8821307 NBXJNDCLZYPJMJ-JLPGSUDCSA-N 445.609 6.542 10 40 IKCB Cc1cc(C(=O)COC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc2c(c1)OCO2 13148394 BAVLLZDVNMOAHW-UHFFFAOYSA-N 427.456 5.016 10 40 IKCB CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 26680995 DPUJFRJDYWASKS-NOEYKIMYSA-N 427.591 5.489 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl 58822038 MRQZGZLZOIWAGI-KGENOOAVSA-N 437.326 6.379 10 40 IKCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(Br)c2ccccc12 106693922 ONEKEPLIPTWGID-ZDLGFXPLSA-N 427.323 5.334 10 40 IKCB CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 223253254 LKDWBSDKZSSLGN-UHFFFAOYSA-N 429.350 5.316 10 40 IKCB O=C1NC(=S)S/C1=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 408532303 UAVGTADPOQTWKA-GRSHGNNSSA-N 446.380 6.214 10 40 IKCB O=C1/C(=C\c2ccco2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 408757293 YEKJUYHGQIXHKU-LDADJPATSA-N 427.685 5.530 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC 409350310 XLJUCQQCAIKNPI-OVCLIPMQSA-N 426.346 5.416 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1Br 14406355 PGUIAAHDXZJXNP-MOSHPQCFSA-N 433.301 6.106 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3Cc3cccc(C)c3)C(=O)N=C2O)cc1 17112265 CXUKZOZNGRYCOE-JWGRYVKWSA-N 441.531 5.229 10 40 IKCB O=c1c(Oc2ccccc2Cl)c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc12 19793016 VSVFXMUBDWVHEC-UHFFFAOYSA-N 439.817 5.559 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccccc1 33457405 AROKCXCMQAHXRN-MPZUNYIRSA-N 445.573 5.018 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1 103918806 JFJVLOYACQNVBM-UNOMPAQXSA-N 433.295 5.790 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(F)cc1 223096746 FMOYTWQTKSZMLA-LOSJGSFVSA-N 448.611 5.933 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1Cl 408865459 CNUVFXZVAKSMKJ-FYJGNVAPSA-N 448.881 5.045 10 40 IKCB COc1ccc(Oc2ccc(-n3c(C)ccc3-c3ccc(Br)cc3)cc2)cc1 408968495 ZRDAXADTTGOTNR-UHFFFAOYSA-N 434.333 7.016 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1cccc(Cl)c1 2062287 CMXVJAUHHHWJQM-WOJGMQOQSA-N 432.353 6.659 10 40 IKCB COc1ccc(CCN2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1OC 2673038 OPGCJFPSEMZDJG-RCCKNPSSSA-N 441.618 5.445 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 3768804 MDAFNNBLJAHSBD-HTMJNSLASA-N 448.407 6.032 10 40 IKCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 6508273 ZRQPVGJNZIISPD-JLPGSUDCSA-N 436.467 5.058 10 40 IKCB CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(C)ccc3N21 9234776 MACIXIUGBSDKLL-GSDHBNRESA-N 433.507 5.017 10 40 IKCB CC(C)(C)c1cc([C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(O)c(C(C)(C)C)c1 31771973 FAKVDARGWOYRLZ-HSZRJFAPSA-N 425.569 5.138 10 40 IKCB CCc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(CC)C2=O)cc1 33391804 BVASYEMJWYILKM-PGMHBOJBSA-N 427.591 5.318 10 40 IKCB Cc1ccc([N+](=O)[O-])cc1/N=N/c1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc12 38611068 NWDMDFAMCIHORB-BYYHNAKLSA-N 440.459 6.738 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc(Cl)c3)C(=O)N=C2S1 41083026 VOPBHONBHQBYMY-JSIBOBQWSA-N 425.945 5.330 10 40 IKCB O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 68266973 RLDGTBLMSZVZNE-ZSOIEALJSA-N 426.744 5.214 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C 103919151 VCUZUWCESWXRAZ-ZHZULCJRSA-N 435.509 5.402 10 40 IKCB O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1cccc(Cl)c1 113837660 XSCPJWCKNYPSKW-LHHJGKSTSA-N 445.736 5.961 10 40 IKCB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222921829 OOUWBKCZBRBBCN-DNQXCXABSA-N 434.609 5.126 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccn1 224392225 NFUUQZXLZJMQBZ-BJKOFHAPSA-N 443.551 5.200 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 8821403 MBEFVWJJJGVNOD-DEDYPNTBSA-N 425.962 6.568 10 40 IKCB N=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 9158347 KIEFYDMMMNPBHL-NDQRNUBQSA-N 449.894 6.043 10 40 IKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc(Cl)c(Cl)c1 12428923 CFHGESWLGSMTPF-VIZOYTHASA-N 440.333 5.172 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 13894152 GFNRTRFRTLNLDF-ZTHFNACSSA-N 449.492 5.054 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 18173590 ZECGSTGJDMTRMU-MIZPHKNDSA-N 430.891 6.306 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)SC1=S 33748248 RBIKZJWPBAQJTR-ZDLGFXPLSA-N 437.945 5.288 10 40 IKCB C=CCOc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)C(C)=C2C(=O)OC)cc1 33778610 PUSATYMTTFIDKA-QJOMJCCJSA-N 425.484 5.282 10 40 IKCB COc1ccc(-c2cc3ccc(O)c(CN4CCCC[C@@H]4c4cccnc4)c3oc2=O)cc1 36584548 IJXJLSYYFJGVIV-XMMPIXPASA-N 442.515 5.296 10 40 IKCB biogenic COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Cc1ccccc1 59139130 HQBCREPSXVMIBI-XDJHFCHBSA-N 446.503 5.097 10 40 IKCB CCCC(=O)Oc1c(-c2cccc([N+](=O)[O-])c2)c2nc3ccccc3nc2c2ccccc12 59428054 LJLHMZJTBBYFQE-UHFFFAOYSA-N 437.455 6.217 10 40 IKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2cccc(Cl)c2)o1 408742496 PHLYQKJBFQTSSS-RVDMUPIBSA-N 427.681 6.344 10 40 IKCB O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1 408970763 DIAXOIOLMDMBAH-JCMHNJIXSA-N 445.444 6.038 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2sc3ccccc3c2Cl)cc1 408997774 SUOQVIHHRJUCPM-XMHGGMMESA-N 448.931 6.381 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1Cl 409330258 KHPSWEPBARJULV-CHHVJCJISA-N 441.317 5.316 10 40 IKCB Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 1218550 POFGNYWRLHJKKK-ATVHPVEESA-N 430.620 5.293 10 40 IKCB Cc1ccc(NCc2cc(-c3nn(CNc4ccc(C)cc4)c(=S)o3)ccc2O)cc1 3016723 VIRTXEGBLHOLPR-UHFFFAOYSA-N 432.549 5.877 10 40 IKCB Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c(C)c1Cc1ccc(Cl)nc1 8925729 PFXDESBRCCBPQL-UHFFFAOYSA-N 447.995 6.121 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 9259625 HJOHGVPHNSMMCE-ATVHPVEESA-N 438.892 5.059 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1 16678597 FPSAGDOPWZZOCH-UHFFFAOYSA-N 443.547 6.381 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)S2)cc1 33707059 LOCJRSRMXCMUPP-HMAPJEAMSA-N 434.948 6.310 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1 34798264 IWQHEFPJXYAAQM-TUKHXMGSSA-N 445.592 5.602 10 40 IKCB CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N12 103563490 UDRTYLWKFWAPCG-WHJFZTRWSA-N 427.888 5.225 10 40 IKCB CCN1c2cc(C)c(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2C(C)=CC1(C)C 208520819 JTGQGRMMOIHYJN-RGVLZGJSSA-N 442.581 5.005 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225031055 IIWMGDHHQXFFOS-ZEQRLZLVSA-N 432.593 5.104 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(C)cc1 408901875 IFBPAYZIEKGBGE-LPYMAVHISA-N 446.934 6.042 10 40 IKCB CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2ccccc21 409203594 YCHCDSASOZLDMT-CIAFOILYSA-N 433.338 6.513 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(C)C 409332996 UGKUOPHFQNFXHH-CIAFOILYSA-N 427.591 5.753 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC 409338149 DWGZQOYIFHAIMF-GQFJFNLSSA-N 445.631 6.000 10 40 IKCB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(Cl)c(OC)cc1OC)CO3 2123809 OJSHYNHVECUUHI-UHFFFAOYSA-N 429.900 5.081 10 40 IKCB biogenic COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2cccc(Br)c2)cc1 3117895 ZUOSXQVXOMKUSU-UHFFFAOYSA-N 439.353 5.492 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)c(OC)c3)SC2=S)cc1 9232401 XJUKZUYEJROWNW-FYJGNVAPSA-N 443.590 5.535 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)cc1 13775542 SQMMUSGVZZUEGY-UYRXBGFRSA-N 428.554 5.008 10 40 IKCB CCN(CC)c1ccc(CN(C(=O)c2ccc(Br)cc2)c2ccccn2)cc1 28290689 GITRJEKSMHYJAS-UHFFFAOYSA-N 438.369 5.537 10 40 IKCB Cc1cc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)ccc1Cl 33390830 ZPBAUUPNAKYFHZ-UYRXBGFRSA-N 433.982 5.327 10 40 IKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35529708 MTFRUWXRBPHOIQ-WQRHYEAKSA-N 425.853 5.591 10 40 IKCB Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(Br)cc1 58865732 PBLMOFVVOVMACP-UHFFFAOYSA-N 444.325 5.000 10 40 IKCB Nc1ccc(/N=N\c2ccc3cc4ccc(/N=N\c5ccc(N)nc5N)cc4nc3c2)c(N)n1 104230278 RKDJPLAXPITDOD-WANSBIPISA-N 449.482 5.338 10 40 IKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCc2ccc(Cl)cc2)cc1 112294399 GDNNZTQLWPWKFV-KQWNVCNZSA-N 449.913 5.302 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3c(F)cccc3Cl)c12 409147205 VGVQNBSDSSVUGY-GRSHGNNSSA-N 444.984 5.876 10 40 IKCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 409231840 KYVJHQSPNQTHRQ-KOEQRZSOSA-N 442.563 5.033 10 40 IKCB CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2696746 SKHCQVCSQOPQOX-CTFRJJSNSA-N 444.578 6.272 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)C(=O)NC2=S)cc1 9295831 ZIQIAFZHIZZHMR-UJFYRASASA-N 449.359 5.044 10 40 IKCB COc1ccccc1/N=N/c1ccc(NC(=O)COC(=O)/C=C/c2cccc(F)c2)cc1C 12622550 RHEGBFHUCUXHER-MBFQHWLASA-N 447.466 5.753 10 40 IKCB CCCCCN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S 16750546 YOOKUECUNTZICO-ZROIWOOFSA-N 444.803 6.240 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cccc(C)c4C)C(=S)N=C3O)o2)cc1 59137965 UPHXFROWOINFJP-CPNJWEJPSA-N 448.569 6.028 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1 59484895 XDAFGLONLICQKX-JJIBRWJFSA-N 448.478 5.437 10 40 IKCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c1 111426883 VQJZANPXQKBROZ-HYARGMPZSA-N 435.593 5.058 10 40 IKCB CCCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c21 409034727 NXIWPJNUFRDOIO-XSFVSMFZSA-N 425.454 6.017 10 40 IKCB Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c(C)n1-c1ccc(F)cc1 13142031 BMEOXGXIGCFKCR-UHFFFAOYSA-N 442.490 5.310 10 40 IKCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17094845 SNMFZVNASDKPRH-QJOMJCCJSA-N 426.476 5.294 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C 222870735 GRVUQCXBCDRMRR-IZZNHLLZSA-N 440.616 6.025 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(F)c1 223344883 MYJZDWBTZCMVDD-DNQXCXABSA-N 446.551 5.394 10 40 IKCB CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl 225665688 ZEQKZHDEWLQEAC-MRXNPFEDSA-N 446.016 5.555 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408902138 KSNCENXJEUIPEE-FYJGNVAPSA-N 439.005 6.462 10 40 IKCB CCCOc1c(Br)cc(/C=C2/SC(=S)N(CCC)C2=O)cc1OCC 409339402 UZOIHEWMWOIJFD-RVDMUPIBSA-N 444.416 5.248 10 40 IKCB CN(C)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 102928177 ZJLUVKCEHIUFQW-WINIVTDRSA-N 443.978 7.035 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1Br 215097671 RSJVPOUCTVRYSQ-CPNJWEJPSA-N 443.366 5.286 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222969569 MHEGPEGCIWGXKB-ILBGXUMGSA-N 432.637 5.879 10 40 IKCB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408646115 SZYCOZTZMGIGHF-IBGZPJMESA-N 440.474 5.763 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S 409334285 WPFJFNOMVXJDJA-DEDYPNTBSA-N 435.530 5.159 10 40 IKCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 12274901 RQTWZWGQENEVSP-QAEAHILHSA-N 435.954 5.445 10 40 IKCB CSC(=S)n1nc(-c2cccs2)c(/N=N/c2ccc(Cl)cc2)c1C(F)(F)F 17141404 XWAHNYPYTSZEFU-QURGRASLSA-N 446.932 7.195 10 40 IKCB O=C1/C(=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)SC(=S)N1C[C@H]1CCCO1 27061412 AEGRPEZBLVBOQF-HXJKNVDSSA-N 435.570 5.127 10 40 IKCB C[C@@H](NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2 110493821 ZUDWFZUHOPRPLS-LBFXOSJBSA-N 448.567 5.266 10 40 IKCB COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OCc1ccc(Cl)cc1Cl 113830933 QPFZLINXAFFLAJ-LZYBPNLTSA-N 440.373 5.412 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)CC1 219688112 KVDQUWPIFUEWLM-ZWKOTPCHSA-N 445.401 5.330 10 40 IKCB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl 408586804 RCRURKQFYARQKC-UHFFFAOYSA-N 436.316 5.034 10 40 IKCB Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)C(=O)O3)ccc2c1 408754742 HVZWBPHSALXOFR-ONUIUJJFSA-N 448.566 6.603 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 408763639 QAKFRYGTDAAXHK-DEDYPNTBSA-N 427.718 6.481 10 40 IKCB CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)C(=O)N(c2ccccc2)C1=S 409023537 YFYACQWQZRTMNQ-OQKWZONESA-N 444.556 5.192 10 40 IKCB CCCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 409079206 KMJZUHGZOKTNAZ-QNGOZBTKSA-N 446.934 5.972 10 40 IKCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1-c1ccc(Cl)cc1 409080966 OTAJULNNZKUJOE-STZFKDTASA-N 428.001 5.480 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 409342654 CBLNXYZREWZYGU-KZKLBEMASA-N 433.982 5.932 10 40 IKCB CN(C)C(=C\C1=[N+](C)c2ccccc2C1(C)C)/C=C/C=C1/N(C)c2ccccc2C1(C)C 685944236 FQDCJRLUFKJENT-UHFFFAOYSA-N 426.628 6.006 10 40 IKCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN(CC(C)C)CC(C)C)c1O 2277625 HVXBIVDURXBBSC-UHFFFAOYSA-N 428.598 5.607 10 40 IKCB Oc1ccccc1C1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@](O)(C(F)(F)F)C1 8711388 MHQQUTDABPLFII-GOSISDBHSA-N 439.846 5.034 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1 9188466 JQENORCCOAJKOR-HAHDFKILSA-N 447.581 5.988 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Br 14406582 VEUNYJDAAFWOPF-AQTBWJFISA-N 426.310 5.025 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 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CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1 1162214 KJRHBUYULNWPDN-DEDYPNTBSA-N 434.879 5.137 10 40 IKCB CCN(CC)CCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 4726532 XDESOPZVFRSNRT-UHFFFAOYSA-N 428.020 6.754 10 40 IKCB CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1ccc4c(c1)C(=O)c1ccccc1C4=O)(C2)C3 5445989 JLHNHXHERDWZCW-UHFFFAOYSA-N 427.544 5.787 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(C)c(Cl)c4)C(=O)N=C3O)c2C)cc1 33331097 ZWQIVBBFJVJUOZ-CIAFOILYSA-N 447.922 5.871 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1 58845902 DPKOWYYUNDSHKZ-PPJWLVRDSA-N 430.573 5.931 10 40 IKCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 58850480 WQGIAIBQWXTEQY-UHFFFAOYSA-N 428.863 5.567 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2)cc1 408998244 UELUPMFGCBADOO-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(CCCc4ccccc4)C3=O)o2)c1 409135606 ZGVUGSYWKQOLAM-QNGOZBTKSA-N 433.485 5.314 10 40 IKCB Brc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@H]21 409156400 NQISHTXTDGPYNQ-UMEGOILYSA-N 448.429 7.568 10 40 IKCB O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(F)c(Cl)c1 409180532 WNUOOGKENHZXDC-UDWIEESQSA-N 441.936 6.677 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3ccccc3OCc3ccccc3Cl)C(=O)N=C2S1 8453015 XGMUHYMQHYMDPI-MLDLNWIHSA-N 438.940 5.194 10 40 IKCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1C 9444634 FOBLOSWRZFZCME-CPNJWEJPSA-N 445.009 5.577 10 40 IKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N3C[C@H]1CC=C[C@H]21 9461181 LTANIYNVENJTCN-AIQNWGLSSA-N 446.388 6.546 10 40 IKCB CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10216024 LPDDLBIBEDCDEM-XMSQKQJNSA-N 426.925 5.748 10 40 IKCB COc1cccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1OC 13758845 BKILFALSEJSRSM-UUASQNMZSA-N 426.346 5.416 10 40 IKCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 14415073 DRGGZLPHXKQVQM-CYVLTUHYSA-N 429.438 5.011 10 40 IKCB Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)c1 20059377 BSUQTOQYQDTPSK-KOEQRZSOSA-N 436.555 6.645 10 40 IKCB CCCCCCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 34847020 GZNGDHJALZWUHB-QNGOZBTKSA-N 440.971 6.504 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl 103918774 MHVIRAJIIYENNM-UNOMPAQXSA-N 445.375 6.492 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc21 208217582 GFFOBJNUDYILON-JHDSZEHQSA-N 449.576 5.084 10 40 IKCB S=C(NCc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408735994 ZJZIPAPEDDTUCO-UHFFFAOYSA-N 444.563 6.576 10 40 IKCB O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)OCc1ccccc1 408973755 BKZANLGLWVNBNZ-UHFFFAOYSA-N 429.479 6.838 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C 409015844 BXEDXLGNOZYCQU-JLPGSUDCSA-N 440.543 5.588 10 40 IKCB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409328792 AUVXHOIONSGCPI-CHHVJCJISA-N 441.317 5.316 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)c1 409344344 IRQXYMKVRWCKGV-WQRHYEAKSA-N 446.380 6.968 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)SC2=S)c(C)c1 409350636 YPGLSWRTKOBAPE-UCQKPKSFSA-N 433.598 6.650 10 40 IKCB CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 8443099 KOJRGVYMXUKPKZ-HMAPJEAMSA-N 448.906 5.971 10 40 IKCB CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 8443218 NQNOWYYVUCPTLH-LDADJPATSA-N 425.315 6.676 10 40 IKCB CC(C)c1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 35040191 LGDNUEUNBVRAKC-HEHNFIMWSA-N 447.666 6.607 10 40 IKCB COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)c1 58848693 XMRKTAGBFHLURM-PPJWLVRDSA-N 446.572 5.631 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225018845 ZUVCXLDQFSUBPY-AHWVRZQESA-N 444.648 6.021 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225018905 ONOUHUKRURQPNN-CLJLJLNGSA-N 444.648 6.021 10 40 IKCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(Oc2ccccc2)n1 225956986 TUWVNQRFVDIYOZ-UHFFFAOYSA-N 439.972 5.009 10 40 IKCB COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 408784968 DTBIDBJHSMXPGR-HMMYKYKNSA-N 440.455 5.161 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 408840979 DZDSLTBJRXMJRS-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccc(F)cc1 679197 PUKUJUFWGHYWKU-UHFFFAOYSA-N 432.289 5.494 10 40 IKCB CC(C)CN(Cc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc12)CC(C)C 1448217 GVMZZRGYXTXWBK-UHFFFAOYSA-N 437.536 5.051 10 40 IKCB biogenic Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)n1-c1ccc(F)cc1 7026783 REUYYMJEEGXLMG-POCHDABASA-N 429.532 5.394 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C(=O)N=C2S1 8453005 JWMZUHRCYYKYEM-KBPMXWKNSA-N 433.320 5.529 10 40 IKCB CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 8819697 DKWYVMGOZZODIE-BWHWTHMTSA-N 430.639 5.239 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)cc1 16292350 SPGZVDTUQSZIJA-UCQKPKSFSA-N 449.572 6.115 10 40 IKCB O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 18256274 WKHHQLYYQNVCOK-UDKICSLYSA-N 445.946 5.533 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc21 208192324 FUFLGMYVSMEAGX-LPKQHDGYSA-N 425.985 6.144 10 40 IKCB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219386672 ZKVUVGFHBOMNMB-PMAPCBKXSA-N 431.045 6.324 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1 222920297 JABHMNBXAWXYLW-PKTZIBPZSA-N 439.028 5.771 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(C)cc2)cc1 408760047 QNUFCAFMAKVADB-XQNSMLJCSA-N 442.515 5.245 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 408895654 VCBHFMJNKDJFFT-QJOMJCCJSA-N 431.532 5.271 10 40 IKCB O=C1/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1c1ccccc1 408902168 LGCGBLVEIFASHG-KGENOOAVSA-N 448.525 5.580 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409052640 HKWKPFVBEPESMU-HAHDFKILSA-N 430.479 5.110 10 40 IKCB Cc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2Cc2ccccc2)cc1 44086328 RLNSWYNRQGDRGA-UHFFFAOYSA-N 434.590 5.403 10 40 IKCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144229337 ZYFIJKLANOAMEL-MTJSOVHGSA-N 449.488 5.252 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 222963560 GMEZPMAWOOFOPK-LOSJGSFVSA-N 432.637 5.824 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225018535 SWLLFWJCRCULBX-CLJLJLNGSA-N 444.648 6.021 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1Cl 408987546 PAMDQUKIBJYCGI-MOSHPQCFSA-N 432.863 5.107 10 40 IKCB CC(C)(C)[n+]1c(-c2ccc(Cl)cc2)csc1Nc1cc(C(F)(F)F)ccc1Cl 2559266 LINHQIADSBONDZ-UHFFFAOYSA-O 446.345 7.527 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1Cl 9232250 NPHMHDYEUWGZJS-GIDUJCDVSA-N 430.765 6.061 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1 12629262 QWHVMPHKMAWTQQ-MOSHPQCFSA-N 435.526 5.613 10 40 IKCB C[C@H]1C[C@@H](C)CN(c2nc(O)c3c(-c4ccccc4)c4c(nc3n2)-c2ccccc2C4=O)C1 18077469 FOMBPVXTFRBSTB-IYBDPMFKSA-N 436.515 5.091 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)cc1 408849248 ZGGOIBXKMGNNMT-KGENOOAVSA-N 435.296 5.731 10 40 IKCB COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 408866755 ISZSDSZCKIFITP-UHFFFAOYSA-N 448.931 5.097 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3ccccc3)c12 409135435 QSLCPEQHBSSYGT-STZFKDTASA-N 436.602 5.100 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(Nc4ccccc4C(=O)O)=NC3=O)cc2)cc1 8821745 FRULRCQIFJBZOE-HMAPJEAMSA-N 444.512 5.355 10 40 IKCB Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1 19792867 YUNDLBHPFAEIRY-UHFFFAOYSA-N 447.453 5.994 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S 208707218 ZYXDOIASGUQHJM-CHHVJCJISA-N 425.318 5.616 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224163682 BLUIHMSJZVTQRX-UIOOFZCWSA-N 438.600 5.975 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C 225670263 KMBHHZQCCIUJQN-MJGOQNOKSA-N 439.625 5.456 10 40 IKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C 408757936 SMGMEYDFDILHOE-CIAFOILYSA-N 449.898 5.165 10 40 IKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1c2ccccc2cc2ccccc12 2075712 UPTYECXZKKQXLU-XMHGGMMESA-N 427.297 6.737 10 40 IKCB CCN(CC)CCC[C@H](C)Nc1c2cc(OC)cc(C)c2nc2c(C)c(Cl)ccc12 5807599 YVKWDYYNICMEEA-KRWDZBQOSA-N 428.020 6.589 10 40 IKCB COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(-n3c(C)c(C)c4ccccc43)c2)cc1 16779662 QZRZFYYXXRJXRG-UHFFFAOYSA-N 436.533 5.071 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 18173626 MRESIZYIMNGHKT-ZRCGQRJVSA-N 430.891 6.306 10 40 IKCB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 33441710 KGEIGANHXODANB-NSIKDUERSA-N 427.290 5.013 10 40 IKCB 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Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)c1 223552207 QLOIOLNGZNWLDE-SDLXJUDFSA-N 445.563 5.162 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224187052 JFQUKYAIPRMWFI-LOSJGSFVSA-N 440.572 5.366 10 40 IKCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)cc1 408869871 SFAGUSWKYFEGLV-KOEQRZSOSA-N 438.527 5.123 10 40 IKCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCC)C3=O)c2C)cc1 409138002 YRZYAKPTGWNEEO-QNGOZBTKSA-N 440.565 5.497 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3ccccc3)c12 409146352 SLPTWKCWPRGNSJ-XKZIYDEJSA-N 434.630 6.109 10 40 IKCB CC(C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 409193916 HUMSNBPKKNGGAW-YVLHZVERSA-N 434.380 5.642 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3C)C2=O)cc1 13661935 FMBIWAUAVADMIQ-WSLHGYQHSA-N 441.531 5.025 10 40 IKCB O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 58845629 XDSKIVLWMRVAEE-YZUZCNPQSA-N 447.516 5.222 10 40 IKCB 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CCCn1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21 409333549 UKISDNUPSNUBGU-GRSHGNNSSA-N 430.957 6.250 10 40 IKCB c1ccc2c(NCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1 5208883 RLOKQEOHNQQWOA-UHFFFAOYSA-N 428.539 7.004 10 40 IKCB O=C1N(C(c2ccccc2)c2ccccc2)c2ccccc2[C@]12NN=C(c1ccccc1)S2 10039252 XBPATECPRFULHX-MUUNZHRXSA-N 447.563 5.674 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)N=C2S1 41083040 NHYYZCMTHOOMGA-JSIBOBQWSA-N 425.945 5.330 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)C1 260742720 YHJTUDIASANRNU-OALUTQOASA-N 436.625 5.097 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408737699 FTJWFJADYUMPOF-HYARGMPZSA-N 434.337 5.663 10 40 IKCB Cc1oc2ccc(O)c(CN3CCCC[C@@H]3C)c2c1C(=O)Nc1cccc(Cl)c1C 5182559 DUQJXYCJYIKCIP-AWEZNQCLSA-N 426.944 6.035 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3CC)SC1=S 9310411 VLXFLOIPJAIBRL-LFVJCYFKSA-N 442.609 6.783 10 40 IKCB 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CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OCC 409346539 NBSXZOKJHDWWCM-ATVHPVEESA-N 426.003 5.671 10 40 IKCB CCS(=O)(=O)Nc1cccc(Nc2c3cccc(C)c3nc3c(C)cccc23)c1OC 5009028 QMCDVNAYRIAXHJ-UHFFFAOYSA-N 435.549 5.519 10 40 IKCB Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 8615410 AMTWUDMKCXRHLJ-NNVROAHOSA-N 449.984 6.745 10 40 IKCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(Nc3ccccc3)=NC2=O)cc1 13039625 OBKAQMYVXXITMB-KQWNVCNZSA-N 436.540 5.930 10 40 IKCB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225655340 QSSNJWBSRVTMPJ-GOSISDBHSA-N 425.598 5.066 10 40 IKCB C[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCCCC2)cc1 225664911 XATODKIPVSWUKT-CQSZACIVSA-N 436.394 5.626 10 40 IKCB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577710 JQOKOQILDZDYOK-WOVHNISZSA-N 430.592 6.111 10 40 IKCB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260619562 NVMZVYUVPLPGQB-WOVHNISZSA-N 436.640 6.255 10 40 IKCB 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AVPKPXVQWBJEAK-CHHVJCJISA-N 425.318 5.616 10 40 IKCB COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1 12420476 ARXVWLDFZFFXQQ-XSFVSMFZSA-N 429.428 5.164 10 40 IKCB Cc1ccccc1COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 19798341 UAEATRHZSOKKBH-HAHDFKILSA-N 431.582 5.975 10 40 IKCB COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C(=O)N=C2O)cc1 33420099 QWWQGDIZEOPDSR-HAHDFKILSA-N 442.471 5.089 10 40 IKCB O=C1/C(=C\C=C\c2ccc(Br)cc2)SC(=S)N1c1cccc(Cl)c1 113830372 MDUCXYJMTOOBIM-WDEHBGAFSA-N 436.783 6.065 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C[C@@H]4C)S2)cc1 208315676 WMEJDQNFQSKVDD-XHFXOGKZSA-N 447.648 6.752 10 40 IKCB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219338666 JQOKOQILDZDYOK-SWYRRKHMSA-N 430.592 6.111 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(F)cc1 225015294 VSKZGSZGNAQOTG-RPWUZVMVSA-N 434.584 5.543 10 40 IKCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 408601486 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6.281 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1C1CCCCC1 59418177 QDXGFOTZPOMNIN-KGENOOAVSA-N 427.566 5.939 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222837225 YHWRBGRAMRROCY-ILBGXUMGSA-N 432.637 5.741 10 40 IKCB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 224586498 RSHYSMRJGGIOFW-DQEYMECFSA-N 440.572 5.366 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1Cl 225696222 XSSIOXNFOZMSHP-HNNXBMFYSA-N 431.989 5.165 10 40 IKCB O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2F)N1c1ccc(F)cc1 408845032 QBKQDMOEIWDQAE-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1OCC 2259233 ANLSPZCXHGOZOC-JWGURIENSA-N 446.934 5.972 10 40 IKCB O=C(Nc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2c1)c1ccccc1 4804173 KQVIHDHUXAVUES-OCEACIFDSA-N 447.472 5.460 10 40 IKCB COc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)OC(F)(F)F)c(N)c23)c1 8763934 XKHIIOWGUMKOEC-UHFFFAOYSA-N 444.434 5.898 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 9187024 NAOSFIJCENZZLF-RCCKNPSSSA-N 448.569 5.175 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1Cc1ccccc1 33694452 LCXHQOWSMXMULZ-HMAPJEAMSA-N 435.545 5.806 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1 96193422 LBTLFEDKWPULOM-HMAPJEAMSA-N 446.934 6.124 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C 222870803 GRVUQCXBCDRMRR-CLJLJLNGSA-N 440.616 6.025 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(F)cc1 223096633 FMOYTWQTKSZMLA-JWQCQUIFSA-N 448.611 5.933 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)cc21 223333709 RCYQRVNOKPDISO-DNQXCXABSA-N 444.604 5.479 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1 224600968 HFQWUCWEHRNJRY-RPBOFIJWSA-N 440.572 5.372 10 40 IKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 408760900 ARUOJHZCOORYDV-LFVJCYFKSA-N 426.878 6.467 10 40 IKCB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1C 408968831 ZPULRVUEOQYUHI-UCQKPKSFSA-N 434.536 6.032 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 409126300 BMSJEAWJOHQVPP-XQNSMLJCSA-N 434.536 5.902 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 409157957 QSVHYYHCRLBXIH-WOVHNISZSA-N 428.557 7.022 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1 8821345 OHPMXEBVFPTWJR-JLPGSUDCSA-N 445.609 6.542 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1 9188369 SXRQNIVNEPJNHO-KQWNVCNZSA-N 446.597 5.737 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 9291668 ZQGWZRXGJXSGQB-BEBMFCDBSA-N 443.935 5.306 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCSc1ccc(C)cc1 12285352 LBKAIKAHMFWERX-UYRXBGFRSA-N 431.604 5.006 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 13058538 NCFKPDBLUFSNCS-MOSHPQCFSA-N 435.526 5.343 10 40 IKCB Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c1 14479783 OCEHKAHXCNSBAU-CLCZQPDDSA-N 444.600 6.239 10 40 IKCB O=C(Nc1ccc2c(O)c(/N=N\c3ccccc3)c(S(=O)(=O)O)cc2c1)c1ccccc1 104367069 KQVIHDHUXAVUES-QPLCGJKRSA-N 447.472 5.460 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222925020 ZSZJRTLNRFRRNO-LOSJGSFVSA-N 432.637 5.734 10 40 IKCB Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)cc1 408761609 HBNSASUVIWYCNT-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 408984969 JOZMHCATEWJATQ-CJLVFECKSA-N 429.947 6.827 10 40 IKCB Cc1cc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)cc([N+](=O)[O-])c1C 409329399 FPAWHASOFQGSPS-NDENLUEZSA-N 442.562 6.006 10 40 IKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc(Br)cc2)o1 4211741 VMFJGVQHEJLGBK-PTNGSMBKSA-N 427.681 6.344 10 40 IKCB CCCC[C@@H](CC)CN1C(C)=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)C=C1C 5978484 WIMNJILXZGLNPV-JOCHJYFZSA-N 431.669 7.602 10 40 IKCB CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 14086441 VFLROUUBSBKEEB-UHFFFAOYSA-N 444.604 5.274 10 40 IKCB Cc1ccc2[nH]c(SCC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)nc2c1 14357588 LUEDSYDDDSVBDL-UHFFFAOYSA-N 443.494 6.273 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)cc1 16678562 WNQHMMDSIHVTHA-UHFFFAOYSA-N 449.938 6.012 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 35042914 PRSXFKAYIBAQBU-NDENLUEZSA-N 443.355 6.898 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(N(C)C)cc1 222617527 YOXWRAWYOHEFBP-PKKBDPGCSA-N 431.609 5.144 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)c1 409339948 NFCCLXZLUPLHFF-MOSHPQCFSA-N 435.530 5.159 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 409367230 MCNAHLMVICXERP-SXGWCWSVSA-N 434.344 5.593 10 40 IKCB Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(C)c1 8820420 VSWNBRMFAQQZOX-VTGAJVDQSA-N 436.602 5.398 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C 26675895 QZBGGTMIFOPGAN-HAHDFKILSA-N 447.581 5.988 10 40 IKCB O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 58846951 QMRQWCQVVLKWEC-SRGWNRLKSA-N 438.499 5.592 10 40 IKCB CCN(CC)c1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c(OC)c1 408741154 HCLZIHRNDBDTLT-SFQUDFHCSA-N 428.326 5.285 10 40 IKCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2Cc2ccccc2F)C1=O 408868693 AUOPHQYRVGZJEJ-DEDYPNTBSA-N 448.881 5.045 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 409327081 HQITXZIBQTWJQD-XDHOZWIPSA-N 427.547 5.487 10 40 IKCB COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c1 409341969 AUVZQVDOOCTJMQ-OVCLIPMQSA-N 440.771 5.517 10 40 IKCB O=S(=O)(Nc1cc(Br)c(O)c2ccccc12)c1ccc2ccccc2c1 1197782 XAXIIMXGVXUAGS-UHFFFAOYSA-N 428.307 5.262 10 40 IKCB Cc1cc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)ccc1[N+](=O)[O-] 9296520 VGUJZXTYNASYST-XDHOZWIPSA-N 428.535 5.697 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N3CC[C@H]2c1ccccc1 15188079 VXYAZKHVXNXSCN-DUOVIKOCSA-N 441.958 6.795 10 40 IKCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S 16790602 GWLQAAWJVDPOKT-QGOAFFKASA-N 431.966 5.561 10 40 IKCB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58848879 HRLPXJQYTSEFRK-WZOHSFFVSA-N 432.545 5.323 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 100148326 YEHJFYXTUDNMQB-HZHRSRAPSA-N 425.919 6.149 10 40 IKCB COc1ccc(/N=N\c2c(-c3ccccc3)nn(C(=S)SC)c2-c2ccccc2)cc1 104225412 MPWQLFANXPAMSL-QPLCGJKRSA-N 444.585 7.137 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)cc1 408840130 BHRMTHULFSSIBA-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1 409151551 HQZOLZFSHSCHDU-UEXGIBASSA-N 429.345 6.415 10 40 IKCB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]21)c1ccccc1 409369385 LRYDIMAHTCSPLV-UULWCRSYSA-N 445.522 6.497 10 40 IKCB Fc1ccc(N2CCN(C(=S)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)cc1 8845888 RPYBAPUHUSUACY-UHFFFAOYSA-N 434.458 5.602 10 40 IKCB Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 9233631 RUVGUAWGVBNFFG-LICLKQGHSA-N 429.364 5.645 10 40 IKCB Cc1ccc(Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2cccc(N)c2)cc1 13998995 WUGNFWVJPDBMFJ-UHFFFAOYSA-N 446.551 5.359 10 40 IKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Cl)c(Cl)c1 27519434 UUNDPIMSSZBLAL-SFQUDFHCSA-N 437.282 6.373 10 40 IKCB S=C(/N=N/c1ccccc1Oc1ccccc1)NNc1ccccc1Oc1ccccc1 104074292 AYRQKQYHAGQLKD-ORIPQNMZSA-N 440.528 7.257 10 40 IKCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C 223578647 JSJCDJIVGMLMMC-OVBDPADQSA-N 445.563 5.082 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)SC2=S)c(C)c1 408603532 ROBMSHWKUQRFDE-JAIQZWGSSA-N 427.497 6.247 10 40 IKCB O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1c(F)cccc1Cl 409074316 SZYTTZRFBRVMBS-ODLFYWEKSA-N 434.895 5.455 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409143513 CHGQZQPSPKHQOV-BKUYFWCQSA-N 439.537 5.619 10 40 IKCB Cc1cc2nnc(SCC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)n2c2ccccc12 1466060 NNYZGRGZMVCERX-UHFFFAOYSA-N 444.535 5.713 10 40 IKCB CN(C)c1ccc(/C=C2/SC(=S)N(CNc3ccc(-c4ccccc4)cc3)C2=O)cc1 8872869 YWSVCMSAGCARMP-XQNSMLJCSA-N 445.613 5.690 10 40 IKCB O=C1N=C(O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1CCc1ccccc1 17016499 CXCSQLNIKOZGBY-OQKWZONESA-N 435.483 5.380 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222837403 YHWRBGRAMRROCY-ZCYQVOJMSA-N 432.637 5.741 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408764908 NSDSDCWAPCIHQM-XQNSMLJCSA-N 432.907 5.582 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc2ccccc2c1 408902915 SBJTWWLZOCRKIM-YZSQISJMSA-N 448.522 6.234 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 408904810 OYWMOBJZVGPNPG-KOEQRZSOSA-N 436.486 6.364 10 40 IKCB CCN(CC)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 409094398 DZIHWIZCMHXICF-GZTJUZNOSA-N 448.748 5.046 10 40 IKCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)cc1 409203712 YPOILMBCYLBBDJ-NLRVBDNBSA-N 448.522 6.100 10 40 IKCB O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc(-c2ccccc2)o1 1471591 UXFLHJRAUUILBQ-CJLVFECKSA-N 449.963 5.393 10 40 IKCB COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1OC 9159466 LSRQIEBDTSTSST-FQEVSTJZSA-N 436.895 5.054 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 9188563 BJDJNSJGKNGRHO-WQRHYEAKSA-N 437.417 6.245 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 9296604 JVHCZMKKSCMWBK-PXLXIMEGSA-N 433.554 5.680 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cccc3ccccc23)c(C)n1-c1ccc2c(c1)OCO2 13145368 YJMQFYNOZBNTNJ-UHFFFAOYSA-N 427.456 5.016 10 40 IKCB CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 13464059 PNANEEGQWCRWBN-BKUYFWCQSA-N 437.326 6.379 10 40 IKCB COc1cc(/C=C2/SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)ccc1O 27229119 RRPXUYVLEGMNMV-VIZOYTHASA-N 428.819 5.155 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2)C(O)=NC(=S)N1c1ccccc1F 59136414 NJWOTKQJBIDUTG-NBVRZTHBSA-N 432.476 5.076 10 40 IKCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 59137947 AEMNNKXFXNUHKY-XSFVSMFZSA-N 432.501 5.808 10 40 IKCB C/C(NCCSc1ccc(Cl)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112294451 MTKMUSHFFQIWRR-NKFKGCMQSA-N 447.991 5.747 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc21 208192363 FUFLGMYVSMEAGX-GNKPEBMXSA-N 425.985 6.144 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(O)cc1 223098778 DUJQZZHGHMYLLC-DQEYMECFSA-N 446.620 5.500 10 40 IKCB O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 409329815 GWTPLOYYJCVKDU-YDZHTSKRSA-N 441.533 6.128 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1O[C@@H](C)CC 409330120 IZNHGUBFNPGQMW-HBBMIWKISA-N 443.590 5.677 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 409340052 PPYKYJKGQCSNBG-JCMHNJIXSA-N 441.618 6.287 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC 409347341 LWTJURSJWKYMCP-PFRBSUFTSA-N 449.597 6.432 10 40 IKCB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1cccc2ccccc12 929890 AHGWGAOAUXFZOP-OAQYLSRUSA-N 443.572 5.613 10 40 IKCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1 2446269 ILGYAUINCPKOAV-MQIWZSEOSA-N 437.594 5.041 10 40 IKCB CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 8763448 OXDLJAKZSLXKCC-VKAVYKQESA-N 426.003 5.445 10 40 IKCB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3OC)c(C)c2)cc1 14067030 GVGWHFFPICMKGX-BYYHNAKLSA-N 447.491 5.613 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)SC1=S 40005934 OLZGXYLRXORZEC-DEDYPNTBSA-N 431.554 5.415 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21 223085129 RRXCWULYLXFHOG-JWQCQUIFSA-N 446.664 6.019 10 40 IKCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1N1CCCC1=O 225666199 RNZSLQLGEYDIRU-IBGZPJMESA-N 436.625 5.160 10 40 IKCB Cc1sc2nc(-c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)nc(O)c2c1C 408734770 JNQHTEITWHQZER-UHFFFAOYSA-N 431.605 7.136 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(C)c3)C2=O)c(OC)c1 408763852 KRKPKSJPDSZRSE-HYARGMPZSA-N 432.907 5.500 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4cc(C)ccc4OC)NC3=O)c2C)cc1 408808563 JJSAWEZJJGLIDF-UHFFFAOYSA-N 448.568 5.183 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1 409327518 KMMRKBJTLYBNAH-MHWRWJLKSA-N 438.343 5.393 10 40 IKCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)SC1=S 409345158 KNQDJTWWSYZZLL-FYJGNVAPSA-N 435.526 5.564 10 40 IKCB COc1cc(OC)c(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1Cl 2118668 RWVGCHKWQXJXJJ-UHFFFAOYSA-N 449.890 5.487 10 40 IKCB biogenic CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4C)ccc3o2)cc1 2137960 YKZKGVHJWBUVCH-UHFFFAOYSA-N 443.547 5.975 10 40 IKCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3Cl)C2=O)cc1 8914102 WFVXGSYSPJIMCU-XSFVSMFZSA-N 433.895 5.259 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2)cc1 9188484 SGORHIQDBFTNPV-HAHDFKILSA-N 431.582 6.288 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O 13614546 LXMAFDMBKNQFBC-SXGWCWSVSA-N 425.453 5.216 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1 41083390 ZBMVKMYTMOZFCD-RNJGGXIZSA-N 441.560 5.667 10 40 IKCB CC(C)n1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cn1 95476100 XRNQIVUQXLHZMT-UHFFFAOYSA-N 447.495 5.397 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222927663 VAQBUQUPGMBHAO-AZGAKELHSA-N 446.664 5.988 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222968907 YMTHHKILMFZSBF-RPBOFIJWSA-N 432.637 5.879 10 40 IKCB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c1 224227547 DQDLFASGBLWHCF-JWQCQUIFSA-N 439.588 5.370 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2Cl)cc1 408840797 GAOLIWKGCUAFCZ-XSFVSMFZSA-N 433.851 5.091 10 40 IKCB CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC1=S 409137982 XWSNLBIQZSUSTH-NVMNQCDNSA-N 443.391 5.283 10 40 IKCB O=C(Cn1c2c(c3ccccc31)CCC2)N1CCCCCCN(Cc2ccccc2)CCC1 643562468 UPRNTBOTSDFQJG-UHFFFAOYSA-N 443.635 5.425 10 40 IKCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12 723624 AFFUDDFWSUQVHZ-HMAPJEAMSA-N 426.859 5.313 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCC[C@H](C)C2)c1O 1251358 GPGRJNRGDXNHRD-HNNXBMFYSA-N 434.561 5.570 10 40 IKCB biogenic CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1 2422885 TVFSZESFEIICSZ-OOEDSJJISA-N 437.594 5.157 10 40 IKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8442929 KLEGHMQRXNNOKF-UNOMPAQXSA-N 438.915 5.353 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 8821482 CKRUBGLCNJHYKF-DEDYPNTBSA-N 436.514 5.823 10 40 IKCB CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 9188805 GSSGRGKLYVLTOM-JWGURIENSA-N 432.570 5.951 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(O)=NC(=S)N1c1ccccc1 17179872 RFQLTEGSLXWXMI-PTNGSMBKSA-N 443.311 5.925 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(Cl)cc4)C3=O)n2)cc1 100510795 SQYJYIHTOCYRNH-FTGFMQHASA-N 425.901 5.347 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc21 223483442 MUXYBSRZVJQLMT-HYARGMPZSA-N 443.547 5.072 10 40 IKCB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225669968 SJOAJADKYSFKBL-CVEARBPZSA-N 446.016 5.411 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1 9291845 STFPPAVSTFAPFT-GNMKNICSSA-N 433.581 5.520 10 40 IKCB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)o1 21281179 NBIFATBQNCMEEK-UHFFFAOYSA-N 445.903 5.813 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 41108468 ZQGWZRXGJXSGQB-LTQDZZRLSA-N 443.935 5.306 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1cccc(Cl)c1Cl 59137753 OPVBMBWWNWSGFC-GXDHUFHOSA-N 445.233 5.899 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 260775040 OVKVSWIAFFBOTG-FGZHOGPDSA-N 441.044 5.749 10 40 IKCB COc1cc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)ccc1Cl 408758094 VESODSKOFBWMSK-LPYMAVHISA-N 448.954 5.574 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)cc1 408847379 VJFDKROKGOWBDE-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 409002350 TZQPAFWJNJYXOV-DEDYPNTBSA-N 427.718 6.481 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 409188763 AHLZRNLYCYJOGL-UDWIEESQSA-N 426.900 6.128 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OCC 409330061 KCUFISUPZYJVCW-MOSHPQCFSA-N 445.631 6.002 10 40 IKCB COc1cccc(CN(C(=S)NCc2ccccc2)c2ccc(F)c(Cl)c2)c1O 1079291 QCDDWQIWPUFKNR-UHFFFAOYSA-N 430.932 5.275 10 40 IKCB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCC[C@H](C)C4)c23)cc1Cl 8612132 ZHSGQVLTFASPHA-AWEZNQCLSA-N 442.943 5.593 10 40 IKCB COc1ccc(C(=O)Nc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1 9634841 GNBMPPCPWDXBRC-QNGOZBTKSA-N 446.553 5.353 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1cccc2ccccc12 13941783 MFFNJJHYZLMCBB-HMAPJEAMSA-N 435.570 5.649 10 40 IKCB Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1 19792870 KHWDWMQAZPISJY-HNNXBMFYSA-N 447.453 5.993 10 40 IKCB CCCCN(C)Cc1c(O)ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc12 19793043 NJPHICWAMABCMM-UHFFFAOYSA-N 449.469 6.104 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2cccc3ccccc23)c2ccccc12 20523059 IGOGGZBSBXGQKZ-ONUIUJJFSA-N 443.506 5.304 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 96193363 NQPBLQSMSWDLAN-QGOAFFKASA-N 434.879 5.396 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1 224431011 ZSHRWRZCWPLUOL-LOSJGSFVSA-N 442.563 5.805 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)c(OC)c3)SC2=S)cc1 409357518 QOTQNMWWLRNWFK-BOPFTXTBSA-N 437.489 5.101 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(O)=NC(=S)N1c1ccc(F)cc1 1310317 QUUZEPZSWHOPJD-GZTJUZNOSA-N 426.856 5.411 10 40 IKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 6135785 SPNYMJLMVXXJKA-OCOZRVBESA-N 432.436 5.116 10 40 IKCB COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCC[C@@H](C)C3)c(O)ccc2c1=O 6162687 VSVRCAWGDWSIPT-CQSZACIVSA-N 447.453 5.425 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCc1ccccc1 8431895 URSULVRTIFPRRB-XSFVSMFZSA-N 432.907 5.734 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1 9309810 LBKHMUGTHFRQMF-LANNQIRMSA-N 446.363 5.430 10 40 IKCB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1 16678260 HBYWPPQVBIRMGV-UHFFFAOYSA-N 443.547 6.382 10 40 IKCB FC(F)(F)c1cc(/N=N/c2c(-c3ccccc3)cc3ccccn23)cc(C(F)(F)F)c1 18191732 GIXCNGDVVFGQGK-QVIHXGFCSA-N 433.355 8.059 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208327102 SMYKHQZCDFLATG-NLKUQUHMSA-N 434.605 6.344 10 40 IKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4SC[C@@H](CC)N43)c2C)cc1 222696198 UDGOQJBMROSJDX-DCEDVJGZSA-N 430.621 6.031 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1 223343477 JNDNEBRWYLUNFX-LOSJGSFVSA-N 442.588 5.563 10 40 IKCB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)ccc2c1 225727264 GFTSLADPYHAKAU-IBGZPJMESA-N 438.593 5.124 10 40 IKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1 408739097 TVQVQBYYMSNVNI-QGOAFFKASA-N 436.736 6.574 10 40 IKCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)c3c(C)n(C)c4ccccc34)ccc12 2091791 KWKSZJHALRBHKC-UHFFFAOYSA-N 441.483 5.325 10 40 IKCB biogenic CN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 8857627 PXBZFHPNQAPSFC-XDJHFCHBSA-N 444.647 5.168 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)c(C)c1 9188600 BVNQJFFFCHYISP-HAHDFKILSA-N 431.582 6.288 10 40 IKCB C/C(Nc1ccc(Cl)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 19642591 ZCLBGOKGERLJHC-QNGOZBTKSA-N 444.947 6.087 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1 33924943 FVLALKIONKCDMQ-MJBUPYINSA-N 427.533 5.277 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 222788710 FFAQNJRLTQQQRZ-RTWAWAEBSA-N 445.419 5.788 10 40 IKCB COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222921946 OOUWBKCZBRBBCN-BJKOFHAPSA-N 434.609 5.126 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1 223533480 RAIXEFYTPFWZBP-JWQCQUIFSA-N 439.588 5.057 10 40 IKCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 225690590 MTJKVLWBBXFVJC-AWEZNQCLSA-N 441.950 6.082 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408970077 AAFUDLPBCBZZTK-PGMHBOJBSA-N 438.449 6.367 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 409343181 CUBOXIGANREYHA-MOSHPQCFSA-N 425.962 6.298 10 40 IKCB C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@H](C)O1 9335014 UXLCMHBQTNGESC-VDYCAFGDSA-N 436.455 5.045 10 40 IKCB COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC 12628137 HDILAOFDMAEPHF-SXGZJXTBSA-N 445.313 5.509 10 40 IKCB Cc1ccc(C(C)C)c(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 33390877 WFUOZMYIKBVPMQ-JCMHNJIXSA-N 441.618 5.797 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 35039887 UKYPVGCQLHGZCY-MOSHPQCFSA-N 436.514 5.823 10 40 IKCB O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)c1ccc(F)c(Cl)c1 36357701 ASGWDQJHHALNNG-UHFFFAOYSA-N 434.902 5.491 10 40 IKCB Brc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1ccccc1 70453947 VYLRTJIWIRDEIH-UHFFFAOYSA-N 431.333 6.718 10 40 IKCB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Br 218828909 WUTIBJCFISAVJT-SJLPKXTDSA-N 445.401 5.250 10 40 IKCB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219349099 RRYOIKZGHJMDCU-ZBLYBZFDSA-N 430.592 6.111 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1 408760059 QTICQMHEDDUONS-FXBPSFAMSA-N 443.974 7.117 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 408974444 ZGJUNJWUCWRKLL-PDGQHHTCSA-N 440.377 5.302 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)c(C)c3)C2=O)cc1 408983453 BWJHCHXJPRMIPD-HMMYKYKNSA-N 433.910 6.658 10 40 IKCB COCCCNc1cc(Nc2ccc(OC)cc2)c2c3c(onc13)-c1ccccc1C2=O 2393265 OJADQYZQYMXXNW-UHFFFAOYSA-N 429.476 5.240 10 40 IKCB Cc1cc(C(=O)CSc2nncn2Cc2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 32869316 LPURHHXSRNADMR-UHFFFAOYSA-N 444.919 5.094 10 40 IKCB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)Nc1ccccc1 44086348 KTQLOAOFGVFHPZ-UHFFFAOYSA-N 444.516 5.237 10 40 IKCB Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 58851301 QBZMNKCUUGHONM-PEBVRCNWSA-N 429.572 7.236 10 40 IKCB CCCOc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OC 108253420 IOHQOGUNYWSKCX-BOPFTXTBSA-N 437.348 5.873 10 40 IKCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3F)cc2)C1 225691288 AULMIIAJXMNESE-CQSZACIVSA-N 436.394 5.311 10 40 IKCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 408738730 NGIQAQLTMZDUIZ-CJLVFECKSA-N 444.372 7.044 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1 409150344 BDQQUFBMCSMPRS-ZYLNGJIFSA-N 438.423 8.112 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409329403 FRFDXHYZWROWQL-CPNJWEJPSA-N 444.534 5.188 10 40 IKCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc2ccccc12 8820438 XNCUSEDOGIDDDF-XQQFJBLJSA-N 444.581 5.626 10 40 IKCB N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 13758036 MUUMTIXIIRGZGV-QGUUBAPPSA-N 430.920 5.355 10 40 IKCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(OC(F)F)cc1 15154100 WAGCVUSAMQSCKQ-AWEZNQCLSA-N 448.853 5.172 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 40867488 XHGWFUNSIRPMRZ-AQTBWJFISA-N 446.981 5.065 10 40 IKCB N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC=C(c3ccc(F)cc3)N12 41083589 HCRQUGDYKDKIDQ-KFQNLNRXSA-N 434.279 5.142 10 40 IKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2 43769621 UJBODOYKWBPKKC-JXALWOEJSA-N 431.919 6.444 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 44827021 BYRHVBILJBRTSP-KQWNVCNZSA-N 436.540 6.196 10 40 IKCB CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)SC1=S 58822029 JPZFAJZXBMRSAH-HYARGMPZSA-N 435.570 5.649 10 40 IKCB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)c1 102686938 ZEUOVVBERAYTPR-RCCKNPSSSA-N 449.601 5.549 10 40 IKCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1N1CCCC1=O 225666224 RNZSLQLGEYDIRU-LJQANCHMSA-N 436.625 5.160 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S 409388897 XRZFSLUFZKCVRW-SOFYXZRVSA-N 448.352 5.814 10 40 IKCB CCN(CC)c1ccc([C@H]2N(C(=O)c3ccccc3)CCN2C(=O)c2ccc(C)cc2)cc1 1063318 PCRAIZZSKAOEGE-SANMLTNESA-N 441.575 5.138 10 40 IKCB O=C(O)c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 8442968 JYZXGHMEPFMIFM-KEYYUXOJSA-N 449.142 5.736 10 40 IKCB O=C1/C(=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 16779298 AEGRPEZBLVBOQF-SIDZRIOQSA-N 435.570 5.127 10 40 IKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2)cc1 17099731 MTQUBHFIQZRWID-JCMHNJIXSA-N 435.886 5.625 10 40 IKCB COc1ccccc1S(=O)(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 58708013 LIPBFYXPNVYQCP-UHFFFAOYSA-N 434.589 5.410 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2cccc(C)c2)cc1 408759566 HEJWLHYTNVXBPJ-LFVJCYFKSA-N 442.515 5.245 10 40 IKCB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2)N[C@@H]1c1ccc(N(C)C)cc1 408991204 PQLHVBQQXRVMLJ-OAQYLSRUSA-N 444.000 5.177 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409058279 MABYHHSGRKJJBC-JLPGSUDCSA-N 440.543 5.588 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC 409333742 VLQFAVOFVMCHCQ-DABDWFRDSA-N 429.563 5.287 10 40 IKCB Cn1cc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)c2ccccc21 2428338 KQRMPFWVHNRTNO-YVLHZVERSA-N 429.364 5.347 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c(OC)c1 8821565 ISEQFLNJLURYKW-APSNUPSMSA-N 426.346 5.416 10 40 IKCB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)c2ccc(C)cc2)cc1 9328863 QMIWHIWIOBMTSK-SANMLTNESA-N 436.511 5.854 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)C(Cl)(Cl)Cl)ccc3o2)cc1 16678552 PGYPFJDNVRIWRH-UHFFFAOYSA-N 426.731 5.650 10 40 IKCB CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 16791053 IDOFVDVYSKOXIQ-OOWUWCJESA-N 434.026 7.018 10 40 IKCB Cc1ccc(C(C)C)c(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 33390854 HARIBFRWAXVXBG-JCMHNJIXSA-N 441.618 5.797 10 40 IKCB COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)o1 106379600 TUONGLLOOGOXQQ-BKUYFWCQSA-N 449.553 5.756 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4ccc(C)c(C)c4)=NC3=O)cc21 208454253 ISHUXONXTNENNH-QRVIBDJDSA-N 431.605 6.326 10 40 IKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 219843438 ZDCXXZSSBRPQSF-UHFFFAOYSA-N 434.967 5.839 10 40 IKCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccc(F)cc1 408536762 XXCILWXTPDPSOS-XYGWBWBKSA-N 429.539 6.012 10 40 IKCB Cc1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(Br)c2)c1 408755471 QFPKLDDOTYYMMC-FYJGNVAPSA-N 435.296 5.731 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409017042 DNFCIWDWZYATIX-UQQQWYQISA-N 439.511 5.451 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C 409332855 SDVHNVRAMZFRON-ODLFYWEKSA-N 444.534 5.187 10 40 IKCB CCN(CC)c1ccc([C@@H]2N(C(=O)c3ccccc3)CCN2C(=O)c2ccc(C)cc2)cc1 1063320 PCRAIZZSKAOEGE-AREMUKBSSA-N 441.575 5.138 10 40 IKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 1796016 WVDIMIVWIGYONS-YDIMBITNSA-N 441.402 6.836 10 40 IKCB C/C(Nc1cc([N+](=O)[O-])ccc1C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17096821 KPJJUTZMTORSLF-JWGURIENSA-N 430.439 5.179 10 40 IKCB O=C1N=C(O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(OCc2ccccc2)cc1 34234801 NEIVFUIEOSJVNE-UNOMPAQXSA-N 448.862 5.131 10 40 IKCB COc1ccc(Sc2ccc(/C=C3\C(=O)N([C@H](C)c4ccccc4)C(=O)N=C3O)o2)cc1 41108828 QRVQPWUJRTZFHP-KWPCUBQOSA-N 448.500 5.503 10 40 IKCB CCN1/C(=C/C=C2\SC(=S)N(c3ccccc3)C2=O)Sc2ccc3ccccc3c21 102133511 RHUFKOXKFGBNMI-SIBCGJTDSA-N 446.622 6.562 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)nc1 224173553 GRKOGMFTGBWNJK-LOSJGSFVSA-N 439.588 5.370 10 40 IKCB Cc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(Cl)cc1 408795329 BXCDMGLNJXWCNW-UHFFFAOYSA-N 426.924 5.650 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409190654 UQQYIPPKXWVWEI-YBFXNURJSA-N 439.876 5.848 10 40 IKCB Cc1cc(C(=O)COc2ncnc3ccccc23)c(C)n1-c1cccc(C(F)(F)F)c1 3450366 LTBGGBLTMLLZAE-UHFFFAOYSA-N 425.410 5.318 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(F)c1 8439098 QWZOUKCKNGFMIY-HAHDFKILSA-N 430.479 5.610 10 40 IKCB CCOc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OC(F)F)SC1=S 9634845 WDDTUFWFFRMUBQ-LFIBNONCSA-N 437.489 5.101 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C 14010541 JMSLRTAKOIUHQT-XYGWBWBKSA-N 440.543 5.588 10 40 IKCB O=C1C[C@H](N2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 21540852 ZIERHBJXMKLSJU-JICWPOMZSA-N 436.515 5.523 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 41082876 PQVRARDUERDCHX-FZAWDKCWSA-N 439.972 5.557 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCCCC4)cc3)cc2)CC1 44854078 RYZLZSPSUPSHJB-HSZRJFAPSA-N 433.640 5.790 10 40 IKCB CSc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 408984962 JLSGJGBTHFKTHD-QGOAFFKASA-N 438.379 7.187 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C(C(=O)OC)=C2C)cc1 408995789 DTHSEIOLARWEAB-WQRHYEAKSA-N 432.303 5.269 10 40 IKCB Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2ccc(N(C)C)cc2)c(C)c1 9129698 ABEQGPAHOAUDTA-MUUNZHRXSA-N 441.575 5.257 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 9233334 NSCTZCJJJRYTKM-XDHOZWIPSA-N 433.360 5.830 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 9291270 OSBAXHDCALOPJW-JNTYBJLZSA-N 449.923 5.008 10 40 IKCB O=C1C[C@@H](N2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 102989642 ZIERHBJXMKLSJU-QZBXLYOJSA-N 436.515 5.523 10 40 IKCB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219386603 ZKVUVGFHBOMNMB-STSQHVNTSA-N 431.045 6.324 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222874769 HEQCWEIEJSUSGD-FGZHOGPDSA-N 425.001 5.525 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2Cc2cccc(F)c2)C1=O 408882090 PMHZFJPKXBGQSN-XSFVSMFZSA-N 448.881 5.045 10 40 IKCB O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408895022 KDQDGZNXKWJLJS-AUWJEWJLSA-N 430.765 5.715 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccccc2)C(c2ccccc2)=NN1c1ccccc1 409079859 BVGXZUKCSCJNLF-QOMWVZHYSA-N 430.507 6.100 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1C 409127645 FANDIJUTGNCPJM-LPYMAVHISA-N 443.012 6.673 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)ccc1Cl 409154632 KNYZMOBCUYZKAV-DINDLPBHSA-N 429.225 6.747 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409330204 JSGHSAXRTGRWHU-REIAIGDLSA-N 427.591 5.895 10 40 IKCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4Cl)S3)CC2)cc1Cl 8741265 SDXXONTWFMSNTN-UNOMPAQXSA-N 432.376 5.094 10 40 IKCB COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)c1 408763208 RRBNYFCABOTTLI-HMMYKYKNSA-N 444.943 6.398 10 40 IKCB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(F)cc2)cc1 408763397 NVRJLQVONTYQPW-CIAFOILYSA-N 425.290 6.275 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1Cl 408784073 SFIKXIOEHBZYIL-CPNJWEJPSA-N 446.890 6.037 10 40 IKCB CC[C@@H](C)n1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 409036587 LSRCXQQGMXSDJS-YFEUJDIGSA-N 439.481 6.453 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)SC2=S)cc1 409052338 JPTADOWDJPYOCP-UCQKPKSFSA-N 449.572 6.115 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)c1 409086508 DZPKSACXKXYAJG-KGENOOAVSA-N 448.931 5.466 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409153365 HVOWVHLYWOCWMW-IGCXYCKISA-N 428.679 6.948 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Br)c2)SC1=S 409352670 YHQYRPKVOYBSIF-WQRHYEAKSA-N 448.407 5.951 10 40 IKCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc2ccccc12 1268990 LMGINEAFXPWKEC-ZZBINYBMSA-N 430.554 5.236 10 40 IKCB Clc1ccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)c(Cl)c1 6445340 DACBWLIZQKHTQJ-XWCIJXRUSA-N 442.127 6.425 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1 9311295 TYPSOTKBMYKGAB-OQKWZONESA-N 448.478 6.635 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 13802092 LGHZZTWJNIRMSS-WQRHYEAKSA-N 448.972 5.408 10 40 IKCB O=C1OC2(CCCC2)OC(=O)C1=Cc1c(OCc2ccccc2F)ccc2ccccc12 58866246 RSCGNUSYXORQJS-UHFFFAOYSA-N 432.447 5.312 10 40 IKCB COc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 100193173 HYYKKVKIIXTCSG-PXLXIMEGSA-N 449.963 5.840 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21 208221484 NQCUWXAXANQWPJ-RANIVTSPSA-N 440.996 6.299 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225013938 ICTLKFFMKUIRMT-RPBOFIJWSA-N 430.621 5.713 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)nc1 225021144 LPKZYNGEFPSGPW-RPWUZVMVSA-N 431.609 5.108 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)N21 260759066 DYUQYWLLJGAXCP-YSZBQJHXSA-N 446.576 5.167 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 409022837 GNCQHVUJAIHVRO-UYRXBGFRSA-N 449.890 5.085 10 40 IKCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 409339412 VDFNGMIWLIMVSZ-WJDWOHSUSA-N 426.401 5.382 10 40 IKCB COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccs2)sc2c1CC[C@@H](C)C2 2072946 WFEHVHBOQAKCFD-CYBMUJFWSA-N 447.025 6.461 10 40 IKCB aggregator Nc1cc2c(nc3c4ccccc4c(N)cc3[n+]2-c2cccc3ccccc23)c2ccccc12 3953839 GFUBCURMPIWSHN-UHFFFAOYSA-O 437.526 6.289 10 40 IKCB in-vitro Nc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 5008936 VJNNPHQBMGZVQG-UHFFFAOYSA-N 440.528 5.515 10 40 IKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 9315609 CRBAGAYXTWLVSR-UNKHORCTSA-N 441.402 6.835 10 40 IKCB O=C1c2ccccc2-c2onc3c(Sc4ccccc4)cc(N4CCCCCC4)c1c23 12376850 ZZWADUNOGUWMSX-UHFFFAOYSA-N 426.541 6.571 10 40 IKCB COc1ccccc1/N=N/c1c(/N=N\c2ccccc2)ccc2cc(S(=O)(=O)O)ccc12 13402297 IUZMVAFDXAIVQO-KEWZEWDVSA-N 446.488 6.926 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14406716 UZCCCEMNXRJMRC-HAHDFKILSA-N 445.902 6.010 10 40 IKCB CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 19643394 AMPZMSMSTQJJPQ-ULJHMMPZSA-N 445.494 5.370 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cccc(C)c4)C(=S)N=C3O)o2)cc1 59137827 BCJHAJSQKOBXJZ-CPNJWEJPSA-N 434.542 5.719 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225018664 SWLLFWJCRCULBX-UIOOFZCWSA-N 444.648 6.021 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 409168749 SFNZEAUXFMWRTL-UDWIEESQSA-N 440.330 5.807 10 40 IKCB O=C1NC(=S)S/C1=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 409339790 YMBBWOJYYZNCFR-NVNXTCNLSA-N 440.771 5.170 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(Cl)c1 1206362 HAVSHCATMXTJOJ-WOJGMQOQSA-N 442.905 5.914 10 40 IKCB CC(=O)[C@H](CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)Nc1ccc(Cl)cc1 2638984 FXGAZMXSOFDAFH-QFIPXVFZSA-N 440.902 5.303 10 40 IKCB CN(C)c1ccc(/C=C2\CCC(Sc3ccccc3[N+](=O)[O-])=C2N2CCOCC2)cc1 3174314 VQSZMMUCAJMSQP-HTXNQAPBSA-N 437.565 5.174 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)SC(=S)N1c1ccccc1 9310582 LNLRBKVBBMEXNB-LDADJPATSA-N 447.459 6.251 10 40 IKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O 16738297 VQZWPIWEDOSQMV-GEEUODSKSA-N 436.602 5.398 10 40 IKCB O=C1/C(=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1C[C@H]1CCCO1 16779300 AEGRPEZBLVBOQF-QDGQABMHSA-N 435.570 5.127 10 40 IKCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1 20238613 YKOHGHJKYPGZJI-NDENLUEZSA-N 436.514 5.565 10 40 IKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1 103918201 NZYFSVZRSKFCIT-SLMZUGIISA-N 437.587 6.275 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)cc2)CC1 219238079 VHEAOWLAJFIZLB-PKTZIBPZSA-N 433.640 5.646 10 40 IKCB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)CC2)cc1 219408333 LUXDYRFUQGLUPX-PKTZIBPZSA-N 433.640 5.321 10 40 IKCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223105235 LLHYPQHLXHIGOU-ZEQRLZLVSA-N 445.636 5.498 10 40 IKCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c2cccnc12 225657837 FAHTWXYEUJQQBD-GOSISDBHSA-N 434.609 5.527 10 40 IKCB COc1ccc(C2=C/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C(=O)O2)cc1 408741535 JKSLNVAIUVLMJG-HYARGMPZSA-N 428.484 5.573 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)cc1Cl 408812860 XKLKWUNXIRRAON-DEDYPNTBSA-N 448.906 5.255 10 40 IKCB COc1cc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc(OC)c1OC 846837 DQCPQSBZPWAWPX-RUZDIDTESA-N 443.499 5.091 10 40 IKCB biogenic,in-vitro COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1 869706 ODRSFGKEBWMYOS-SLSDLSHTSA-N 432.545 5.323 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1O 1827954 GEXZUQFRLQXQNL-OMCISZLKSA-N 426.346 5.504 10 40 IKCB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1cccc2ccccc12 1854298 VTWQYZGGWJJXOR-HYARGMPZSA-N 439.471 5.343 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1Cl 9232743 ZFJQJBOGPSSYAE-VGOFMYFVSA-N 430.765 6.061 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 16185206 NIQKTNDNVGZKMI-HMAPJEAMSA-N 447.878 5.633 10 40 IKCB CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 35042987 WNNYYIVPBLGUAS-JCMHNJIXSA-N 447.516 6.280 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2F)cc1 408762602 FGMVRTJRGBSRFK-PXLXIMEGSA-N 446.478 5.076 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408987803 YJCKAKAYJFXKEJ-LUJYGJGBSA-N 448.393 7.978 10 40 IKCB CCCCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)c1 8496224 RBGOLSCNOGALAQ-QJOMJCCJSA-N 428.488 5.710 10 40 IKCB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1cccc(Br)c1 9217898 XWFHJNGRVBLPKC-UHFFFAOYSA-N 445.386 5.066 10 40 IKCB COc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 14186268 RGAIBFLEFABAIK-UMFSSWHCSA-N 431.963 7.063 10 40 IKCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(OC(F)F)cc1 15154097 WAGCVUSAMQSCKQ-CQSZACIVSA-N 448.853 5.172 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccccc1 20522410 RXGRWRCYCNFSFQ-HMAPJEAMSA-N 435.545 5.806 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)C(c2ccccc2)=NN1c1ccccc1 40007076 LXLKORRVZMWPKZ-XHPQRKPJSA-N 448.497 6.239 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222620607 VBVDBWUUKPHVLF-WYRQLCSISA-N 430.621 5.949 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1OCC 408995801 DWUUPKKGISJWRG-JCMHNJIXSA-N 449.547 5.368 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 9188498 BSTRVTFSGIEFPG-KQWNVCNZSA-N 447.581 6.070 10 40 IKCB COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(C)c2c1 12541456 CYGORQXVRZTWBX-BYYHNAKLSA-N 443.459 5.961 10 40 IKCB Cc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc([N+](=O)[O-])cc1 59186128 ZFCOOTZHJQIWTG-GRSHGNNSSA-N 427.382 5.514 10 40 IKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1-c1ccccc1 224621809 YCXMRMOPGVBIKO-DNQXCXABSA-N 426.545 5.063 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 4090320 FMRLANWIXABMLO-OEMPCWLZSA-N 431.565 5.294 10 40 IKCB Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 8454120 NUNRFKNXAHVCNW-QHWMMSMNSA-N 444.600 6.239 10 40 IKCB CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 8691488 GLISAZSLBRIEOQ-NHOPXOSBSA-N 433.581 5.458 10 40 IKCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 8821411 UOQKIMZCLURQLW-ADFUCPMPSA-N 435.954 5.301 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1Cl 9291501 SEPXBSOCALWPHZ-YUVHXDDYSA-N 439.972 5.331 10 40 IKCB COc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)SC2=S)c1 12538128 CNXZELRSKOTQKS-FYJGNVAPSA-N 434.542 5.075 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=O)N=C3O)o2)cc1 59137943 ZFJVCYUNUHVQQW-DEDYPNTBSA-N 432.501 5.863 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc21 208442146 GBATVLNETXKMGA-MTJSOVHGSA-N 449.532 5.463 10 40 IKCB Nc1c(C(=O)Oc2ccc(F)cc2F)sc2nc3c(cc12)C[C@@H](c1ccccc1)CC3 215681900 QFQJZLOFNXDCDL-AWEZNQCLSA-N 436.483 5.648 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Cl)c3C)N21 222697289 GBSFSEJTVGCJNS-NLSFWIRASA-N 437.012 6.122 10 40 IKCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223014550 XWYUATCBCJDGMJ-ZCYQVOJMSA-N 448.636 5.033 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(O)cc1 224167326 FAQHOVBRQSMSFX-RPBOFIJWSA-N 440.572 5.372 10 40 IKCB CC(C)OC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S 6142163 KFNFMOHOFSMLAQ-VBKFSLOCSA-N 443.537 5.001 10 40 IKCB C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@@H](C)O1 13774779 UXLCMHBQTNGESC-RZJAJNODSA-N 436.455 5.045 10 40 IKCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=N)N12 13810829 LMSARDMLOJSSTD-JHBSOEOQSA-N 431.348 5.568 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(O)=NC2=S)cc1 59137973 AZJPCMWFIBISRK-XSFVSMFZSA-N 448.569 5.973 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1Cl 59515962 OFNOUWZQBXIXLS-ATVHPVEESA-N 446.728 5.370 10 40 IKCB Cc1ccccc1CN1CCC(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)CC1 219404968 KDRJQYKQSNHUPL-GGAORHGYSA-N 433.640 5.321 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 408902466 ODDPIOZGDLFFTR-BUVRLJJBSA-N 436.471 5.404 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 409130906 XDJGOTZUCFPFIF-MOSHPQCFSA-N 442.993 5.595 10 40 IKCB COC(=O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 409156024 KAJQTLBBVMPYOH-ZEVJAHDQSA-N 427.569 6.592 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)SC2=S)cc1 409338406 JKAAVSCVKSWDMQ-HAHDFKILSA-N 447.581 5.988 10 40 IKCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C 9293270 FXWYVWZXQBALBL-RDJYZGLESA-N 445.592 5.602 10 40 IKCB CCOC(=O)c1c(/N=N/c2ccc(C)cc2)c(C)n2c1-c1cc(OC)c(OC)cc1CC2 100227633 AZAIFBZRGMNSJW-CYYJNZCTSA-N 433.508 5.937 10 40 IKCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1 100525462 KQJTYOKTKSDBDK-AWZKZOKMSA-N 440.872 5.247 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)N21 260781612 UAVJJNWGUZEXSL-QQSVUBKYSA-N 444.648 6.394 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(Cl)cc2)cc1 408765535 LWTAPVHEWHBRDW-XQNSMLJCSA-N 431.923 5.249 10 40 IKCB CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c2C)cc1 409005828 GMDPYCHFUIVQLW-ULJHMMPZSA-N 430.573 5.936 10 40 IKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@H]21 409160091 XJECVCDLHIOSPC-WZOHSFFVSA-N 437.530 7.824 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 8683025 ABKYLIUHKASZEZ-MOSHPQCFSA-N 444.403 5.101 10 40 IKCB aggregator CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 8819004 CSIHGNZNMNVYRT-NCPSJORJSA-N 441.452 5.030 10 40 IKCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(-c2ccccc2)cc1 8820306 ONFXFLUKRDYHQC-LTGZKZEYSA-N 448.569 5.567 10 40 IKCB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2C1 12542969 CICOWIAJENFRTO-ZGKJFVQXSA-N 433.533 6.084 10 40 IKCB Cc1ccc(-c2csc(Nc3ccccc3)[n+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 15906845 MEESALJQUCAWEM-QHCPKHFHSA-O 432.525 5.396 10 40 IKCB Cc1cccc(NC(=O)c2cc(/N=N/c3ccc(O)cc3Cl)c3ccccc3c2O)c1 15945278 XVHIFQRNRHDRON-BYYHNAKLSA-N 431.879 6.881 10 40 IKCB O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 58845627 RKBNRHOYWHWFJE-YZUZCNPQSA-N 447.516 5.222 10 40 IKCB Cc1cccc(COc2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)cc2)c1 59135879 LEEQMLSZUNNWNP-XSFVSMFZSA-N 446.503 5.385 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(C)cc4)C(=S)N=C3O)o2)cc1 59137823 CIINUQYVBOVRFU-CPNJWEJPSA-N 434.542 5.719 10 40 IKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(Br)c1 103917112 POQVKOFFDLOTHS-BOPFTXTBSA-N 427.327 5.167 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc21 208191792 CKMNGQZWQNYXLK-FAPYRAKZSA-N 425.985 6.144 10 40 IKCB C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218607419 OEQHWTBMNZWZLS-YADHBBJMSA-N 444.644 6.706 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Cl)c1 408759095 XSXUMCYTABADGN-CIAFOILYSA-N 441.745 6.790 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C2=O)cc1 409242511 OBXKJZREHSCZBF-ZVHZXABRSA-N 427.548 5.421 10 40 IKCB Cc1cccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)n1 409343707 GAGLLQXRCABXHQ-VGOFMYFVSA-N 425.760 5.212 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccccc3)N(c3cccc(O)c3)C2=O)cc1Br 19646855 FSISJELSTTZDRA-PDGQHHTCSA-N 448.316 5.635 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 33311436 CXMSTJYKDWJTEE-HRIUQOHOSA-N 436.493 5.009 10 40 IKCB C/C(Nc1cccc(C)n1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 103920318 LEVNRMGUDGKBNH-PGMHBOJBSA-N 425.517 5.137 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1 222920160 WLAWGPRPRFPDFT-GOTSBHOMSA-N 439.028 5.771 10 40 IKCB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 222937857 PNZIDHDSCUSQIB-RLWLMLJZSA-N 436.640 6.255 10 40 IKCB CCOC(=O)c1ccc(-n2c(C)cc(-c3nc(O)c4c5c(sc4n3)CCCC5)c2C)cc1 408734561 IACBRPDOYFKMPW-UHFFFAOYSA-N 447.560 5.527 10 40 IKCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)cc1Cl 408903157 QDHTXMSUVXDKPD-JMIUGGIZSA-N 440.355 5.171 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)ccc1NC[C@@H](O)COc1cccc2ccccc12 1585944 IQPJXKXGWJWACE-OAQYLSRUSA-N 431.919 5.576 10 40 IKCB Cc1oc2ccc(O)c(CN3CCCCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 8612188 IOAMOZLUVOVISJ-UHFFFAOYSA-N 446.469 6.094 10 40 IKCB aggregator O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc2cc(Br)ccc2oc1=O 9030287 RYTBIWUVWKDPMH-OCEACIFDSA-N 448.276 6.223 10 40 IKCB Cc1ccccc1Nc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)s1 13063175 CEKOPNIEZKCNKG-UHFFFAOYSA-N 434.590 5.973 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(N(C)C)cc3)C2=O)cc1 408760512 ZXWNOLQXRLIBDT-SILNSSARSA-N 430.935 5.886 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1cccc(Br)c1 408844023 OHNQJWYWSJWAKE-KGENOOAVSA-N 447.332 5.601 10 40 IKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1 409151549 HQZOLZFSHSCHDU-OPYAIIAOSA-N 429.345 6.415 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1 6600591 RMNXRLLYEAHMNK-HZHRSRAPSA-N 446.934 6.124 10 40 IKCB CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2/N=N/c2c(O)ccc3ccccc23)cc1 8695030 PPSPYHDJQJRPBN-BYYHNAKLSA-N 429.436 5.113 10 40 IKCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nc2ccc(OC)cc2s1 13568338 AXBPCAWZKWDSRK-UHFFFAOYSA-N 438.578 5.228 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1 13758404 FHTHNPSINGICMV-AYRHNUGRSA-N 427.032 6.055 10 40 IKCB Cc1cc(-c2ccc(/C=C3\SC(Nc4ccccc4C)=NC3=O)o2)c([N+](=O)[O-])cc1C 33734553 OPTFVHNXGICAEP-MTJSOVHGSA-N 433.489 5.862 10 40 IKCB COc1ccccc1-c1c(C(F)(F)F)oc2c(CNC3CCCC3)c(O)ccc2c1=O 57312256 MYFXXSQEXGZQMX-UHFFFAOYSA-N 433.426 5.225 10 40 IKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 103450424 NSADOLHKNGIQCK-KGENOOAVSA-N 444.947 6.060 10 40 IKCB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219338743 JQOKOQILDZDYOK-IPVFLDMMSA-N 430.592 6.111 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1F 223096163 MTJDEEJHPJAJCZ-RPBOFIJWSA-N 448.611 5.933 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 409157950 QSVHYYHCRLBXIH-SWYRRKHMSA-N 428.557 7.022 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccccc1F 409214657 ZGPHSGOXXKTASK-WQRHYEAKSA-N 449.450 6.510 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 409329012 CAOFCRMQDPPRMN-UDWIEESQSA-N 435.526 5.355 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)c[nH]c12 409343657 FOAZVNDSXFSUMB-YVLHZVERSA-N 443.391 5.899 10 40 IKCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409351275 SXVSGRAXNCXYQK-KGENOOAVSA-N 449.553 5.188 10 40 IKCB Cc1nc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)c2c3c(sc2n1)CCCC3 2680300 MSTNTSWGKDYUNQ-UHFFFAOYSA-N 447.629 6.261 10 40 IKCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O 12629368 NYQFRFZKMRRJPS-MFOYZWKCSA-N 440.373 5.807 10 40 IKCB Cc1cc2nc3ccc(/N=N/c4ccc(N(C)C)cc4)cc3n(-c3ccccc3)c-2cc1=N 18069099 ZPCPSRTVUXLRKH-TUTQGXANSA-N 432.531 6.400 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c(C)c1 20324865 PCXKOLPSSKDYFI-MOSHPQCFSA-N 437.611 6.595 10 40 IKCB CCc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 41076354 MTRIEIVBGWNYDP-COGBYSKYSA-N 431.565 5.239 10 40 IKCB O=C1/C(=C\Nc2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 100057183 JHIZIDBLMIKXPV-WQLSENKSSA-N 445.184 5.163 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(I)cc3)cc2)CC1 218213396 XKJJIUZDZGKLDN-MRXNPFEDSA-N 448.348 5.019 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)c1 408877775 WYDWRVHQJOXJNY-UDWIEESQSA-N 448.881 5.045 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 408987011 UKGNTNJLQAXZOR-CJLVFECKSA-N 445.946 6.214 10 40 IKCB O=C(NN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S)c1ccc(Cl)cc1 409331835 OKQJLLIACCDWBA-MDWZMJQESA-N 443.764 5.193 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)cc1 409350666 RXWVSZUHRGLIRA-MOSHPQCFSA-N 435.530 5.159 10 40 IKCB Cc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1-c1ccc(OC(F)F)cc1 3351315 RWEZXOAJRHGKSR-UHFFFAOYSA-N 439.487 5.614 10 40 IKCB O=C1NC(=S)S/C1=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 8965098 DYHJHZBHOUOJLY-WWOVWOHCSA-N 441.581 5.531 10 40 IKCB O=C1N=C(O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1c1ccc(Br)cc1 17112557 BCVYNBUZXJFXJG-ATVHPVEESA-N 437.249 5.216 10 40 IKCB N=C1/C(=C\c2cccc3ccccc23)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 34798814 MUUMTIXIIRGZGV-DMNVVODESA-N 430.920 5.355 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(Br)c3)cc2)CC1 225654142 AXSNBYYFFZHSAF-MRXNPFEDSA-N 432.431 5.733 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 408934528 BDVQWTRPBIPLNA-HYARGMPZSA-N 448.881 5.500 10 40 IKCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C 409248827 RHIIFTHMUNIERE-CPNJWEJPSA-N 447.922 5.031 10 40 IKCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1 1268070 OPTZOWRHQAFATR-LWZSUBOQSA-N 442.993 5.516 10 40 IKCB COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1OC 9159467 LSRQIEBDTSTSST-HXUWFJFHSA-N 436.895 5.054 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)NC1=S 9264479 OSDRWOHDTRPKAZ-GZTJUZNOSA-N 437.952 5.015 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 33568315 ICANFXDIMLZIQX-NTEUORMPSA-N 442.345 5.319 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 41083385 IGISWWKTORIPLQ-RSRMSENYSA-N 439.972 5.475 10 40 IKCB COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CN=[N+]=[N-])[C@@H]3c2ccc(OC)cc2)cc1 97965266 AZWAPAPUXARMKU-QZYFCNJNSA-N 431.496 5.137 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222874228 YTYBKBREKSJABO-FGZHOGPDSA-N 425.001 5.525 10 40 IKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1ccccc1 224480865 HEASEZBLZRPDNX-DNQXCXABSA-N 444.991 6.011 10 40 IKCB O=C(O)c1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 408903009 UEQLHPBVQHXNGB-KGENOOAVSA-N 447.537 5.370 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F 408944787 VFBGHVFEZUWEDJ-KGENOOAVSA-N 448.881 5.500 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408985975 OGMANVXVRFPSEO-XMHGGMMESA-N 435.354 6.531 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1cccc(F)c1 409050035 SDOMJECHEVUXFN-MTJSOVHGSA-N 445.581 5.661 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccc2c(c1)OCO2 409329883 IHKGKTZDPKGORP-GRSHGNNSSA-N 425.462 5.220 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(C)C 409339435 VQHJZQJITJVSSU-BKUYFWCQSA-N 427.591 5.834 10 40 IKCB Cc1ccc(C)n1-c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Br)cc1 2142497 WMHNHYYKQBNBOU-UHFFFAOYSA-N 440.746 5.278 10 40 IKCB O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)C2CCCCC2)c1)C1CCCCC1 98087468 OOJRSPMIYZBCIO-QVIHXGFCSA-N 432.568 7.140 10 40 IKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4SC[C@@H](CC)N43)c2C)cc1 222696084 UDGOQJBMROSJDX-NIJXNBFTSA-N 430.621 6.031 10 40 IKCB Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)cc1 408846652 YBJSUDJFHDCDTI-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 408903551 ZPJRQBHANBLXMO-HYARGMPZSA-N 448.364 5.971 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409051138 ANDQTIQQQRCANB-JWGURIENSA-N 444.506 5.501 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)C(=O)NC2=S)c(C)c1 409149235 ZMDJCMUORXDYRX-KGENOOAVSA-N 444.556 5.075 10 40 IKCB Cc1cccc(NCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1C 3096292 XCSNFBRXRBNSKR-YVLHZVERSA-N 433.396 5.337 10 40 IKCB Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 8821823 KPOMPVQYUZPXJW-VXLYETTFSA-N 445.327 6.350 10 40 IKCB O=C1c2ccccc2C(=O)C1(Nc1ccc2c(c1)ncn2C1CCCCC1)c1ccccc1 12376029 IJANUYSVSCFLBJ-UHFFFAOYSA-N 435.527 5.928 10 40 IKCB Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\C2=Cc3ccccc3OC2)cc1 16733495 DJCGJPJXEUFAJW-JLPGSUDCSA-N 438.552 5.892 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 83333346 ATDRYCILIMFDAR-NDENLUEZSA-N 429.973 5.601 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 222700440 AMZQPMQIVMEBCH-QTLGCAHFSA-N 445.636 5.535 10 40 IKCB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C(C)C 225001644 CPEQMOPPHVFKBW-IBGZPJMESA-N 430.614 5.157 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21 225007602 JWLZFVIWOXUKMZ-DNQXCXABSA-N 432.637 5.628 10 40 IKCB Cc1cc(C)cc(N2C(=O)C(=Cc3ccncc3)C(=O)N(c3cc(C)cc(C)c3)C2=S)c1 408820126 UCZFSMFAFHZBQS-UHFFFAOYSA-N 441.556 5.064 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408998334 PZFFMGVKUWTNBI-PDGQHHTCSA-N 430.331 5.878 10 40 IKCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1Nc1nc2ccccc2s1 9914677 JHDLWGVJBXWCRU-ZROIWOOFSA-N 448.392 5.287 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(Br)cc2)cc1 408841282 FZCHMUGBEZNJQG-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1Cl 408984976 JUYBHHCLLVIXDY-WOJGMQOQSA-N 440.757 7.427 10 40 IKCB CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C(=O)N(c2ccccc2)C1=S 409021774 XZPJEGVHPFCOLN-QJOMJCCJSA-N 443.572 5.048 10 40 IKCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1ccco1 10215366 LDXBECMGKIJQKC-JXFKEZNVSA-N 445.700 5.643 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 27549501 KBMKPIOAPNWNMI-HUHIGAQKSA-N 444.969 5.749 10 40 IKCB O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Br)cc1 33695767 RKRIZGZWVBPFDI-UYRXBGFRSA-N 443.366 5.286 10 40 IKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1 40575461 DOPPPVQZDJUUKK-UHFFFAOYSA-N 449.142 5.687 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 106703427 HHCQYVLJJDRIOC-XKZIYDEJSA-N 436.964 6.292 10 40 IKCB COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccc(C)cc1 108214700 OWKZXEMVSAGZQK-HAHDFKILSA-N 430.529 5.665 10 40 IKCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223105054 LLHYPQHLXHIGOU-DNQXCXABSA-N 445.636 5.498 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223584992 SMYKHQZCDFLATG-PVFDWLMNSA-N 434.605 6.344 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1F 224164942 SJZHGTWELDGQCC-JWQCQUIFSA-N 442.563 5.805 10 40 IKCB Cc1cc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Br 225690523 JTHYAVSBKCAWEL-OAHLLOKOSA-N 432.431 5.480 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c1C 409134489 UDDFNHGEDIXTPB-LDADJPATSA-N 436.920 5.048 10 40 IKCB CCN1C(=O)/C(=C2/C(=O)N3c4c2cccc4[C@@](C)(c2ccccc2)CC3(C)C)SC1=S 2405346 SVVADTMLQTVOPT-GYKXOELXSA-N 448.613 5.113 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)c1 8872116 QGVFVZRSWVNPQA-ODLFYWEKSA-N 446.380 6.968 10 40 IKCB Cc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1 16349141 RFYBNTUVCRFBOJ-JCMHNJIXSA-N 445.565 5.616 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=O)N=C3O)c2C)cc1 33331256 CXJWZWOLHGIMRP-OEAKJJBVSA-N 427.504 5.526 10 40 IKCB Cc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C 59135927 LFXHFSDIRXGSMO-QGOAFFKASA-N 433.508 5.213 10 40 IKCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 96193275 UPBMSVSEVYKBGL-YBEGLDIGSA-N 433.291 5.287 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1nc2ccc(Cl)cc2s1 101122260 YBIMEKZKOUXMSD-NTEUORMPSA-N 447.745 5.431 10 40 IKCB Cc1cc(C(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1ccc(OC(F)F)cc1 102220792 ZXAKOLMYDMVRHS-BZSNNMDCSA-N 431.479 5.248 10 40 IKCB Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Br 260732808 BOKWGPPQOUOEHD-DOTOQJQBSA-N 446.458 6.041 10 40 IKCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2 408736655 ZAMLIFAYPYDGOD-ALTZYDRJSA-N 447.534 6.944 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 408784989 WOUIETCYXJETGB-BIWBSIMWSA-N 445.632 6.380 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 409141420 HWZJOLFHUFCDOR-PXLXIMEGSA-N 447.512 5.622 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 409367126 GBHADYAYYYKRNK-MFOYZWKCSA-N 434.344 5.593 10 40 IKCB O=C1C(=Cc2c(Cl)cccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 982329 IAFRHJSSHITIID-UHFFFAOYSA-N 437.282 5.577 10 40 IKCB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(Cl)c1 1180734 DKWYNTZCMPORAI-MHWRWJLKSA-N 437.373 5.223 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 2304906 XVNIFCHLUMFPEX-UNOMPAQXSA-N 446.330 5.659 10 40 IKCB CCOc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 3352444 SQURAXIHXRPWHK-UHFFFAOYSA-N 443.446 5.134 10 40 IKCB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)cc1 6014827 YPVVGGRJCWUGMN-UHFFFAOYSA-N 431.517 5.125 10 40 IKCB CCn1c(S[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccncc1 9469207 GAMXGICPYWEFOH-SFHVURJKSA-N 431.565 5.131 10 40 IKCB COc1cc(/N=N/c2c(O)nc3ccccc3c2O)c(OC)cc1/N=N/c1ccccc1 13597239 DHQPPOYLOLLOCW-PAMTUDGESA-N 429.436 6.494 10 40 IKCB Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)c1 19793118 BXDVDUZFEYJDRG-UHFFFAOYSA-N 447.453 5.912 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1Cc1ccccc1 23358630 KLNVGBWTPQFILY-ODLFYWEKSA-N 446.380 6.655 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c3ccccc3C2=O)cc1 33039479 JLWRNFTVVUDBFK-MTDXEUNCSA-N 446.550 6.439 10 40 IKCB COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](C)CC3=O)cc1OC 33715537 CZMSCMQQQCPIFB-AWEZNQCLSA-N 440.337 5.689 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(C)cc4C)=NC3=O)cc2[C@H](C)CC1(C)C 208311248 UUVUEENZQRBIKO-NLKUQUHMSA-N 433.621 6.498 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408752443 APJGOFIVLACKPR-KGENOOAVSA-N 445.946 6.445 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2c(OC(C)C)ccc3ccccc23)C1=O 408802412 DVVHFWAFTHANNI-CPNJWEJPSA-N 448.906 5.255 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c([N+](=O)[O-])cc(C)c(C)c2[C@H]2C=CC[C@H]21 409172136 IILZURCHKMRPLY-BXTJHSDWSA-N 429.314 5.809 10 40 IKCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)cc1 409237076 VUTMEDJKWAYAIW-DEDYPNTBSA-N 434.492 5.040 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(OCC)c3)SC2=S)cc1 409349059 UJMVWEFWPYIWTE-KGENOOAVSA-N 443.590 5.677 10 40 IKCB COc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1OC 8424939 LMOFVLWTPSNGII-MOSHPQCFSA-N 448.902 5.918 10 40 IKCB COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 8836406 QMJYALQHUQUUHD-DFIYOIEZSA-N 425.484 5.519 10 40 IKCB COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC 12469706 UJBJTLCKAAEMCS-SXGZJXTBSA-N 434.761 6.255 10 40 IKCB COc1ccc(C2=COC3(CCN(C(=O)c4cccc(-n5c(C)ccc5C)c4)CC3)C2)cc1 13566344 UFTIXVQESKPIET-UHFFFAOYSA-N 442.559 5.539 10 40 IKCB COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 59267091 NUDPKGCOKVZIDG-VBHSOAQHSA-N 431.286 5.201 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OCC 409207483 VAVZQQPFECRGEY-ZHZULCJRSA-N 430.595 5.220 10 40 IKCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)c1 409231635 DPHPDXBWTMLDCQ-PXLXIMEGSA-N 443.572 5.049 10 40 IKCB C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(Cl)c(Cl)c3)c2C1 2512797 LSNOPVZBXBQPRS-GFCCVEGCSA-N 449.175 6.979 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Br)cc1 9311245 MOYVLFAOUVSFHP-NBVRZTHBSA-N 436.736 6.574 10 40 IKCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)cc1OC 33709331 KNGWUHZAKWELPJ-GQFJFNLSSA-N 444.984 6.225 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 34689873 HSKFPLZQONRUPR-YHRCQRQKSA-N 433.581 5.493 10 40 IKCB O=c1oc2c(CN(Cc3ccccc3)Cc3ccccc3)c(O)ccc2c2c1CCCC2 54219859 DYIRXYJSZROQEG-UHFFFAOYSA-N 425.528 5.580 10 40 IKCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 58865987 ZYKKZOYFCHFTGZ-UHFFFAOYSA-N 433.287 5.326 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 58884040 FQHFUVJESKYQOS-PDGQHHTCSA-N 430.331 5.994 10 40 IKCB CC(=O)Nc1cccc(N/C=C2/C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)c1 101125577 VDZZEBVSBXWHKC-OQLLNIDSSA-N 437.714 5.324 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 223521087 DFLYMZBJJFVMPQ-QRVIBDJDSA-N 447.554 5.637 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(=O)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223613397 PIECXKZCPLFOBZ-PVFDWLMNSA-N 434.605 6.737 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1 408753778 IBQISSMBXAJXJT-XMHGGMMESA-N 449.362 7.043 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc(C)c2)ccc2ccccc12 408905070 SQRJOLNHPWNLLO-NLRVBDNBSA-N 432.523 6.533 10 40 IKCB Brc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 409152895 GNZHSXIVFVUGBX-FBLLAGFSSA-N 448.429 7.568 10 40 IKCB Cc1ccsc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 409372176 PGUVTWLWQDUOLT-NTUHNPAUSA-N 444.390 5.301 10 40 IKCB O=S(=O)(O)c1ccc2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(O)ccc2c1 4758264 ANKNQAUREHXSDZ-QSZPNPOGSA-N 432.461 6.623 10 40 IKCB CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(OC)cc1OC 13509926 YCUSXVAMOSOZGQ-UHFFFAOYSA-N 443.544 5.237 10 40 IKCB CCc1ccc(/N=N/C(Sc2nnc(-c3cccnc3)o2)=C(\O)c2ccccc2)cc1 22079425 KMFLDWDDNRUCET-UNGCUCNDSA-N 429.505 6.454 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 222770688 JBLBHNZIQDQURV-NHCUHLMSSA-N 444.526 5.500 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3C)C2=O)cc1OC 408752190 BYZAMDFASMTNCD-XSFVSMFZSA-N 431.919 6.137 10 40 IKCB O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(C(F)(F)F)=NN1c1ccccc1 408971835 QTEFVIOUYVLLRT-ATVHPVEESA-N 448.853 6.433 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)=O 409348453 NOURFJNLXDMEOG-NDENLUEZSA-N 427.547 5.033 10 40 IKCB Cc1ccc(/N=N/c2cc(-c3ccc(C(=O)O)cc3)ccc2-c2ccc(C(=O)O)cc2)cc1 2048532909 QLVOBVYOKPYEMV-ZQHSETAFSA-N 436.467 7.141 10 40 IKCB COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 4149984 QUBLTLNFWVSHCQ-SLSDLSHTSA-N 432.545 5.323 10 40 IKCB O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 8872098 WQVSHHWOOBEAON-RIYZIHGNSA-N 433.398 6.130 10 40 IKCB Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 14165829 NGBAUQBXUSMAJE-YIGJPRQDSA-N 449.335 6.370 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCCCC4)cc3)cc2)C1 44854988 JFLJUAYCGRCPBG-DHIUTWEWSA-N 433.640 5.790 10 40 IKCB COC(=O)c1ccc(COc2ccc(C3Nc4cccc5cccc(c45)N3)cc2OC)cc1 70453912 VJXGOQNSTFMEAL-UHFFFAOYSA-N 440.499 5.750 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1O 222821522 AFPJGWPMWMOHOB-FGZHOGPDSA-N 441.000 5.229 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(F)c1 225015205 VVTYFBBXHOEWSI-ZEQRLZLVSA-N 434.584 5.543 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1cccc(Cl)c1 408601988 MSNOJZJSNMAUMQ-ZDLGFXPLSA-N 433.888 6.284 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 409202769 SBTQPVUCTNSFBS-JAIQZWGSSA-N 443.355 6.642 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(Br)c1 3024678 LNHYYKPPYUMPMJ-NSIKDUERSA-N 445.190 6.162 10 40 IKCB Cc1ccc(Nc2cc3c(nnn3-c3ccccc3C)c3c2C(=O)c2ccccc2C3=O)cc1 9065106 QTOMMYREEILLPG-UHFFFAOYSA-N 444.494 5.556 10 40 IKCB COc1cc(OC)c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc1Cl 10185985 KGFYUTFYRVIVBT-UHFFFAOYSA-N 440.883 5.316 10 40 IKCB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(O)cc1 13098251 OIXVANIHQNOOPV-UDYULJFISA-N 431.492 5.102 10 40 IKCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc2ccccc2c1 59109548 FWXXBAQLWRJSTH-LFVJCYFKSA-N 441.531 5.882 10 40 IKCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)cc1 59135348 KLXZVWSEUJRWRO-HYARGMPZSA-N 447.466 5.139 10 40 IKCB C/C(Nc1ccc(Oc2ccccc2)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112296353 NYICKCAPXGHTQT-MEFGMAGPSA-N 445.522 6.616 10 40 IKCB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)ccc2c1 260798393 SOEOTUPBGICJPN-OALUTQOASA-N 438.593 5.124 10 40 IKCB COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(C)c1 408742040 MPQGLMJOENKGLD-FYJGNVAPSA-N 432.903 6.217 10 40 IKCB O=C1NC(=S)S/C1=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12 408758932 UZXAZQHOSMQXHN-HMAPJEAMSA-N 441.533 5.701 10 40 IKCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1 409347482 PZIAYWGFUNECSI-YBFXNURJSA-N 439.489 5.498 10 40 IKCB CCCn1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 409349469 POCSZROLNUIGTE-VXLYETTFSA-N 447.412 6.764 10 40 IKCB CSc1ccccc1NC(=O)CN(C)Cc1c(O)ccc2cc(Br)ccc12 3338189 QHYBRJKMBJXNSG-UHFFFAOYSA-N 445.382 5.100 10 40 IKCB CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O 9188828 CIHYARGXOXVYOI-JWGURIENSA-N 433.554 6.283 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccnc1 13799757 OSSMVEKTMIYETA-HMMYKYKNSA-N 435.439 5.721 10 40 IKCB CSC(=S)n1nc(-c2cccs2)c(/N=N\c2ccc(Cl)cc2)c1C(F)(F)F 104235729 XWAHNYPYTSZEFU-DQRAZIAOSA-N 446.932 7.195 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(F)c3)C2=O)cc1OC 408760732 FCXAHHGSKLMRHJ-LDADJPATSA-N 435.882 5.968 10 40 IKCB COc1ccccc1C1=N/C(=C/c2cccc3ccccc23)C(=O)N1c1ccc(Cl)cc1 408844484 TVZKTLVOKCVOCL-JJIBRWJFSA-N 438.914 6.336 10 40 IKCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1 408984524 HWQYPZZRULITLI-CPNJWEJPSA-N 436.338 6.863 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 994902 LWBURZOPYYXGCJ-UNOMPAQXSA-N 438.486 5.269 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC[C@H]2C)c1O 2200155 ZNAPBJMDFYLPRS-OAHLLOKOSA-N 434.561 5.712 10 40 IKCB biogenic Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1Cc1ccccc1 13810752 TXJSTVUFYVUMNT-NEAWXCLQSA-N 438.556 5.458 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 13940207 RKXSKSNOVJJCRZ-HHGYXRTLSA-N 449.555 5.433 10 40 IKCB O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12 16050864 PFMBLXHALVVYAK-SRZZPIQSSA-N 447.307 6.084 10 40 IKCB COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1 95477854 AIRCXSCRYNZKGB-UHFFFAOYSA-N 431.448 5.238 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 103557477 DFFSHWYPKPHEFO-PXLXIMEGSA-N 447.332 5.834 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(C)cc4C)=NC3=O)cc2C(C)=CC1(C)C 208505699 FOYSFTAEDXRKED-UCQKPKSFSA-N 431.605 6.408 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 408994806 JJDZXHNNZZFORB-JJIBRWJFSA-N 446.934 5.972 10 40 IKCB CC[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 409009851 AAONTRWJPNPEED-SJWFJVLYSA-N 433.371 5.691 10 40 IKCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 843473 OHWWNQZULSLVNS-LFVJCYFKSA-N 427.504 5.077 10 40 IKCB O=C(NN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)c1ccccc1 2332827 UGPUWHAOYUZSKG-HKWRFOASSA-N 432.526 5.025 10 40 IKCB Cc1cccc(N2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc(N(C)C)cc2)c1 2745741 NBGTUDUADJRVBH-JOCHJYFZSA-N 436.353 5.595 10 40 IKCB O=C1c2ccccc2C(=O)[C@@H]2[C@H]1[C@H](c1ccccc1)N(c1ccccc1)[C@@H]2c1ccccc1 4822482 FPPDSNPJQKKTIP-KMKVIZFGSA-N 429.519 6.301 10 40 IKCB O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(Cl)cc1 15161948 WKHHQLYYQNVCOK-YHDSQAASSA-N 445.946 5.533 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1Cl 17086117 ACPLARRZRGBBHH-STZFKDTASA-N 432.907 5.734 10 40 IKCB O=C1N=C(N2CCCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 27018088 GKRXHLBFRYKRCQ-HKWRFOASSA-N 434.590 5.447 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 59862198 FAHZKBXNJOQPOS-FYJGNVAPSA-N 432.863 5.426 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 222700383 AMZQPMQIVMEBCH-UKDVSSAZSA-N 445.636 5.535 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C 223343082 PMYIYZBHALOIHH-JWQCQUIFSA-N 442.588 5.563 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Br)cc2)c1 408840565 CJNAPBVSBSUTNX-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409052128 BWJNAKBOJOWEAA-JLPGSUDCSA-N 444.506 5.501 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409349850 WHKUWAUJKWBFSS-LDADJPATSA-N 437.508 6.290 10 40 IKCB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 2084393 UOTONDINSBJZLF-QHCPKHFHSA-N 449.624 6.170 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 2682738 LGPWBLSLPNPWQU-MOSHPQCFSA-N 441.961 6.405 10 40 IKCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(Br)s1 13566447 MJSWILBDHLJFTE-UHFFFAOYSA-N 448.323 5.191 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S 20324844 OWNPQEMEVXLPSE-ZHZULCJRSA-N 437.611 6.540 10 40 IKCB CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 33391819 BRYDTZLOWJWVDZ-DBZAVIBRSA-N 441.618 5.879 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1 33559788 UIFICJWPTFMSSX-GQZSXMDHSA-N 439.972 5.475 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc3ncccc3c2)cc1 408774292 YYMVJMISUBZWGE-PXLXIMEGSA-N 433.467 5.923 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)cc1 408841426 JAFKJDCETDQSES-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408903183 VHRZLNQGJKACBA-CIAFOILYSA-N 439.005 6.462 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1C 408961048 QJFJUVILAMBBTG-UCQKPKSFSA-N 431.511 5.197 10 40 IKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCCCC1 409382048 KAXIHZIKLSZQHM-ZRCGQRJVSA-N 437.381 5.902 10 40 IKCB O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c4ccccc34)cc2)cc1 4758332 PSQAMBOKSPAGRZ-QSZPNPOGSA-N 432.461 6.623 10 40 IKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1cccc(Cl)c1Cl 100087688 HZHUDUDXCWBVFO-YFHOEESVSA-N 449.552 6.672 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4)c3C)N21 222697415 SKTZDCCDOILRJT-YFXJRYMSSA-N 437.012 6.122 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(F)c1 224165278 WADNPAUUJKIUKX-LOSJGSFVSA-N 442.563 5.805 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(C)c1 408741010 GJXOSMPBIRJPAG-HYARGMPZSA-N 446.930 6.607 10 40 IKCB Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C 409341903 CGEYJWKMGKFLRP-NDENLUEZSA-N 436.514 5.877 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 640822 MDATXUDGEVVEJN-QGOAFFKASA-N 439.298 5.034 10 40 IKCB Cc1noc(C)c1CSCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 3448455 OOOPTCXOANFSLA-UHFFFAOYSA-N 446.956 5.012 10 40 IKCB CCOc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1 6600770 BWYOCCPQYZRXGD-JCMHNJIXSA-N 428.484 5.654 10 40 IKCB CN(C)c1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1 8738747 WCJVBQXJIKSILO-GDLZYMKVSA-N 430.555 6.336 10 40 IKCB CC(/C=C1\SC(=S)N(CCCC(=O)N2CCCCCC2)C1=O)=C\c1ccccc1 8820575 HZKYNLQXGIIVKM-MOKUSBMGSA-N 428.623 5.017 10 40 IKCB Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Br)cc4)o3)CC2)cc1 8843401 ABNOLAKKOIWOEF-UHFFFAOYSA-N 445.357 5.346 10 40 IKCB CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1 9193121 KOSOUIMHJOUMRJ-UYMWZHIRSA-N 447.608 5.883 10 40 IKCB Cc1cc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(C)n1-c1ccccc1 12638760 OYGAHIXUAFOJCB-NDEPHWFRSA-N 448.522 6.356 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)Nc1ccc(Cl)cc1Cl 16476970 TYRMIMUHKLTDOJ-UHFFFAOYSA-N 435.763 6.687 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1 16678587 HVPHUEJJKKFYMU-UHFFFAOYSA-N 444.491 5.810 10 40 IKCB CCN(CC)Cc1cc(C)c(O)c(/N=N\c2ccc3ccc4cccc5ccc2c3c45)c1C 17120783 BEOAEFJVTMETQC-KTMFPKCZSA-N 435.571 8.164 10 40 IKCB Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C(=O)N(c3ccc(C)cc3)C2=S)cc1 59484917 ADBXVHJWWFDMEX-UHFFFAOYSA-N 446.959 5.705 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 85382197 YRCNNJNWLBMISR-PCLIKHOPSA-N 439.515 5.127 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 100552407 YBIMEKZKOUXMSD-ZROIWOOFSA-N 447.745 5.431 10 40 IKCB CCOc1ccccc1/N=N\c1c(-c2ccccc2)nn(C(=S)S)c1-c1ccccc1 104230963 AJHIZQHMDVPZGD-QPLCGJKRSA-N 444.585 7.094 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2Cl)cc1 108278047 IOKQXQGQUJODAB-HMAPJEAMSA-N 434.948 6.310 10 40 IKCB O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 169616526 JMZLFTVBMPZFSD-FMWKFLBASA-N 445.946 5.533 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21 208460037 SLJPEYQUUBHHDX-UUYOSTAYSA-N 436.552 6.002 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222874118 YTYBKBREKSJABO-YADHBBJMSA-N 425.001 5.525 10 40 IKCB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225669999 SJOAJADKYSFKBL-HZPDHXFCSA-N 446.016 5.411 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(SC)cc1 408769001 KVCYHYHUAQLDBC-YBEGLDIGSA-N 434.344 5.593 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1[N+](=O)[O-] 408970118 BAFWBQPVAPJRKL-ATVHPVEESA-N 441.365 5.512 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 2303805 MJSLSMDTFZINHT-WQRHYEAKSA-N 430.331 5.994 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC 3768836 SWGJWFJCQOZXDA-XDHOZWIPSA-N 448.009 6.160 10 40 IKCB CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S 6353538 FXSJOFUVHJHZGU-UDWIEESQSA-N 426.994 5.873 10 40 IKCB O=S(=O)(c1ccc(/N=N/c2cc(Cl)cc(Br)c2O)cc1)N1CCCC1 8400617 BKFKLCBVWMAIBO-FMQUCBEESA-N 444.738 5.008 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1 13774518 UEDVNXCSUFTGGE-RGEXLXHISA-N 445.009 5.523 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCOc1ccc(Cl)c(C)c1 13942356 JHVDEJMAEGYQOJ-HAVVHWLPSA-N 446.934 5.912 10 40 IKCB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2F)N3)c1 80324593 FLILAMIIHKBRPE-UMEGOILYSA-N 434.536 5.761 10 40 IKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1 103917971 SZGJFXDCGRUJEH-QNGOZBTKSA-N 431.964 5.638 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)SC2=S)cc1 113836758 FKFQCQRGRMZDKY-CPNJWEJPSA-N 439.583 6.154 10 40 IKCB CCN(CCNC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)cc1 225793551 OKYMPTJRXRIVIQ-UHFFFAOYSA-N 426.811 5.224 10 40 IKCB CN(C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 408734669 BOJYDFIGGUEHSW-UHFFFAOYSA-N 428.495 6.758 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2cccc(C)c2)cc1 408756908 VDNFTUVSZUHULO-XIEYBQDHSA-N 425.532 5.294 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408764937 UIKHGKKUDKQPOV-JXAWBTAJSA-N 432.863 5.728 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)OC)ccc3C)C2=O)cc1 408985473 MIHBBIUMGANPFW-XQNSMLJCSA-N 439.511 5.652 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C 409032900 JTYCRKPNARHILO-GXDHUFHOSA-N 446.375 5.740 10 40 IKCB CCN(CC)CCC[C@@H](C)Nc1c2ccccc2nc2c(C)cc(Br)cc12 6382066 ZASRUGBLGJMDEL-QGZVFWFLSA-N 428.418 6.381 10 40 IKCB O=[N+]([O-])c1ccc([C@@H]2[C@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 8935290 VUGPWWVPSRHYQI-DJIOSBNXSA-N 449.348 6.252 10 40 IKCB Cc1cccc(C)c1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)C1=O 15412952 QVDDYUPNYYXYGV-RUZDIDTESA-N 447.966 5.144 10 40 IKCB O=C(Nc1ccc(/N=N\c2ccccc2)cc1)c1sc2cc(Cl)ccc2c1Cl 100548774 KZHAEINZUXXFDZ-QPLCGJKRSA-N 426.328 7.876 10 40 IKCB C/C(NCc1ccc(Cl)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112295705 YQMNICYGOSRRNL-JWGURIENSA-N 446.894 5.063 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)S2)cc1 208312744 KSCMMWJSUILPFI-XMSCMFJESA-N 449.620 6.280 10 40 IKCB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c1 224233380 UXGVFKOEGQWFCM-IZZNHLLZSA-N 438.600 5.975 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 408902687 PXGSMRVFRXLECM-MTDXEUNCSA-N 441.534 6.649 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@H]21 409163885 ZBLWEULDMALEBJ-WZOHSFFVSA-N 432.361 6.951 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 409253395 UIJBQKHUNWFHRF-RGVLZGJSSA-N 440.330 5.494 10 40 IKCB O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1C1CCCCC1 409351282 TUMHUZZGTDATLI-YBEGLDIGSA-N 449.960 5.595 10 40 IKCB COc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1Cl 14153063 MYYRKMXMRLNUEZ-UHFFFAOYSA-N 447.318 5.126 10 40 IKCB C/C(NCc1cccs1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17097075 KPZGRENETXWJKU-HKWRFOASSA-N 430.558 5.173 10 40 IKCB CC[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408904151 FNUIYUIAPXHMQM-XWAFYUISSA-N 443.341 5.441 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 4509162 BEXGMKKNNAZJIV-MKMNVTDBSA-N 434.291 6.418 10 40 IKCB Clc1cccc([C@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)c1Cl 6475254 OOLWDDHOESJTDM-NEMLAXLQSA-N 444.405 8.041 10 40 IKCB Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O)c2ccccc12 16779676 XJSXRJVNVRFZPI-UHFFFAOYSA-N 426.925 5.407 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC 35039112 JYRYEXDCSVTAPA-FYJGNVAPSA-N 441.574 5.483 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 35039890 LLDPSDMLHKNHAK-MOSHPQCFSA-N 436.514 5.823 10 40 IKCB CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 89677971 VNTGDQIZCUIUDE-VWLOTQADSA-N 436.515 5.251 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4ccc(C)cc4C)=NC3=O)cc21 208450416 MMXXAYPMKKTBGW-QRVIBDJDSA-N 431.605 6.326 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCSc3ccc(Cl)cc3)cc2)C1 260511800 SGHQTZPQPKBVQR-RBUKOAKNSA-N 431.045 6.326 10 40 IKCB Cn1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2426448 XBIGMQIORORRDX-YVLHZVERSA-N 429.364 5.347 10 40 IKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1Cl 100524776 WLAXUCGCHMJPOO-LRDZBDLTSA-N 430.320 5.992 10 40 IKCB CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5o4)c(=O)oc23)C1 100650995 ZQZBEZCZTRKITD-CRYYWNKWSA-N 444.531 5.707 10 40 IKCB O=C(Nc1ccc(Cl)cc1)c1cc2cc(/N=N\c3ccccc3Cl)ccc2oc1=O 104293076 ARPLBCSMWDQQSD-RQZHXJHFSA-N 438.270 6.768 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 222963486 GMEZPMAWOOFOPK-RPBOFIJWSA-N 432.637 5.824 10 40 IKCB O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc(Cl)cc1 409329864 HXRGYVXXCNNWJW-FRKPEAEDSA-N 449.782 5.990 10 40 IKCB CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 12564792 SETCPTBRVZSRSK-NLRVBDNBSA-N 432.527 5.908 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3cccn3-c3ccc4ccccc4c3)C(=O)N=C2S1 41082934 ITRYBEGQQLELSR-FTNSYOLJSA-N 427.533 5.296 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3OC(F)F)SC2=S)cc1 97993225 KNBOSRBWPZSCTP-NVNXTCNLSA-N 443.443 5.604 10 40 IKCB CCN(CC)c1ccc(CNC(=O)COc2ccc(C(C)C)cc2Br)cc1 223922371 YZZGJYLDRHSVPZ-UHFFFAOYSA-N 433.390 5.114 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224163516 BLUIHMSJZVTQRX-CLJLJLNGSA-N 438.600 5.975 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1OC 408760799 GEBSFEVESXLJOP-DEDYPNTBSA-N 436.870 5.331 10 40 IKCB CCCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S 409328335 SJHDPZVHYRRXNN-NDENLUEZSA-N 426.994 5.954 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1 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426.432 6.430 10 40 IKCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccccc5)o4)S3)CC2)c1 6154195 LPBWDEBVHDXHQU-HAVVHWLPSA-N 429.545 5.048 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1 9235277 FSPWYLOAZOOUMS-SMKDVUIYSA-N 439.544 5.070 10 40 IKCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(Cl)cc4)S3)CC2)cc1Cl 9370941 IMVJTINESACSRJ-XDHOZWIPSA-N 432.376 5.094 10 40 IKCB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)CC2)c1 219406670 VDXLHKJWRIYRCC-DHIUTWEWSA-N 433.640 5.321 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C 222703124 JDQONKJAVOYORL-LJGDZFJRSA-N 444.648 6.339 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 223095040 CAUREACGIPCJMG-CLJLJLNGSA-N 444.648 6.103 10 40 IKCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224173355 GDWQXUNQNSZGPO-ZEQRLZLVSA-N 439.588 5.370 10 40 IKCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 230817623 WDKDTZPQNQPLJA-GZTJUZNOSA-N 443.311 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COc1ccc(CN2C(=O)[C@H](Cc3ccccc3OCc3ccccc3)SC2=S)cc1 409149997 XTZQBPDTLXZCHZ-QHCPKHFHSA-N 449.597 5.246 10 40 IKCB COc1ccc(NC(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2)N3)cc1 4062915 VSNYNWKZXCVVPL-FBLLAGFSSA-N 430.935 6.427 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 6645263 LPDGDEYQTPGUII-XDHOZWIPSA-N 427.934 6.014 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(C)cc1 16713248 PVSTUHJLJSYHEA-HZHRSRAPSA-N 427.460 5.288 10 40 IKCB CN(c1ccccc1)c1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1[N+](=O)[O-] 96669695 YCBRUIXQSQPSNC-RCCKNPSSSA-N 436.537 5.255 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 214828830 HHILIZGALNPZFW-UDWIEESQSA-N 447.387 6.139 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)CC 408902029 JXTUUAMEFJWUTE-ITRAFESCSA-N 448.009 6.322 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c1C 408961028 PXYWWNBNEUZGKK-IWIPYMOSSA-N 427.548 5.366 10 40 IKCB 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CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cccc(Cl)c4C)=NC3=O)cc21 208449667 KECBZDJIGYWRTR-MTJSOVHGSA-N 437.996 6.363 10 40 IKCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 223199735 IXFXBXXOHOILLK-ZBLYBZFDSA-N 434.624 5.837 10 40 IKCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1 1219222 CTMNAPHEFBKCKH-UNOMPAQXSA-N 438.486 5.269 10 40 IKCB Cn1cc(C=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)c2ccccc21 2196545 NNAPAQGEWSZMSC-UHFFFAOYSA-N 433.552 5.018 10 40 IKCB COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)o2)c([N+](=O)[O-])c1 8425794 WPQHWAMIBCDLMB-MTJSOVHGSA-N 431.448 5.286 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC 8821250 VVPSBYRVDOAYAE-STZFKDTASA-N 441.574 5.483 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 32101738 TYGVHYCUCBOMAL-ZHZULCJRSA-N 445.431 5.044 10 40 IKCB Cc1ccc(COc2cccc(/C=C3/SC(=S)N(c4cc(C)ccc4C)C3=O)c2)cc1 35039326 ZEDGMCJINYWZRM-BUVRLJJBSA-N 445.609 6.597 10 40 IKCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C 59136183 QZVBHDHDWWJUCA-XMHGGMMESA-N 447.535 5.467 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccn1 223086992 PSOWXIVHAQFIHS-BJKOFHAPSA-N 431.609 5.189 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C(=O)O2)cc1 408744619 YXBDHLKINWSHDI-LDADJPATSA-N 444.399 5.585 10 40 IKCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 408757527 ZGGWFEPZUSTVEV-CJLVFECKSA-N 446.348 5.350 10 40 IKCB O=C1/C(=C\c2ccccc2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 408844055 OJNIYHUCUBODQS-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB Cc1cc(-c2ccc(/C=C3\SC(=S)N(CC(C)C)C3=O)o2)ccc1Br 409140514 FDTLXIJCUXQMHG-MFOYZWKCSA-N 436.396 5.875 10 40 IKCB O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1C1CCCCC1 409209662 HNGVIHURLMVVLI-LDADJPATSA-N 441.534 5.316 10 40 IKCB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc(OC(F)F)cc1 3351900 XLILKDZTQZTYCE-UHFFFAOYSA-N 445.447 5.314 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1 9188482 FFQSIPPMBPKGLJ-HAHDFKILSA-N 431.582 6.288 10 40 IKCB Cc1sc2nc(CN3CCCC3)nc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2c1C 12514764 ICSRUIYLOFFEPO-UHFFFAOYSA-N 444.608 5.074 10 40 IKCB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 13141791 NEXMABDKXMDDLX-UHFFFAOYSA-N 446.286 5.169 10 40 IKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(Cl)cc3C)C2=O)cc1 17097739 AJGNXWQBNZFVPH-QJOMJCCJSA-N 431.923 5.794 10 40 IKCB COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2 20220620 DAPUUHYIPNHVQJ-IAGOWNOFSA-N 449.613 5.584 10 40 IKCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 51364656 CSIHGNZNMNVYRT-GRRFOWRYSA-N 441.452 5.030 10 40 IKCB CN(C)c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1Br 59418189 KLIUFRPGQYVLSJ-LFIBNONCSA-N 425.417 5.049 10 40 IKCB O=C(OCc1ccccc1)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 96234405 SHZPOBPNFYKBBT-RCCKNPSSSA-N 431.538 5.449 10 40 IKCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1 112290102 YKBOQRLVWNFSGS-KQWNVCNZSA-N 428.448 5.496 10 40 IKCB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)CC2)cc1 219408418 LUXDYRFUQGLUPX-DHIUTWEWSA-N 433.640 5.321 10 40 IKCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 222788460 PIFBDGOOAPETKQ-RPBOFIJWSA-N 447.652 5.328 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C 223614309 HKJZHWXWEIXSJG-QHSFOXILSA-N 448.632 6.732 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(/N=N\c4ccccc4)cc3)C2=O)cc1C 408536461 WOALHUIMILIVGB-CQDMZVLKSA-N 439.475 5.298 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2OC)cc1 408846731 YUFFVBAZEMZXDN-CJLVFECKSA-N 432.907 5.582 10 40 IKCB COc1ccc2ccc(OC)c(/C=C3\SC(=S)N(Cc4ccc(C)cc4)C3=O)c2c1 409054962 WRTRGICDQLCKJO-XKZIYDEJSA-N 435.570 5.567 10 40 IKCB O=C(O)c1cc(-c2ccc(/C=C3\SC(=O)N(CC4CCCCC4)C3=O)o2)ccc1Cl 409129733 LZBKKIWGSMOZHL-ODLFYWEKSA-N 445.924 5.915 10 40 IKCB O=C1NC(=S)S/C1=C\C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 2157383 SRJBWPHRVUAJIX-PHCAOYFPSA-N 427.550 5.654 10 40 IKCB Cc1cc(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(OC(F)F)cc1 3306191 JJVLKRPEIMSSOT-OAHLLOKOSA-N 435.923 6.712 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@H]1CC=C[C@H]1[C@@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8443282 LWUPMVGMGQEQBX-MSBWEVJISA-N 448.360 6.042 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)SC2=S)c(C)c1 9849737 CANOLJBUFVWIDN-WQRHYEAKSA-N 447.423 5.538 10 40 IKCB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c1 13750002 KKWQQFFUDLBVHB-ZHZULCJRSA-N 435.574 5.159 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 16292359 KCENXHSVUHYIOA-HAHDFKILSA-N 431.582 5.975 10 40 IKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cc([N+](=O)[O-])ccc3C)C2=O)cc1 19635866 CCGOVRVURWZHDF-QJOMJCCJSA-N 442.475 5.049 10 40 IKCB CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1 100525084 KXTBUYNEEDWFQJ-DUPNKOKHSA-N 440.326 5.448 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc21 208256036 OIGIGEPAMCSWEC-LPKQHDGYSA-N 426.969 6.303 10 40 IKCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222922089 GFLQYFPKNIFGFL-DNQXCXABSA-N 434.609 5.126 10 40 IKCB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c(Cl)c1Cl 223638948 GCGPUOCEFFVNQE-UHFFFAOYSA-N 436.316 5.034 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccccc3CCc3ccccc3)cc2)C1 260578021 SZBCCSDCYSXXHX-GOTSBHOMSA-N 426.604 6.199 10 40 IKCB Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408755921 NUZXRMQGPMUMMB-KGENOOAVSA-N 442.515 6.281 10 40 IKCB Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(C)n1-c1ccccc1 952679 YWVSIZLRGTYFTG-UHFFFAOYSA-N 433.602 5.953 10 40 IKCB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)CC2)cc1 44853988 VCKBACDXKDZVMK-QHCPKHFHSA-N 433.640 5.321 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214395443 OEJOHJJWLZARAN-YBFXNURJSA-N 449.359 5.067 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1 408753759 CJYYHWSRIRFADB-RCCKNPSSSA-N 445.946 6.391 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(Cl)cc2)cc1 408761461 FPYSQOVQIBGQOY-JJIBRWJFSA-N 445.950 5.639 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1C[C@H]1CCCO1 409084579 WVOLNXRIUHRGPE-SYERDGIWSA-N 445.993 5.299 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(C)C 409198260 BBQXLPXHSXVALH-NDENLUEZSA-N 430.595 5.076 10 40 IKCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(Cl)c(C)c3)c2)SC1=S 2882506 CSDIKXULVRPURC-ZHZULCJRSA-N 448.009 5.717 10 40 IKCB CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1Br 9310701 CSHOKAIUOVFXDL-CXUHLZMHSA-N 437.359 5.060 10 40 IKCB Cc1ccc(C)n1-c1ccsc1-c1cc2nc(CSc3ccccc3)cc(O)n2n1 12338646 OHPYDRZADZSUJC-UHFFFAOYSA-N 432.574 5.863 10 40 IKCB O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 13674565 ARWKSDZIYJQDOZ-LGUFXXKBSA-N 441.531 5.442 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1 13811149 QEQHEXSVXPGCTB-SIXFRIEVSA-N 431.348 5.568 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccn1 224157058 DNLKMAIQSPYVTK-BJKOFHAPSA-N 425.561 5.061 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)SC2=S)cc1 408527622 FBPTYVSETFRCPE-PXLXIMEGSA-N 449.622 6.561 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1OC 408755766 PEVNYXOLZTYELB-KGENOOAVSA-N 432.907 5.500 10 40 IKCB O=C(O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408759114 XYYNPQDYQWAJEU-DEDYPNTBSA-N 437.282 5.526 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)cc1 409376193 VRKSKUGOCHAQCH-PGMHBOJBSA-N 444.581 5.232 10 40 IKCB Cc1c(O)c(CN(C)C[C@H]2CCCN3CCCC[C@H]23)cc2c(-c3ccccc3)cc(=O)oc12 1565520471 SKGJXNFIFMTYGG-PXDATVDWSA-N 446.591 5.170 10 40 IKCB biogenic Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Br)cc4)o3)CC2)cc1 1249045 VNOCTPWBIDBQIF-UHFFFAOYSA-N 441.394 5.515 10 40 IKCB O=C(CN(Cc1ccccc1O)C1CCCCC1)NC(c1ccccc1)c1ccccc1 3278287 LCFOPTLAHZLLIQ-UHFFFAOYSA-N 428.576 5.433 10 40 IKCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 9712608 UMJPFLNBGLTCND-SFHVURJKSA-N 448.573 5.212 10 40 IKCB CCOc1ccccc1N1C[C@](O)(c2ccc(C3CCCCC3)cc2)[N+]2=C1SCCC2 27525074 ACUMKXDALSIZSA-SANMLTNESA-N 437.629 5.304 10 40 IKCB O=C1/C(=C/c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC(=S)N1Cc1ccccc1 59417959 PPVHILSFCYTPDS-ZSOIEALJSA-N 425.318 5.303 10 40 IKCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1 408756427 RECBFFLYOAKAGG-DEDYPNTBSA-N 437.724 5.937 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 408986595 QZHRGSMYSBHTNL-HMMYKYKNSA-N 442.471 5.473 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 3671141 NHXADBBAVOJIAK-RWCIVJTCSA-N 435.954 7.551 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 4081989 OJZGPYBYDJHDTO-BKUYFWCQSA-N 447.922 5.031 10 40 IKCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCC4)C3=O)o2)c([N+](=O)[O-])c1 10232854 KMUIGXDTTBQJCP-WQRHYEAKSA-N 430.507 5.007 10 40 IKCB COc1ccc(-c2c3c(nc4sc(C(=O)OCc5ccccc5)c(N)c24)CCC3)cc1 13027707 VMSMFBSPWVVNFY-UHFFFAOYSA-N 430.529 5.400 10 40 IKCB CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1 13302752 XAIUYGMTCFRGEH-JWGURIENSA-N 446.348 5.350 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc2ccccc12 100510910 ODLKSZAWPGXESK-PLFNIDSXSA-N 425.517 6.147 10 40 IKCB CC(C)c1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c(Br)c1 218875264 KUJCUKNQSQSCQR-UHFFFAOYSA-N 445.401 5.258 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(C)C 409338254 GQMREERBXMGVDV-MOSHPQCFSA-N 429.563 5.287 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(F)F 409353828 SGALHCHTPRGJQN-CXUHLZMHSA-N 425.453 5.232 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1 1013006 RLVLLHSPPCNWIO-RGVLZGJSSA-N 437.448 5.329 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2[C@H](C)CCC[C@H]2C)c1O 2666249 FIQZJFNKDJRREJ-HZPDHXFCSA-N 448.588 6.101 10 40 IKCB biogenic Brc1ccc(OCc2ccccc2)c(C2Nc3cccc4cccc(c34)N2)c1 70453919 DIYKRONCFZDKKP-UHFFFAOYSA-N 431.333 6.718 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCCSc3ccc(Cl)cc3)cc2)C1 260511786 SGHQTZPQPKBVQR-OALUTQOASA-N 431.045 6.326 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1C 409216817 OPYGKAFKLSFANY-WSDLNYQXSA-N 436.964 6.605 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 1217418 HGPXXCMTBJIGJD-JCMHNJIXSA-N 446.597 5.632 10 40 IKCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)c1 59137278 SCJUHHJIZWIPGC-WSDLNYQXSA-N 431.467 5.357 10 40 IKCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223058185 KYFXBLBAPWNTFU-LOSJGSFVSA-N 448.636 5.115 10 40 IKCB CCCCOc1ccccc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 408737155 LPEYKWROVZQLNB-PTGBLXJZSA-N 441.487 5.608 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2cccc(C)c2)cc1 408754712 HCZYININOHHGOW-XQNSMLJCSA-N 442.515 5.245 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c2C)c(C)c1 409007056 NFFWPJDMWOBPLH-JLPGSUDCSA-N 430.573 5.990 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 409162697 HCNFLJQBWFTNKC-JQYIIUTOSA-N 427.569 6.812 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 409247443 HHWRNMRJAMSOEW-PXLXIMEGSA-N 428.513 5.121 10 40 IKCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1 8820423 GYDZVLFFYOXXDZ-KGTQDBRDSA-N 428.966 5.126 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 8821419 BVVIMSOOXKTIMA-DEDYPNTBSA-N 425.962 6.568 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1 20037446 SQIGARSTYLZYEZ-FLBMWDQJSA-N 430.455 5.280 10 40 IKCB COc1ccc(-n2c(C)cc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)c2C)cc1 22008495 DUHHJAIILLQKCL-QHCPKHFHSA-N 448.954 5.009 10 40 IKCB CN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)SC1=S 98086289 IAMDICDHAIDQDF-OVCLIPMQSA-N 440.424 5.237 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)nc1 223105361 YINWOIPFROXWKK-RPBOFIJWSA-N 445.636 5.498 10 40 IKCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c1 408820211 UOTSSMMUNJCGDL-WQRHYEAKSA-N 425.849 5.539 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1 408984338 GWPSQIBKRYTGGO-HMMYKYKNSA-N 445.902 5.908 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)c(C)c1 409128642 FZDCLMLMAQFHQY-KOEQRZSOSA-N 444.600 6.380 10 40 IKCB CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2ccccc2C)SC1=S 2874194 CUZUKKDLBQTZKB-HKWRFOASSA-N 443.590 5.073 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCCOc1ccccc1 8453158 IMIAVEGYADITRV-HKOYGPOVSA-N 442.515 5.349 10 40 IKCB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)C(C)=C1C(=O)OC 8722025 WSRSVJQILNDGQB-WJDWOHSUSA-N 432.303 5.269 10 40 IKCB Cc1ccc2nc(-c3ccc(Br)o3)c(Nc3ccc4c(c3)OCCO4)n2c1 9289127 NJIRHUUWPDPJQH-UHFFFAOYSA-N 426.270 5.180 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1ccccc1 18190559 ODPKFIATKHTLNJ-MTJSOVHGSA-N 440.927 6.123 10 40 IKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 33900335 FLDYTNBPHQGGPY-NDENLUEZSA-N 430.932 5.624 10 40 IKCB 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CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)SC2=S)cc1 409339079 RPRNHJQMZMSPSA-PXLXIMEGSA-N 434.586 5.899 10 40 IKCB COc1ccc(NCc2c(O)c(I)cc3oc4c(c23)CCCC4)cc1 2157741 YGUZSUKAIQRSBP-UHFFFAOYSA-N 449.288 5.243 10 40 IKCB CCOc1ccc(/N=N/c2nc3cc(Br)c(Br)cc3n2C)cc1 8836543 VZIFZUYMDDVBPJ-QZQOTICOSA-N 438.123 5.912 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc(Cl)cc1 9188509 MIOZRXKULRTMCG-STZFKDTASA-N 437.973 6.325 10 40 IKCB C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccccc1 9679390 JSABNVDEHAXQIJ-PZBNQXIHSA-N 446.890 5.146 10 40 IKCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 14414978 KUHMJCAGTBAPLL-UYRXBGFRSA-N 430.331 5.299 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 16693109 KESHAXOCTJHKKU-ATVHPVEESA-N 427.287 5.007 10 40 IKCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1 34378202 ASXMUTJIDIQDSJ-DEDYPNTBSA-N 425.529 5.033 10 40 IKCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 35646289 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429.545 5.048 10 40 IKCB COc1ccc(N2CCN(c3nc(-c4ccc(-c5ccccc5)cc4)cs3)CC2)cc1 8857370 OEDJIRBXZBSATQ-UHFFFAOYSA-N 427.573 5.812 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 9293409 WVOWNKLZEKWZQA-WTCJYIDHSA-N 449.555 5.433 10 40 IKCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12 16525764 DLRDONRBKVHLJZ-HMAPJEAMSA-N 442.927 5.478 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC 40144920 SZUROECISRSRBR-QNGOZBTKSA-N 443.590 5.679 10 40 IKCB O=C(Cc1ccccc1)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)Cc2ccccc2)c1 98087469 YXZKLXSFCLJASI-QNEJGDQOSA-N 448.526 6.464 10 40 IKCB CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(N(C)C)cc1 102489370 AVJMDCFRAVPEOG-DEOSSOPVSA-N 448.636 5.913 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 260562821 BYCHUIJJSGNPEZ-NBZOHKLQSA-N 437.971 5.463 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1 408740595 CIMUDPDCOLUGLZ-KGENOOAVSA-N 432.903 6.299 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2cccc(C)c2)cc1 408766167 PLIOWAPHIGMLFH-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB O=C1Nc2ccccc2/C1=C\c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 409197170 XQEVRLZZLHXISH-XQNSMLJCSA-N 433.511 5.113 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409344210 IELCSSKACIPINH-MOSHPQCFSA-N 436.514 5.553 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 8425962 FDLIDSSHLDAKTN-AIQNWGLSSA-N 431.963 6.411 10 40 IKCB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 9283265 LNXFJTXXVLQXKQ-UHFFFAOYSA-N 441.409 5.425 10 40 IKCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)o2)c(C)n1-c1ccc(Cl)cc1 9464632 XVAPXVVKJWRRHJ-OAHLLOKOSA-N 438.940 5.556 10 40 IKCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccc(C)cc1C 9957730 JBVKXDZXUBHAJK-KGENOOAVSA-N 443.590 5.039 10 40 IKCB Cn1cc(/C=C2\SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)c2ccccc21 13811090 QAEOOFFUBDWXLJ-IUXPMGMMSA-N 435.858 5.933 10 40 IKCB 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CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 223520821 IOTHZNTYYGKGOQ-UCQKPKSFSA-N 429.564 5.498 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224186961 JFQUKYAIPRMWFI-JWQCQUIFSA-N 440.572 5.366 10 40 IKCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Oc2ccc(Cl)cc2)cc1Cl 585152325 PKZBZCHMWDPKNX-WOJGMQOQSA-N 435.332 5.088 10 40 IKCB Cc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c1C 924774 DBIUONJOCFVKBI-UHFFFAOYSA-N 435.524 5.678 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2202436 OTSSQERMYHTYLH-UOEQGAKJSA-N 446.937 5.522 10 40 IKCB Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 8426716 DGBYBHFQPFLNJH-DENIHFKCSA-N 445.733 6.595 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 9008959 KBHXPFPNVPAHDA-QLSUFNALSA-N 445.523 5.248 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1 9309816 DLCCSICONYTOCR-LANNQIRMSA-N 446.363 5.430 10 40 IKCB 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COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1Br 409382701 PPVYGTWRNMZRMS-BOPFTXTBSA-N 444.350 5.048 10 40 IKCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccc2ccccc2c1 1263838 ZATIZKLAJSTJRB-XZHCKZKCSA-N 430.554 5.236 10 40 IKCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 8821428 XMVUPQHRMOILMX-ZXMBATIKSA-N 435.954 5.301 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12 17293255 RVCGDZFPHDOVEM-HAHDFKILSA-N 441.328 6.562 10 40 IKCB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1 33731370 HNUHRZUBPWLFRX-HZWMVPBHSA-N 432.336 5.040 10 40 IKCB CCN(CC)c1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1 57305020 TWKNAOBWHJRTBP-XMMPIXPASA-N 446.620 5.007 10 40 IKCB COc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 103921274 XWEYHQGRYTWJAP-JWGURIENSA-N 440.528 5.442 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(N(C)C)cc1 222617640 YOXWRAWYOHEFBP-YRUKQIKQSA-N 431.609 5.144 10 40 IKCB CC[C@@H](C)Oc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408904639 MNJOFYXDZWTUJY-XWAFYUISSA-N 443.341 5.441 10 40 IKCB Cc1cc(C(=O)[C@@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(C)n1-c1ccc(Cl)cc1 13095516 BZOFMNNHPCFDFE-KAKFPZCNSA-N 441.955 5.257 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 106702602 HWSABIYGMULWSG-XKZIYDEJSA-N 447.516 5.547 10 40 IKCB O=C1[C@@H](Cc2ccccc2OCc2ccccc2)SC(=S)N1CCC1CCCC1 409161277 MCRGCSQJYYYBDQ-JOCHJYFZSA-N 425.619 5.617 10 40 IKCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 409180553 ZPRMDTHAHAEVPE-VGOFMYFVSA-N 428.735 5.647 10 40 IKCB CC(C)n1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 409345328 LEGYHDKFNIOGRG-OCKHKDLRSA-N 447.412 6.935 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)cc1 8821585 DXSLRYAFZPCBKZ-RGEXLXHISA-N 443.590 5.461 10 40 IKCB COc1cccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1O 11761707 BRTBQUGVCSLUQR-UHFFFAOYSA-N 434.511 5.058 10 40 IKCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 13121288 BWAFQOPGEUAJFG-UHFFFAOYSA-N 436.559 5.559 10 40 IKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2ccc(Cl)cc2)cc1 19644115 DHZORRIMRHPROS-MOHJPFBDSA-N 445.950 5.206 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c1C 59109534 DJWJJAQOOFDWTH-CPNJWEJPSA-N 439.943 5.691 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408755871 GEEGPEAGMIHJFU-LPYMAVHISA-N 449.352 5.366 10 40 IKCB O=C1/C(=C\c2ccco2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1 408762082 MTVBKCXCHUSADG-SFQUDFHCSA-N 439.323 6.636 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 408900933 AFKQOFXUAYKACV-KGENOOAVSA-N 448.525 5.580 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c(F)cccc1Cl 409018853 XBDQLGFBBXRIFG-GDNBJRDFSA-N 439.792 5.375 10 40 IKCB CCOc1c(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cccc1OC 409352646 YDWDPUUGAPPYLL-SXGWCWSVSA-N 440.373 5.807 10 40 IKCB COc1ccc(OC)c(NC(=O)c2c(NCc3cccs3)sc3c2CC[C@@H](C)C3)c1 729123 VJMYPPSMLXGSJF-CQSZACIVSA-N 442.606 5.816 10 40 IKCB CC(C)n1c(NCc2cc(Br)cc(Br)c2O)nc2ccccc21 8984928 ZVOARMGJDMNFMD-UHFFFAOYSA-N 439.151 5.460 10 40 IKCB CC(C)(C)c1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 13547857 MMQZAGQSVTZXDD-QNGOZBTKSA-N 440.012 5.430 10 40 IKCB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 13646752 WOQQFSMYUKNPHA-BKUYFWCQSA-N 449.601 5.405 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 27019967 UHGOSJAGAXEUQL-ONUIUJJFSA-N 432.527 5.962 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)cc1 39132433 AYGUXTLONHGMCI-CJLVFECKSA-N 432.907 5.582 10 40 IKCB COc1ccccc1/N=N\c1c(-c2cccs2)nn(C(=S)SC)c1C(F)(F)F 104235739 ZSJKDLZNDQKFLJ-DQRAZIAOSA-N 442.513 6.550 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)cc1 113837789 PFUYXGNPBTXRMC-VIZOYTHASA-N 425.318 5.616 10 40 IKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C 223539604 BATHUNXWPSNHAN-GLFIFPSUSA-N 438.568 6.174 10 40 IKCB CCOC(=O)c1ccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)cc1Cl 225734620 FXUDCTIFRCGHOM-UHFFFAOYSA-N 434.005 5.028 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(Cl)cc2)cc1 408764910 NSMZJLSYLSJOAN-HYARGMPZSA-N 448.906 5.200 10 40 IKCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CC)C3=O)c2C)cc1 409128543 PKCYPVWYKVNDJM-ZHZULCJRSA-N 442.606 5.272 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)c1 409338399 JGQKHKUEGMDESA-XDHOZWIPSA-N 444.002 6.728 10 40 IKCB COc1ccc(CNc2sc3c(c2C(=O)Nc2cc(Cl)ccc2OC)CCC3)cc1 2072950 VJHJGTHJFJRTLV-UHFFFAOYSA-N 442.968 5.772 10 40 IKCB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 13712922 RNXQDTBBKLVIHY-UYRXBGFRSA-N 437.615 5.482 10 40 IKCB O=C(Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 15080687 SWQUIAVTTITOTL-UHFFFAOYSA-N 435.435 5.212 10 40 IKCB CCN1C(=O)/C(=C(\C=C\C=C2\N(C)c3ccccc3C2(C)C)c2ccccc2)SC1=S 83259435 UMXJEPRTNZRTIW-MHYYXVNDSA-N 446.641 6.146 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1Cc1ccco1 96624372 GKUIAGBYIZQRLJ-UDWIEESQSA-N 441.961 5.913 10 40 IKCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1 113834989 JCMUOVFCKGPBKP-YBFXNURJSA-N 440.477 5.708 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 222701204 QSCSLAKOKQHGPC-QFZRFWILSA-N 430.621 6.085 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1F 225015041 JZYUENJIAFUBIK-ZEQRLZLVSA-N 434.584 5.543 10 40 IKCB C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(N2CCCCC2)cc1 225779636 YDSFYWHGILVBOB-HXUWFJFHSA-N 448.994 6.400 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2Br)N1c1ccc(O)cc1 408762835 MLNKPYYXQIMEOJ-LDADJPATSA-N 425.307 5.051 10 40 IKCB Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(O)cc3)C2=O)cc1 408845584 QQMATEXWFZCGIQ-XSFVSMFZSA-N 444.943 6.403 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 408905325 XGOAHNVQANFEAC-PCLIKHOPSA-N 448.526 5.395 10 40 IKCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br 408974410 YXHXUSHMIGBCOB-UVTDQMKNSA-N 439.231 5.196 10 40 IKCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1 408982925 IWWNLJUVJXPULM-UYRXBGFRSA-N 448.563 5.216 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C 409018662 XNLZDOPFHFOPII-QNGOZBTKSA-N 446.934 5.625 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)c(C)c1 9849739 IXMSAQIGZXAHGO-NDENLUEZSA-N 425.962 6.623 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OCC)cc1OCC 12411357 GJZYEXFYSOLXNR-PGMHBOJBSA-N 435.520 5.141 10 40 IKCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1 224173001 ZZWGGCOAFKCPJD-RPBOFIJWSA-N 439.588 5.370 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 408585644 GUOVRNPFWSYZTP-PGMHBOJBSA-N 445.902 6.010 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)nc1 409233558 LAIOXVWLCNAJAG-RGVLZGJSSA-N 437.952 5.687 10 40 IKCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 1183168 RIZARXSIHWTTMI-KGENOOAVSA-N 432.570 5.378 10 40 IKCB CCn1cc(/C=C2/C(=O)N(c3cccc4ccccc34)C(=S)N=C2O)c2ccccc21 1237466 PQJDCSYJFPQWSC-XSFVSMFZSA-N 425.513 5.486 10 40 IKCB Cc1cc(C(=O)CSCc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 2655094 DUXUYGZWKHXNOP-UHFFFAOYSA-N 438.807 7.170 10 40 IKCB CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C3CC3)c2C)cc1 8726042 VDHHZEWCHJBTOC-UHFFFAOYSA-N 436.581 5.272 10 40 IKCB O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8770884 ZIRHMKUIXFBOEO-GZTJUZNOSA-N 427.243 5.124 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1 9188479 FSJCAFLGLWWCEI-ZHZULCJRSA-N 439.646 6.701 10 40 IKCB COc1ccc(-c2ccc(C(=S)N3CCN(c4ccc(C)c(Cl)c4)CC3)o2)cc1 9424506 UQFVTRHFIMJWRK-UHFFFAOYSA-N 426.969 5.415 10 40 IKCB O=C1NC(=S)S/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59678691 RZMFDZQIXKYYEQ-IZZDOVSWSA-N 432.773 5.336 10 40 IKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1cc(-c2ccccc2)n[nH]1 102572091 DUQNQDMQHPGZHF-PBJDEKFSSA-N 427.493 5.075 10 40 IKCB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S1 408798337 DQVXUYYCYBDVKZ-UHFFFAOYSA-N 432.569 5.483 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409062682 YWSUAZORNVLHGZ-JCMHNJIXSA-N 444.506 5.419 10 40 IKCB COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 6292425 QUBLTLNFWVSHCQ-SGIRGMQISA-N 432.545 5.323 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S1 8821687 OJUKYUDENVRLTM-JLPGSUDCSA-N 428.557 6.219 10 40 IKCB C[C@H]1CN(c2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)C[C@@H](C)O1 13800008 KRQSVIUCVJBJCB-IYBDPMFKSA-N 425.488 5.396 10 40 IKCB CCN(Cc1ccccc1)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 33725119 ZKVRGUPORNQYEE-UQQQWYQISA-N 429.951 6.173 10 40 IKCB C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218213677 UHWIKXVNPAZDEO-CVEARBPZSA-N 448.348 5.019 10 40 IKCB O=C1/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1 408970074 ZYEDDZJYGIPWEA-HKWRFOASSA-N 431.417 6.183 10 40 IKCB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)N(CC)C(=S)N(c2ccc(Cl)cc2)C1=O 409012241 KARSCVUNOMKYMU-FHHIAAGZSA-N 442.968 5.081 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OCC)C3=O)c2C)cc1 409050481 WJQZYRHCTPNILZ-KGENOOAVSA-N 440.565 5.036 10 40 IKCB Cc1cc(C(=O)COC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 3283158 YFSWWQUDUPZLBY-UHFFFAOYSA-N 436.722 6.094 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 33350794 DOZDBANFTNHLQM-FYJGNVAPSA-N 431.467 5.357 10 40 IKCB Cc1ccc2ccc([C@@H](Nc3cc(C)c(Br)cn3)c3ccccn3)c(O)c2n1 46085484 QANGFOMQCANPAR-OAQYLSRUSA-N 435.325 5.311 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccccc1Cl 59135356 WPBMRASTAMGBEX-LDADJPATSA-N 437.858 5.393 10 40 IKCB CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1 100525086 KXTBUYNEEDWFQJ-AWZKZOKMSA-N 440.326 5.448 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccn1 223374441 BHECDZXIVSFNBG-LOSJGSFVSA-N 439.588 5.057 10 40 IKCB CCOC(=O)c1cccc2c1N[C@@H](c1cc(Br)ccc1OC)[C@H]1CC=C[C@@H]21 408736143 HXANXKHCNXPLMA-WDUKFBBWSA-N 428.326 5.461 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409022582 BOHLBGUEVHDMGG-JLPGSUDCSA-N 443.474 5.282 10 40 IKCB Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1Cl 6804327 IVWAKVKHUXEHAS-GOSISDBHSA-N 426.944 5.304 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)S2)cc1 8821685 VCLNOMHTWRRFRQ-JLPGSUDCSA-N 428.557 6.219 10 40 IKCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)SC2=S)c1 10232900 SGWJXZSQOOKPQG-WOJGMQOQSA-N 425.462 5.190 10 40 IKCB NC(=S)n1nc(-c2ccccc2)c(/N=N/c2cccc([N+](=O)[O-])c2)c1-c1ccccc1 16930162 RSLXOBKJXMSGHP-OCOZRVBESA-N 428.477 5.632 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1 33829054 MEDBJRMPZRTLEF-ZQFCNSAKSA-N 433.581 5.466 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4)c3C)N21 222697616 SKTZDCCDOILRJT-CDNPAEQRSA-N 437.012 6.122 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223121141 QTTFCDPUDXDGOA-LOSJGSFVSA-N 446.620 5.495 10 40 IKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(Br)cc1Cl 408533608 ONGGIZJDZGCLDB-ZROIWOOFSA-N 439.140 5.783 10 40 IKCB CCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)cc1 409013703 DEWYCJDCUSGLAB-OCKHKDLRSA-N 432.303 5.269 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c(C)n(C)c2ccc(C)cc12 409044713 HMDWDOJVLXBKCK-XYOKQWHBSA-N 433.380 5.297 10 40 IKCB CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 409236750 HAHNRTARGDJSQA-YBFXNURJSA-N 428.319 5.217 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Cl)c1O 409334140 UKFQUGPZVAJIIT-SXGWCWSVSA-N 437.995 5.572 10 40 IKCB O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(Cl)cc1Cl 409352718 YFNNNCREXARZIT-MLPAPPSSSA-N 435.184 6.706 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c1 59135868 ICKYQAMAVWMTTP-DEDYPNTBSA-N 447.535 5.522 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3C)C(=O)N(c3cccc4ccccc34)C2=O)cc1 59484760 HAANYOQLZJTXPA-XIEYBQDHSA-N 446.506 6.040 10 40 IKCB C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 219005612 SZBCCSDCYSXXHX-PKTZIBPZSA-N 426.604 6.199 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1 224163907 OVLHSRHEXLTFRW-UIOOFZCWSA-N 438.600 5.975 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Br)c1 409000590 YZMIJAXEWOMVDZ-PDGQHHTCSA-N 446.728 5.370 10 40 IKCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4C)N=C3C)o2)cc1 8437986 LCZMSRHETVRHBM-CPNJWEJPSA-N 434.879 5.501 10 40 IKCB Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 9804741 YVIFCSCQCFPNQE-QHWMMSMNSA-N 444.600 6.239 10 40 IKCB O=C1N=C(Nc2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(C(=O)O)cc1 16906119 VQUNGKGPYYUJKD-VGOFMYFVSA-N 426.803 5.139 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)cc1 26772094 LKOHGFCXPAZGDV-RZDMPUFOSA-N 434.624 5.360 10 40 IKCB biogenic Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 35646279 HCSVOGICNPNFHN-ODLFYWEKSA-N 429.328 6.644 10 40 IKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 108241780 DJGYXGKHDNHUEW-NDENLUEZSA-N 430.932 5.624 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2cccc(Br)c2)C1=O 408764383 RKMHPKMREWHCJO-XSFVSMFZSA-N 433.305 5.292 10 40 IKCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O 409164484 JFZFAHWBSWJOLR-HYARGMPZSA-N 445.544 5.078 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 409326243 IVOVFMCMMRCKKJ-PDGQHHTCSA-N 437.854 5.215 10 40 IKCB Cc1cc(C(=O)CSc2nnc3ccc4ccccc4n23)c(C)n1-c1ccc(F)cc1 630388 PHQADMOPRJOFML-UHFFFAOYSA-N 430.508 5.404 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCCOc3ccc(C)cc3)c3ccccc23)SC1=S 2852237 ZQJGKHCEZJBMEB-JCMHNJIXSA-N 436.602 5.640 10 40 IKCB Cc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)n1Cc1ccccc1 3299117 RSVIMERHKSEISG-UHFFFAOYSA-N 434.540 5.156 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1C 8741359 HXPVXQCKYRPJCG-BUVRLJJBSA-N 449.510 5.813 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8935133 WXZHYNIYTFJYOW-DJIOSBNXSA-N 448.360 6.042 10 40 IKCB Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1 14480089 FPTFRVLQUFJMEQ-QHWMMSMNSA-N 444.600 6.239 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1cccc2ccccc12 208704903 UGAUHPKDPZRPCO-HMAPJEAMSA-N 447.968 7.159 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccc(Cl)cc1 408601293 JQFFRHHUEXCDQS-ZDLGFXPLSA-N 433.888 6.284 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 408736120 GKSPBLSTCUGYAY-OHUGHZGNSA-N 448.360 7.077 10 40 IKCB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 409328018 PCOZSODCXNHDJQ-VGOFMYFVSA-N 434.291 6.418 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)C2=O)cc1 9076340 FYFCQYPJTMHBMT-CPOQMQJTSA-N 448.906 5.780 10 40 IKCB CC(/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O)=C\c1ccccc1 9233980 NBXBQJVEQUIJJQ-YZXVBUGESA-N 449.384 5.486 10 40 IKCB Cc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1 13025267 WHXHSPZBUQKSMM-RUZDIDTESA-N 445.563 5.101 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 15231222 ZUMXDYSFWRQUNC-QNGOZBTKSA-N 431.919 5.824 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1cccc(C(F)(F)F)c1 15275999 SQHOVDQQHSBALK-UHFFFAOYSA-N 436.817 5.201 10 40 IKCB COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 16216728 BDQMDWBZFXAXLV-HAHDFKILSA-N 447.581 5.676 10 40 IKCB CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccccc1 33533326 HBAZJXWSXXDZGY-KQWNVCNZSA-N 430.529 5.747 10 40 IKCB CCCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2C)C(=O)N=C1O 59860556 DWSYDANWMPLHKT-FOWTUZBSSA-N 443.297 5.053 10 40 IKCB COc1ccc(-c2csc(NS(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1F 60950993 LHGZPYHRJCEVEK-UHFFFAOYSA-N 433.313 5.065 10 40 IKCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1-c1ccccc1 224450089 QWBALFXTCDIIPV-ZEQRLZLVSA-N 428.536 5.497 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409331703 OLWFYXAYNCKXMS-BKUYFWCQSA-N 448.525 5.580 10 40 IKCB CCCC[C@H](CC)Cc1ccc(C(=O)C(=O)c2ccc(C[C@@H](CC)CCCC)s2)s1 1776011065 WETRHJIPQQMKKF-PMACEKPBSA-N 446.722 8.393 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N=C2S1 13940911 KWZBZSBWKBZRIV-BTHBKKPGSA-N 447.347 6.063 10 40 IKCB Nc1c(Br)cc2c(c1Br)Cc1cc(/N=N/c3ccccc3)ccc1-2 18154335 CBCIPUKBHDNHAL-WCWDXBQESA-N 443.142 6.780 10 40 IKCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1Cl 20722290 XXEYZSOWVRNSOI-UHFFFAOYSA-N 446.938 5.361 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1cccnc1)N1CCCCC1)c(O)c1ccccc12 24303248 IAQKXFGPYLIQMT-DEOSSOPVSA-N 444.531 5.747 10 40 IKCB C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(Cl)c(Cl)c3)c2C1 35239565 LSNOPVZBXBQPRS-LBPRGKRZSA-N 449.175 6.979 10 40 IKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 59267079 UJBODOYKWBPKKC-REHUZNOOSA-N 431.919 6.444 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 222966812 GBXYAGUTONAEIG-ZEQRLZLVSA-N 434.609 5.270 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)cc1 408763935 GNTFUNOMTPJLLZ-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1 409327381 JJBAXBZXSBFKHD-APSNUPSMSA-N 426.346 5.416 10 40 IKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)cc1 939383 DOGYPLAUGCFTPQ-UHFFFAOYSA-N 432.574 5.635 10 40 IKCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccccc1C(F)(F)F 1267307 NRHOVPUXVYPDTG-YIERNNEGSA-N 448.491 5.102 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)S1 8821731 HUEMGIPKMMWHOB-JLPGSUDCSA-N 428.557 6.219 10 40 IKCB Cc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2O)cc1 9659472 QPBAKFDVZNTOEI-OAQYLSRUSA-N 435.321 5.455 10 40 IKCB CSC(=S)n1nc(-c2ccccc2)c(/N=N/c2cccc(F)c2)c1-c1ccccc1 18043079 GLOBJWDLGCXKBW-OCEACIFDSA-N 432.549 7.268 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3O)C2=O)cc1Br 27519465 PPBAOGAVTSUPMQ-QGOAFFKASA-N 448.316 5.635 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)SC1=S 33648423 RMKUHMGQSIMVDD-RZNTYIFUSA-N 429.306 5.383 10 40 IKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 33685449 KGSXYRDTGPBVLV-GRSHGNNSSA-N 448.325 5.134 10 40 IKCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224173206 GDWQXUNQNSZGPO-DNQXCXABSA-N 439.588 5.370 10 40 IKCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1 408753229 FQCYQYBSXHQEIY-CJLVFECKSA-N 446.348 5.350 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)cc1 408765048 ZBGFHJFMEHWZLX-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 408775221 RLTKCNMBKNHXDB-MGSPXPDISA-N 437.996 5.910 10 40 IKCB CCCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)C(=O)N(c2ccccc2)C1=S 409023006 AWCUXCKNMXWSKG-RCCKNPSSSA-N 431.561 5.176 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(Nc3cccc(C)c3C)=NC1=O)[C@@H](C)CC(C)(C)N2C 208234203 YRLXACYCOJFMBT-ICODJCHTSA-N 433.621 6.416 10 40 IKCB C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 222695068 SGHQTZPQPKBVQR-MOPGFXCFSA-N 431.045 6.326 10 40 IKCB Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1Cl 409152463 JVRVHLMAEQRJGG-OSWQYVSFSA-N 438.423 8.112 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S 409354971 BKPBBOVNKLGYAM-UCQKPKSFSA-N 443.597 5.645 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc4c(c3)OCO4)C2=O)cc1 1106424 JCWQZBYOEMZFPK-PDGQHHTCSA-N 431.875 5.549 10 40 IKCB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)N1CCc2ccccc2C1 6446875 ANMKPIAITQENPI-UHFFFAOYSA-N 447.535 5.008 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C1c1ccccc1 8872208 SDQRHZULYUMLDU-OQKWZONESA-N 448.478 6.635 10 40 IKCB CC(/C=C1\SC(=S)N(CCC(=O)N2CCCc3ccccc32)C1=O)=C\c1ccccc1 9434114 GYKSANVKPYIKEU-XPAFPMRLSA-N 448.613 5.204 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 15013486 OATNGXHGLJJNJV-LFVJCYFKSA-N 444.600 6.628 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(C)c4C)C(=S)N=C3O)c2C)cc1 17299690 CBBXFCDUBIEKES-HYARGMPZSA-N 443.572 5.691 10 40 IKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 100148862 FIRFSWZYHIOVCM-PCLIKHOPSA-N 445.994 6.526 10 40 IKCB COC(=O)/C=C(/C(=O)OC)N(Nc1ccccc1/N=N\c1ccccc1)c1ccccc1 100369465 DDMKMQBGQLHBRH-AUERHCTOSA-N 430.464 5.165 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 222772343 ZAPCYLMJHUUDAN-RTWAWAEBSA-N 427.017 5.359 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 408844013 OHEPQBJAJWKSRA-RCCKNPSSSA-N 447.332 5.601 10 40 IKCB CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)c1 409330314 KZODHBFKTLGNNP-UNOMPAQXSA-N 427.547 6.213 10 40 IKCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)o3)c2C)cc1 2621194 JLYSXIINKUKSSB-UHFFFAOYSA-N 425.535 5.189 10 40 IKCB aggregator CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 41083071 VSUKTWRURZHIHM-QGUUBAPPSA-N 437.544 5.433 10 40 IKCB C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cccc([N+](=O)[O-])c3)c2C1 95929198 RWYCNUXYYDFBSO-ZDUSSCGKSA-N 425.282 5.580 10 40 IKCB O=C1C(=Cc2cccc3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 113832352 RCKMAIGECBNJOR-UHFFFAOYSA-N 434.520 5.588 10 40 IKCB O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1 408527312 ACYVXJIFLKMYNS-NVNXTCNLSA-N 440.771 5.170 10 40 IKCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccccc2)cc1 408987782 YCBZBJLJXQQCNT-PTGBLXJZSA-N 439.511 5.733 10 40 IKCB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(Br)c2ccccc12 409198524 HFWQXKLZUDHZBK-KGENOOAVSA-N 443.344 6.503 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC 3768784 JHEUFDMKFHIXKL-WMRWHDLOSA-N 427.591 5.895 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 6241614 IYFBLMBSWRSJAH-DIXQBGJTSA-N 432.608 5.441 10 40 IKCB biogenic Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2O)c1 8997238 GBDYHGFPZJPSBN-ZVHZXABRSA-N 441.531 5.199 10 40 IKCB CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 33441435 ZZBXAOINMQRBOE-QNGOZBTKSA-N 436.989 6.514 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCc1ccccc1 96193317 ZKEQBZPNOOAOLM-MOHJPFBDSA-N 426.516 5.513 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 103918972 KRMWEGMTOMSVOJ-UNOMPAQXSA-N 428.920 5.978 10 40 IKCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(Br)cc2)N1c1ccccc1 408840786 FVTNHEUHOVMLKH-XMHGGMMESA-N 448.276 5.192 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 409195204 UHFJJUSBHQXQOL-FYJGNVAPSA-N 438.936 5.997 10 40 IKCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 830934 LFYXQHFHVZCTQI-UNOMPAQXSA-N 439.298 5.034 10 40 IKCB O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1c1cccc(Cl)c1 2056488 HMHICAGMUJHSEB-HYARGMPZSA-N 431.969 7.052 10 40 IKCB CCCCN(CCCC)CCCNC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 4366545 LYDUONFYPVGKAH-UHFFFAOYSA-N 438.704 5.790 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14414513 LXSYUYUGZJRVIV-ULJHMMPZSA-N 425.484 5.665 10 40 IKCB COC(=O)c1sc2nc(/C(Cl)=C/c3ccc(N4CCCCC4)cc3)nc(O)c2c1C 23779096 AHTKBIHLDPQUGT-VBKFSLOCSA-N 443.956 5.219 10 40 IKCB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(c2ccccc2)C1=O 59138864 MLYIFAORKRHJKL-ATVHPVEESA-N 441.270 5.262 10 40 IKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 110422617 LPUOYPAABZNNQW-ZTJKHUJPSA-N 438.618 5.082 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1O 222821650 AFPJGWPMWMOHOB-FCHUYYIVSA-N 441.000 5.229 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1F 223344735 IXOZCEQGNHPEOB-BJKOFHAPSA-N 446.551 5.394 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)C1 260511499 QIQAOSIZJUZDNE-LGVFNWMJSA-N 437.603 5.151 10 40 IKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(Br)cc1 408763949 GVRHRMMLLPELIU-XSFVSMFZSA-N 448.276 5.192 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)O)c3)C2=O)cc1 408764842 TUPBULCCJCKOCS-UYRXBGFRSA-N 431.875 5.518 10 40 IKCB O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2N1c1ccccc1 409204161 CHWOHFBAJYDUCY-ZXVVBBHZSA-N 426.519 6.909 10 40 IKCB Cc1cc(C(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(OC(F)F)cc1 3306192 JJVLKRPEIMSSOT-HNNXBMFYSA-N 435.923 6.712 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1 8820126 NJUHPJMCCRYOER-CYVLTUHYSA-N 445.009 5.740 10 40 IKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 17281845 FIRFSWZYHIOVCM-XYGWBWBKSA-N 445.994 6.526 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(Nc3ccc(Cl)cc3)=NC1=O)[C@@H](C)CC(C)(C)N2C 208232459 WWPCLVBPYTXSET-RANIVTSPSA-N 440.012 6.453 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 222700649 UHOYKPULZNYVTL-NIJXNBFTSA-N 430.621 6.085 10 40 IKCB Cc1cc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc(N(C)C)cc1 408631977 BYHVDWLVKZYHKB-HYARGMPZSA-N 432.549 5.254 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)cc1 408865346 DBTNBHTTWVFQHB-FYJGNVAPSA-N 448.881 5.045 10 40 IKCB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c1C 408964313 CUARARCAMCCTCQ-IWIPYMOSSA-N 430.573 6.201 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409019666 KCPJCWAZAYVNCZ-HMHNVIDESA-N 449.359 5.002 10 40 IKCB COc1ccccc1NC(=O)c1c(NCc2cccc(OC)c2OC)sc2c1CCC2 920840 VRZYAVPSUAEDRK-UHFFFAOYSA-N 438.549 5.127 10 40 IKCB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 8814320 GACKBCGBQGSCSV-AOYPEHQESA-N 447.966 6.047 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)S2)cc1 8821738 BFAWHCIUZQCPTJ-HAHDFKILSA-N 448.975 6.564 10 40 IKCB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(OC)c2O)N3)C1 8919862 DNRNWSQLRCAIST-NSPYISDASA-N 434.989 6.086 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1 12285161 LRYZFMWPIDLTPZ-BKUYFWCQSA-N 432.907 5.734 10 40 IKCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1 13777852 NJQCZHQOPFOANQ-SOFYXZRVSA-N 426.346 5.416 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)o2)c([N+](=O)[O-])c1 35040017 SIKPBFFGIHNPKU-ZDLGFXPLSA-N 426.475 5.158 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 222967876 AVSQYBMEYWGOKI-RPBOFIJWSA-N 447.652 5.328 10 40 IKCB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225669193 CAAXYJBUCCXMKU-AEFFLSMTSA-N 425.598 5.066 10 40 IKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4SC[C@H](CC)N43)c2C)cc1 260781626 UDGOQJBMROSJDX-KSNOWIBYSA-N 430.621 6.031 10 40 IKCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1Cl 408529117 GZCTWPIMXJAVOA-ZROIWOOFSA-N 449.692 5.038 10 40 IKCB O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccccc2F)c2ccc(Br)cc12 409206539 PHFDAZVFTXXVNR-RGVLZGJSSA-N 447.307 6.084 10 40 IKCB O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 409326716 DVLUHMVXQIXXGE-AUWJEWJLSA-N 434.291 6.418 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409348230 SDVBZQADAMFQIW-NNLQFVHNSA-N 438.401 6.577 10 40 IKCB CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 8872389 ZXKIOICERVSNJP-KGENOOAVSA-N 436.989 6.514 10 40 IKCB CN(C)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(CC(=O)O)s2)cc1 8984404 ZUAVCBABCIORKV-UHFFFAOYSA-N 430.529 5.963 10 40 IKCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)cc1OC 9972880 GLSSXICNTRKBDZ-DKNZLLBESA-N 444.984 6.225 10 40 IKCB COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1 11868501 OBIADAXJYVPFDF-CQSZACIVSA-N 447.453 5.567 10 40 IKCB biogenic CCCC1=NN2C(=N)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N=C2S1 13893466 RJQCJRHXNXZWDJ-MJJUSULESA-N 433.320 5.673 10 40 IKCB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)ccc2O)N3)C1 15945722 XTKDSGVCZBCGGC-BBATYDOGSA-N 449.414 6.186 10 40 IKCB Cn1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 33741729 XBIGMQIORORRDX-LICLKQGHSA-N 429.364 5.347 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCCCCC4)cc3)cc2)CC1 44854080 RYZLZSPSUPSHJB-QHCPKHFHSA-N 433.640 5.790 10 40 IKCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1 83327780 QLLLXKNFCHTBAF-GZTJUZNOSA-N 441.270 6.069 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1 96505077 FSJCAFLGLWWCEI-XSFVSMFZSA-N 439.646 6.701 10 40 IKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1Cl 100524773 WLAXUCGCHMJPOO-GSWFEHRJSA-N 430.320 5.992 10 40 IKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 102712659 CRBAGAYXTWLVSR-CWNDDBTHSA-N 441.402 6.835 10 40 IKCB CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc(Cl)c1OCC 107822239 BGCUCHGQNKPXBY-BOPFTXTBSA-N 437.348 5.873 10 40 IKCB C[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 225671069 UIYZBTYTANWULG-UXHICEINSA-N 437.653 6.292 10 40 IKCB Clc1ccc(COc2ccc([C@@H]3Nc4c(ccc5ccccc45)[C@@H]4C=CC[C@@H]43)cc2)cc1 408736434 SOZAVCJVOHDHDT-PBWSGDRGSA-N 437.970 7.899 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(N(C)C)cc3)C2=O)cc1 408987834 YWENNIRPMUORQG-HEHNFIMWSA-N 444.962 6.276 10 40 IKCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 409167603 IWCZPXSLZNKQJV-DXBVXKBHSA-N 441.596 6.900 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1 409238260 MFXNXRPCZZYYBB-WGOQTCKBSA-N 435.527 5.649 10 40 IKCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc(Cl)cc1Cl 1439727 SGGRZUIMQJVHCF-UHFFFAOYSA-N 447.303 5.429 10 40 IKCB CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10216028 LPDDLBIBEDCDEM-GCJKJVERSA-N 426.925 5.748 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)SC2=S)cc1 12538175 YYLOVHFBLBIMOQ-KGENOOAVSA-N 434.542 5.075 10 40 IKCB CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 17094431 GRBMCMPSNNMWHV-NKFKGCMQSA-N 425.488 5.000 10 40 IKCB C/C(Nc1ccc(Br)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17097816 WOPRPDFLTBKJNH-PGMHBOJBSA-N 432.321 5.586 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 58884035 BAWMARXSCSJABQ-ODLFYWEKSA-N 430.331 5.994 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCOc3cc(C)ccc3C)c3ccccc23)c2ccccc21 409197353 CMMKIEKPGOCJMG-XIEYBQDHSA-N 436.555 6.244 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1O[C@H](C)CC 409330121 IZNHGUBFNPGQMW-HFITWMCCSA-N 443.590 5.677 10 40 IKCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c1 2363503 MBMBIZVDXIHPIS-BKUYFWCQSA-N 449.601 5.466 10 40 IKCB COc1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)cc1 2882397 VQTYZGYJOCRGIO-UYRXBGFRSA-N 449.981 5.028 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1 2914346 QYPQWTWKHXMJRR-UNOMPAQXSA-N 437.498 5.059 10 40 IKCB O=[N+]([O-])c1ccc([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)cc1 8431968 MEUOJOIESTUYCE-HXUWFJFHSA-N 439.393 6.069 10 40 IKCB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1 9293371 NUJQDXXDECVOPX-BYOKLEKTSA-N 432.336 5.040 10 40 IKCB CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12 19793005 TWPNWSURLIGMFG-UHFFFAOYSA-N 441.833 5.805 10 40 IKCB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 41076315 VULIADUIAFDMAF-XGLBLSKHSA-N 429.549 5.003 10 40 IKCB C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)cc2)C1 219238175 XTCFMSIMYVCQJA-DNVJHFABSA-N 433.640 5.646 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225030973 IIWMGDHHQXFFOS-RPWUZVMVSA-N 432.593 5.104 10 40 IKCB Ic1ccc(N=Nc2ccc(I)cc2)cc1 254411519 FHSRQGXDVXFRHU-UHFFFAOYSA-N 434.018 5.311 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2F)N1c1ccc(F)cc1 408752025 BGUYWXYKHGNWND-RGVLZGJSSA-N 429.253 6.106 10 40 IKCB CC1=NN(c2cc(F)c(F)cc2F)C(=O)/C1=C/c1c(C)n(C(C)C)c2c(C)cccc12 409033178 NIENXZMBJMUPDX-RQZCQDPDSA-N 425.454 6.062 10 40 IKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)c2ccccc21 409206012 LMOLIGSUOKQWOQ-KGENOOAVSA-N 435.365 6.072 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 409213865 VXOUXXXKPUFACC-XDHOZWIPSA-N 445.487 6.680 10 40 IKCB COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 409240396 KGLLQVLSKIMINT-ZDLGFXPLSA-N 439.364 5.474 10 40 IKCB Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1-c1ccc(OC(F)F)cc1 3372981 FECYTQHQYOPRKN-UHFFFAOYSA-N 435.373 5.013 10 40 IKCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1 9293278 BJTBUAJFOKDNGM-ODJOWLHGSA-N 445.573 5.187 10 40 IKCB CCOc1cc(Cl)c(Cl)c([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O 15947813 GDAVIIMNADPHBO-WNWIJWBNSA-N 427.353 5.713 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1C1CCCCC1 40006318 MFBXSWVPZUXGTE-STZFKDTASA-N 444.021 6.453 10 40 IKCB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58846415 RCANJZZOCJCVFG-VVZHRXSXSA-N 430.573 5.931 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1cccc(F)c1 59418255 NJGMCAROIXAAOW-CIAFOILYSA-N 439.508 5.950 10 40 IKCB CCN(CC)c1ccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c(O)c1 102487532 SVVYYRVASAXYKX-AREMUKBSSA-N 433.596 6.727 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(F)cccc1Cl 408788748 FWAIULYMOGRLBD-UKTHLTGXSA-N 440.685 5.663 10 40 IKCB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5cccc(Cl)c5C)c4C)c(=O)n3c2cc1C 409389378 AWFVYKHQOJWUHO-FMCGGJTJSA-N 447.991 5.443 10 40 IKCB COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C)c3ccccc32)S1 2181991 BKZXGYQIQNJGRG-XLNRJJMWSA-N 439.627 5.975 10 40 IKCB O=[N+]([O-])c1ccc(/N=N/C(Sc2nnc(-c3ccncc3)o2)=C(\O)c2ccccc2)cc1 13764044 ORHLCSDUXWGRGQ-LLOZJVFRSA-N 446.448 5.800 10 40 IKCB Cc1c(/C=C/c2nc3ccccc3c(=O)n2CCCO)c2ccccc2n1Cc1ccccc1 16850763 JEHPEZKRTYNRCN-WUKNDPDISA-N 449.554 5.261 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 33634683 UAFXTJXFQOYFGT-WQRHYEAKSA-N 439.298 5.034 10 40 IKCB Cc1cccnc1NC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 40149193 WLVWRMXFNZDNAL-UHFFFAOYSA-N 437.628 5.541 10 40 IKCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 106953501 PCWZRYYASMSICF-HAHDFKILSA-N 427.573 5.162 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 222789029 UCHRVOURDFNBRV-LEWJYISDSA-N 445.419 5.788 10 40 IKCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c2cccnc12 225672030 XJMKOVXAGKYEIN-MSOLQXFVSA-N 434.609 5.527 10 40 IKCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(C)c(Cl)c1 408532607 QMGPOTBELFPIFV-YBEGLDIGSA-N 432.749 5.746 10 40 IKCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 408706671 CCPCMLGVXFMYCD-INIZCTEOSA-N 442.346 5.393 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(F)c1 409216660 NLQNTZQLFBRWHZ-KEBDBYFISA-N 426.900 6.128 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OC(C)=O 409329450 FQXLVSLBWMSNSG-HMAPJEAMSA-N 449.553 5.570 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 9845878 YUGYZVLHWYWXOI-WQRHYEAKSA-N 430.331 5.878 10 40 IKCB COc1ccc(C(=O)Nc2cccc(/C=C3\SC(Nc4ccccc4)=NC3=O)c2)cc1 13039623 ZGKIXKDQMCLWCK-QNGOZBTKSA-N 429.501 5.030 10 40 IKCB Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 26681010 XRSRIVHDDIIKEX-HAHDFKILSA-N 431.582 5.975 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223121017 QTTFCDPUDXDGOA-JWQCQUIFSA-N 446.620 5.495 10 40 IKCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2[C@@H](C)CC1(C)C 223536807 SQLNRXBQOGTECE-OVBDPADQSA-N 445.563 5.082 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 408943354 SBAQRKZWUQEDJM-HYARGMPZSA-N 437.326 6.379 10 40 IKCB CC[C@H](C)n1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 409036584 LSRCXQQGMXSDJS-XKYMITNMSA-N 439.481 6.453 10 40 IKCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409195029 SOEDLVYMDILMFQ-UDWIEESQSA-N 444.940 5.198 10 40 IKCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1C 409221255 NODMTYCRPQPSEK-CIAFOILYSA-N 449.938 5.157 10 40 IKCB COc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2)N3)cc1 4062914 VSNYNWKZXCVVPL-RQTOMXEWSA-N 430.935 6.427 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1Cl 9232255 VQNVIULYTDQUGN-OVCLIPMQSA-N 430.765 6.061 10 40 IKCB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 9404941 KREUQFUDMSHKKD-XMMPIXPASA-N 430.577 5.309 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccn1 224424088 XLSQKEKVKVCYIW-RPWUZVMVSA-N 443.551 5.200 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1C 3768672 KEWRHGRYDNPNNW-IWIPYMOSSA-N 425.578 7.016 10 40 IKCB Cc1ccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)cc2C)cc1 8871864 RHCOUUJOXIOXNC-UHFFFAOYSA-N 442.587 5.571 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1CCc1ccccc1 8872093 JORNEGYIOUOTSM-XSFVSMFZSA-N 425.962 6.044 10 40 IKCB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 15912145 PCTBGMIMQIZDOX-BYYHNAKLSA-N 427.382 5.916 10 40 IKCB COc1ccc(/C=C\C=C2/C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C(C)(C)C)cc1 34860737 WGUNSZPAACSIAQ-NQBRTZROSA-N 446.444 5.949 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 40006337 OXVOVKKIIGLFBG-HRVJUDJTSA-N 445.993 5.299 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)CC1 44854026 PGDWTDOSYDSADX-NRFANRHFSA-N 437.603 5.151 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4cccc5ccccc45)C3=O)n2)cc1 100510759 XMAMWZYMTSQVTA-PLFNIDSXSA-N 441.516 5.847 10 40 IKCB CCOC(=O)c1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 100510931 GYICOCZDAFZWFB-RMBMZXQHSA-N 447.520 5.170 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 222882548 QFKJZBUFAPJUTG-ZCYQVOJMSA-N 432.637 5.742 10 40 IKCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408975624 BKCJNNIZBGEEBN-LICLKQGHSA-N 433.678 5.368 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 409154532 KGPOYMYHPINURS-WOVHNISZSA-N 427.569 6.812 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC 409328702 ADVIUNYFROWCQO-XSFVSMFZSA-N 429.563 5.289 10 40 IKCB CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409343306 GJIIPUXHDCXDAP-GIJQJNRQSA-N 438.401 6.434 10 40 IKCB O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 1022888 NUXIULFPJVAFPI-IMAQQZIHSA-N 447.376 5.854 10 40 IKCB CSc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 2532812 DYQOXWHJJNXQEA-UHFFFAOYSA-N 442.540 5.609 10 40 IKCB O=C1c2ccccc2C(=O)C12[C@@H](c1cccs1)C(c1ccccc1)=NN2c1ccccc1 3851655 VKBDXBZNISQWFJ-QHCPKHFHSA-N 434.520 5.574 10 40 IKCB biogenic Cc1ccnc(N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)c1 8453095 QLBQGAWRCKNQDY-NRFANRHFSA-N 434.883 5.715 10 40 IKCB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)CC)C2 8454294 CHMCAONONXEMOV-XHSDSOJGSA-N 449.613 5.295 10 40 IKCB Cc1ccc(C(=O)Nc2cccc(/C=C3\SC(Nc4cc(C)ccc4C)=NC3=O)c2)cc1 13041967 KJWREIBXDUVDKW-HAHDFKILSA-N 441.556 5.947 10 40 IKCB O=C(CCc1nc(-c2ccco2)no1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 84522603 UQCITIDNPFDASO-VWLOTQADSA-N 439.471 5.027 10 40 IKCB COc1ccc(-c2nc(-c3ccccc3)ncc2/N=N\c2ccc(C(F)(F)F)cc2)cc1 100914029 RDFXOUWQKOCTCL-KTMFPKCZSA-N 434.421 7.253 10 40 IKCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C 208503362 CARNARDCIJHXPC-DEDYPNTBSA-N 449.938 5.028 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222964837 DIACPPVACDFESU-PKTZIBPZSA-N 439.028 5.915 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 222966560 BHADTTMYQOCMRW-ZEQRLZLVSA-N 434.609 5.270 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 408587770 UJZWYQSXZNAFLU-KQWNVCNZSA-N 429.447 5.495 10 40 IKCB O=C1/C(=C/c2cccc(OCc3cccc(F)c3)c2)C(c2ccccc2)=NN1c1ccccc1 409090431 NFFBIEZZKBEHKF-ZXVVBBHZSA-N 448.497 6.239 10 40 IKCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409231453 KIZWVDJZYDPZFG-LBSLPOPVSA-N 444.556 5.157 10 40 IKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 409250679 NLNORZJSMCTVOD-VCHYOVAHSA-N 439.364 5.474 10 40 IKCB COc1cccc(OCCOc2ccc(C)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 9849645 YTKCIIYBYJVXTG-KOEQRZSOSA-N 442.515 5.268 10 40 IKCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4F)o3)SC2=S)c1 10232898 CWYKVRQXVADRCS-WOJGMQOQSA-N 425.462 5.190 10 40 IKCB O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O 13895778 CMZHLRFOVFYIBP-KRWDZBQOSA-N 427.323 5.208 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)ccc1Cl 14470777 RIKOIBZBXNCHGC-YMNVWFMLSA-N 430.118 7.035 10 40 IKCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)N=C2O)o1 20238466 SDSPCQIJGZJSFK-HYTQYMIGSA-N 445.431 5.227 10 40 IKCB COc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@@H]1CC=C[C@H]21 38568700 QMODIBWKRXABQU-ZEVJAHDQSA-N 442.515 6.317 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 41076366 KOAUDYXHVQNGCP-YZQMTWDLSA-N 438.940 5.799 10 40 IKCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1nnc(-c2ccc(Cl)cc2Cl)s1 101114211 NXVMSMNOTHUIBK-MHWRWJLKSA-N 444.347 5.539 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(Br)cc1 408839982 BZBQRXPRQNYAIA-HMMYKYKNSA-N 433.305 5.292 10 40 IKCB Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408874240 ZNGQZENFEJJZJG-LFVJCYFKSA-N 438.527 5.177 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)cc1 408883462 PUDXKSSDYSMUJJ-KGENOOAVSA-N 448.881 5.045 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409019669 KCPJCWAZAYVNCZ-SEJMYLSOSA-N 449.359 5.002 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2cccc(F)c2)C(c2ccccc2)=NN1c1ccccc1 409087452 CPECXSGRPZIAKQ-XHPQRKPJSA-N 448.497 6.239 10 40 IKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)SC1=S 409131425 JJLOCFXSPXHYAT-YVLHZVERSA-N 435.412 5.386 10 40 IKCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C 409241585 OTAZZQWSDAGWRT-PXLXIMEGSA-N 443.572 5.049 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S 3764349 FHUYXAYDYWPBAS-PDGQHHTCSA-N 444.002 6.798 10 40 IKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8821114 MTFRUWXRBPHOIQ-WOJGMQOQSA-N 425.853 5.591 10 40 IKCB O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1Cc1ccccc1 9805355 YCMKNCZTXTUJCG-QJOMJCCJSA-N 447.581 5.546 10 40 IKCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)N=C2O)o1 20238469 SDSPCQIJGZJSFK-CTFRJJSNSA-N 445.431 5.227 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cc(Cl)ccc4C)=NC3=O)cc21 208449394 GNJJLPPLPVLYHZ-NHDPSOOVSA-N 437.996 6.363 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc21 208471142 SUOJQFCUBUQFNI-NHDPSOOVSA-N 437.996 6.363 10 40 IKCB Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O 225666159 CMFIMSULGFSZDP-LJQANCHMSA-N 436.625 5.160 10 40 IKCB COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 408775309 SDBCVLOVBMLDML-RCCKNPSSSA-N 440.455 5.161 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc2ccccc12 408894615 RVDVZBDCBVKSQJ-STZFKDTASA-N 448.316 5.480 10 40 IKCB COc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 408975187 KCXRDRSBKUFAGI-UHFFFAOYSA-N 429.479 6.350 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl 409245403 SFJFMUOHOQYTDJ-XDHOZWIPSA-N 440.330 5.494 10 40 IKCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 884981 KLBKHYVFGYZOPM-LDADJPATSA-N 439.298 5.034 10 40 IKCB COc1ccc(OC)c([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1 6136519 HZYMXLLRPKVOHI-BXTJHSDWSA-N 433.289 5.135 10 40 IKCB Cc1ccc2[nH]c(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)nc2c1 13523409 LGOWSXNWBLXCBN-UHFFFAOYSA-N 433.533 5.025 10 40 IKCB Cc1cc2nc3s/c(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n3c2cc1C 408740833 MZLVMCPBRLDHME-WSDLNYQXSA-N 433.964 5.135 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Cl)N1c1ccc(O)cc1 408758575 MXMNEHCXANIOFZ-RGVLZGJSSA-N 443.717 6.187 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1 409030545 GEUSVHNXWFXUTG-BKUYFWCQSA-N 427.591 5.522 10 40 IKCB O=C(O)c1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1 1746495 KGUCSOFZIAPWJK-HMAPJEAMSA-N 441.533 6.097 10 40 IKCB CC(C)OP(=O)(OC(C)C)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 1869231 FCWHJPRBOKFDHS-OAQYLSRUSA-N 435.461 5.815 10 40 IKCB CC(=O)Nc1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 8456402 GCMLMVCXNLXJOT-BVMUCEKZSA-N 427.504 5.448 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 8493083 TVRXAPPPLJFOOY-YZQMTWDLSA-N 432.892 5.267 10 40 IKCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(Cl)c1Cl 8951600 LEGUTFWTYAUISL-GXDHUFHOSA-N 441.361 5.207 10 40 IKCB Cc1ccc(Sc2cc(NS(=O)(=O)c3cc(C)ccc3C)c3ccccc3c2O)cc1 8974177 IBVJGFHISQVSFV-UHFFFAOYSA-N 449.597 6.423 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1Cc1ccccc1 13603183 KJPDHMZPNBGITA-ODLFYWEKSA-N 446.380 6.655 10 40 IKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1cn(Cc2cccc(O)c2)c2ccccc12 32117147 VDBIAWGKJZCFRB-UYRXBGFRSA-N 427.887 6.030 10 40 IKCB O=C1/C(=C/c2ccc(Br)o2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl 59956917 CFOVKJMJOCYYDJ-SOFGYWHQSA-N 446.109 5.021 10 40 IKCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)c1 83327749 JEEWUJPJLYUDEA-KGENOOAVSA-N 446.890 5.734 10 40 IKCB CCN(CC)Cc1cc(C)c(O)c(/N=N\c2ccc3c(c2)c2ccccc2n3CC)c1C 104202363 JJSLUFHSPFTKPE-ZIADKAODSA-N 428.580 7.394 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1 223094370 HPTLWIODRHCZHX-LOSJGSFVSA-N 430.621 5.794 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1 224397709 ULXOVFQSZBRNTE-JWQCQUIFSA-N 442.563 5.805 10 40 IKCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 409241720 UAZTUIYOGFUBOP-BKUYFWCQSA-N 426.513 5.061 10 40 IKCB Cc1cc(-c2cc(NC(=O)c3ccco3)n(-c3ccccc3)n2)c(C)n1-c1ccc(F)cc1 3197577 XJWNJMCBRDCSEE-UHFFFAOYSA-N 440.478 5.931 10 40 IKCB Clc1cccc([C@H]2Nc3c(I)cccc3[C@H]3C=CC[C@@H]32)c1Cl 6444488 RPFZUFVCTNLFBZ-DINDLPBHSA-N 442.127 6.425 10 40 IKCB C[C@@](CCCCCCN=[N+]=[N-])(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95950112 MSKNYBLJPSFPBR-DEOSSOPVSA-N 436.512 5.629 10 40 IKCB COc1ccc(Nc2ccc(N/C(C)=C3\C(=O)N(c4ccc(OC)cc4)N=C3C)cc2)cc1 112291561 HSZNNCSEOSGNPL-UQQQWYQISA-N 442.519 5.556 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(Nc3cccc(Cl)c3)=NC1=O)[C@H](C)CC(C)(C)N2C 208233071 LWVIVGFTBNTCPW-ZGFXFUDXSA-N 440.012 6.453 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 222882608 QFKJZBUFAPJUTG-NOZRDPDXSA-N 432.637 5.742 10 40 IKCB Clc1cccc(Cl)c1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 226895818 XYASBMZXQUOUGC-FTLABTOESA-N 442.127 6.425 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)S2)cc1 408783853 NTSIJERFZHPGHZ-LWUPDDLQSA-N 433.577 5.265 10 40 IKCB CC(C)Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 408875129 DHJQEFQULWNKFM-UHFFFAOYSA-N 442.540 5.222 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C 409019538 ZPSYTOGJCHOTBM-UCQKPKSFSA-N 444.531 5.177 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1OCC 409343256 DESLDOFTXGWVCI-JCMHNJIXSA-N 435.570 6.043 10 40 IKCB Cc1cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c(C)n1-c1ccccc1 3286664 LQZYUFDKZMDEBU-UHFFFAOYSA-N 426.611 5.665 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)SC2=S)cc1C 9187047 KEWRHGRYDNPNNW-BUVRLJJBSA-N 425.578 7.016 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 16678585 RIHCDKNDTJVAME-UHFFFAOYSA-N 425.488 6.340 10 40 IKCB CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N(c2ccccc2)C1=O 59138875 DTUGNLRWIRPGFC-VBKFSLOCSA-N 441.270 5.262 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2ccc(Br)cc2)C1=O 408757789 CBOOYLDKPZPGKZ-HMMYKYKNSA-N 433.305 5.292 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2cccc(C)c2)cc1 408761081 HLRAWDRONXGJFB-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 14010569 AUIBSMVRJKNJQN-DWGAWOTKSA-N 440.543 5.528 10 40 IKCB CC[C@@H](C)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Br 17095318 UASYUVIHYUYAAC-VUFYJBQKSA-N 427.342 5.680 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1OCc1ccccc1 33319783 GMSQHSMYDPMWBB-STZFKDTASA-N 442.471 5.089 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 58865630 JZTWRNUOBODNMH-UHFFFAOYSA-N 447.314 5.716 10 40 IKCB CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225691841 FGPGLRDNCDQSGP-MRXNPFEDSA-N 446.016 5.240 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1 408767359 ZWXSUNGBXUBDTK-IBZADVPGSA-N 443.974 7.333 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1C(=O)c1ccccc1Br 408822761 VSIDWLHRABMOTH-NTEUORMPSA-N 438.755 5.144 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccccc1 408936883 LFRRYXWTVIIXRG-XQNSMLJCSA-N 440.499 5.106 10 40 IKCB Cc1cc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c(C)c1 409075057 SSGSPQPFFGUYLS-WSDLNYQXSA-N 433.939 5.770 10 40 IKCB Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1Cl 409152468 JVRVHLMAEQRJGG-XHNVNVPESA-N 438.423 8.112 10 40 IKCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 1462024 FSVNRGYTDNJSHU-STZFKDTASA-N 449.601 5.548 10 40 IKCB O=C(O)CCCCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 4136162 MDQAAYABMGVSER-HKWRFOASSA-N 441.574 5.112 10 40 IKCB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1 9233242 HNUHRZUBPWLFRX-BYOKLEKTSA-N 432.336 5.040 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCC[C@@H](C)C2)c1O 9233516 GPGRJNRGDXNHRD-OAHLLOKOSA-N 434.561 5.570 10 40 IKCB biogenic O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(/N=N/c2ccccc2)cc1 12660610 IPPYPJUNOJUWGR-OCEACIFDSA-N 428.275 6.204 10 40 IKCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1OC 14406631 KAMFQDFAJYVRRV-STZFKDTASA-N 435.520 5.095 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccncc1)N1CCCC1)c(O)c1ccccc12 15441715 WPFPELDJDYOPHN-HSZRJFAPSA-N 430.504 5.357 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c(Cl)c4)ccc3o2)cc1 16678589 MTJPFOGKDAEMDZ-UHFFFAOYSA-N 449.938 6.255 10 40 IKCB CCOc1ccccc1N1C[C@@](O)(c2ccc(C3CCCCC3)cc2)[N+]2=C1SCCC2 27525076 ACUMKXDALSIZSA-AREMUKBSSA-N 437.629 5.304 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)C1 219688365 YDXCGXIPHYGFRX-KZNAEPCWSA-N 445.401 5.330 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 222972337 RNCCSMHDFKUWEQ-RSXGOPAZSA-N 446.664 6.133 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 408903252 WKPGMWXENGMXLD-KGENOOAVSA-N 448.525 5.580 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)SC1=S 409005482 FBNNMAYABKZVMG-YVLHZVERSA-N 437.945 5.288 10 40 IKCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2F)SC1=S 409369397 MHBQGFODYOWJTJ-VGOFMYFVSA-N 442.324 5.070 10 40 IKCB CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 3458318 NUEXFXAJNSWXCT-UHFFFAOYSA-N 431.319 5.621 10 40 IKCB CN(C)c1ccc([C@H](N2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 4575597 UKRLTVSHGLFKQM-RNAHPLFWSA-N 425.557 5.327 10 40 IKCB N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 41107951 SKVUQJDORGERJJ-JSIBOBQWSA-N 436.562 5.372 10 40 IKCB Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccco2)cc1 44086197 RRHIDCGSTCSWGH-UHFFFAOYSA-N 437.952 5.884 10 40 IKCB CC(C)N1c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223564572 ZPCVYPNQWLJHMF-CPEHUTGBSA-N 436.646 6.593 10 40 IKCB CCN(CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1 225733686 KHJXGANCXDOVEP-UHFFFAOYSA-N 449.689 6.490 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)N21 260759058 DYUQYWLLJGAXCP-LEOXJPRUSA-N 446.576 5.167 10 40 IKCB Cc1cccc(C(=O)N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)c1 408719448 MNRXWRUTNHMYHG-HAHDFKILSA-N 439.561 6.343 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 9076595 HMELNVRBDFFHHJ-GIKSKMNSSA-N 441.531 5.274 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223585454 LJIJVXCEOGANSK-QCYAWUEASA-N 448.632 6.652 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(F)c1 225015137 VVTYFBBXHOEWSI-RPWUZVMVSA-N 434.584 5.543 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2F)N1c1ccc(O)cc1 408754502 KORKCPJBPRNVHF-DEDYPNTBSA-N 437.268 5.128 10 40 IKCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O 409107949 YSXDWVHNSRNZSO-HZHRSRAPSA-N 432.545 5.729 10 40 IKCB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)c1c3c(n4ccccc14)C(=O)c1ccccc1C3=O)C2 2686091 LBLNXFXDMUUCNF-KMNVGERZSA-N 427.500 5.086 10 40 IKCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8821813 BXEHPQJWJOCRJA-CJLVFECKSA-N 449.963 5.393 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1CCOc1ccccc1 9188777 UIRNBNXDSYYJSQ-QJOMJCCJSA-N 447.581 5.546 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] 9296586 ZELBFJLHMKQMPN-OVCLIPMQSA-N 440.424 5.028 10 40 IKCB Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2c1 9307727 KIPOULNUPYUPGH-HRXHUYTNSA-N 433.581 5.764 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1Cl 13940790 PDZIYEBXXWIGLG-QLSUFNALSA-N 445.931 6.213 10 40 IKCB Cc1cc(/N=N\c2c(O)nc3ccccc3c2O)ccc1/N=N/c1ccc(C(=O)O)cc1 104389031 RYASJVSJGCGYQA-MPCWFZQZSA-N 427.420 6.483 10 40 IKCB S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccc(Br)c(Cl)c1 225417163 GPKOHOYDYMGGIR-UHFFFAOYSA-N 438.822 5.579 10 40 IKCB Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 250503873 JOUMBLBLQLDIEG-TVZXLZGTSA-N 426.357 7.582 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)cc1 409199874 FDALXQBKCMGMJZ-XDHOZWIPSA-N 449.513 5.496 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 409231905 LUERQYIALOIXKK-RGVLZGJSSA-N 440.330 5.494 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O 2284814 YISBWUZYCSWQRM-PXNMLYILSA-N 426.346 5.504 10 40 IKCB COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 2356426 NUCYXZFCPMAJFV-UHFFFAOYSA-N 436.463 5.884 10 40 IKCB Cc1ccc(-c2ccc(C(=S)N3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)cc1Cl 8843395 JPVZEVQJXSZSNV-UHFFFAOYSA-N 441.940 5.314 10 40 IKCB COc1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 12275527 UJYWKZHEMNSXDF-VHDJGTGISA-N 432.910 5.132 10 40 IKCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCC(Cc3ccccc3)CC1)c2Cl 12623908 SQHRALMPEWJJFF-UHFFFAOYSA-N 443.930 5.210 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1C1CCCCC1 16450035 KSYHMYFRLRRWLY-STZFKDTASA-N 444.021 6.453 10 40 IKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc(-c2ccc3c(c2)OCCO3)on1 20896664 NEGMNGZWYCIKRP-CYYJNZCTSA-N 426.432 5.781 10 40 IKCB CCCCN1/C(=C/C=C/C2=[N+](CCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 25762316 YYSLZUFSTWSEKA-UHFFFAOYSA-N 441.683 7.901 10 40 IKCB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1 34106769 CYWBBUYENBOXOD-CPNJWEJPSA-N 427.547 5.267 10 40 IKCB Nc1c(Br)cc2c(c1Br)Cc1cc(/N=N\c3ccccc3)ccc1-2 100182692 CBCIPUKBHDNHAL-VHXPQNKSSA-N 443.142 6.780 10 40 IKCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 223199670 IXFXBXXOHOILLK-JIPXPUAJSA-N 434.624 5.837 10 40 IKCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCc3ccccc32)nc1 223953150 XTDBWLQGVRFNEJ-UHFFFAOYSA-N 443.620 5.253 10 40 IKCB Nc1ccc(/N=N/c2ccc(N=Nc3ccc([N+](=O)Nc4ccc(N)cc4)cc3)cc2)cc1 368053670 SNRNIIGNQOUIFB-WHJYEUHNSA-N 437.487 7.119 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2F)cc1 408764201 WJSPDGJEGNQFNT-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(S)c2ccccc12 409042336 KGFKMMUACZMHLW-MDWZMJQESA-N 434.389 5.630 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(c2ccccc2)=NN1c1ccccc1 409079716 LXYKAAKGUFQQHP-ZXVVBBHZSA-N 448.497 6.239 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 409157961 QSVHYYHCRLBXIH-YPCDYVTLSA-N 428.557 7.022 10 40 IKCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 409167606 IWCZPXSLZNKQJV-OASJLCFRSA-N 441.596 6.900 10 40 IKCB O=C(N[C@@H](Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 6446070 RUGXSZXNFBPZKD-CFZMGFRKSA-N 440.528 6.214 10 40 IKCB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1 8821423 IIPWUQMROFPFTC-UDWIEESQSA-N 439.945 6.208 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1 35039947 XNQAJTJYLBQXBV-NDENLUEZSA-N 436.514 5.877 10 40 IKCB Cn1c(/N=N/c2c(-c3ccccc3)n(C)c3ccccc23)nc2ccc(Br)cc21 97944370 ZEEUIUYOISINRC-CYYJNZCTSA-N 444.336 6.910 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C 222781149 BLIWCGSLZYVJJJ-LOSJGSFVSA-N 426.589 5.635 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 408986623 RPGAFSXVYXRHOB-SFQUDFHCSA-N 437.282 6.373 10 40 IKCB COc1ccc(S(=O)(=O)Nc2cc(-n3c(C)c(C)c4ccccc43)c(O)cc2C)cc1 16807687 OAAFBTRGXMBWAF-UHFFFAOYSA-N 436.533 5.071 10 40 IKCB Oc1cc2c(cc1CN1CCN(C(c3ccccc3)c3ccccc3)CC1)oc1ccccc12 22030374 VLYDRZCQWUQXCB-UHFFFAOYSA-N 448.566 6.199 10 40 IKCB COc1cccc2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 58928568 RWJZYQVILKSGJH-SLSDLSHTSA-N 428.488 6.009 10 40 IKCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)cc1 59435732 FUJWCVZOLRJWMR-BOPFTXTBSA-N 432.303 5.269 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225018618 SWLLFWJCRCULBX-IZZNHLLZSA-N 444.648 6.021 10 40 IKCB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S1 408807912 LPSKCEOMIAKSKJ-UHFFFAOYSA-N 446.596 5.791 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 408873937 XNCGOZZWXRPITD-HAHDFKILSA-N 446.934 5.625 10 40 IKCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 11859523 WVDIMIVWIGYONS-GLDPYIMESA-N 441.402 6.836 10 40 IKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1-c1ccccc1 224450023 QWBALFXTCDIIPV-RPWUZVMVSA-N 428.536 5.497 10 40 IKCB Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2)cc1C 408725303 DXRBHUBDAYFPEU-AMQQTSRNSA-N 429.501 6.665 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3Cl)C2=O)cc1 408985946 ODJZYLSMFZNXJS-XDJHFCHBSA-N 436.338 6.863 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1C 409138347 AHYLZXBDMMWBKI-KOEQRZSOSA-N 444.600 6.380 10 40 IKCB CN(C)c1ccc([C@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1Br 1874489 GEBLKFDINOEXGN-JOCHJYFZSA-N 433.349 5.930 10 40 IKCB CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2696750 SKHCQVCSQOPQOX-HYTQYMIGSA-N 444.578 6.272 10 40 IKCB CCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(Cl)cc(Br)c2O)cc1 9833476 KRBAMGDOZJABOZ-FMQUCBEESA-N 446.754 5.254 10 40 IKCB COc1ccc(/N=N/c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)s2)cc1 16216066 RHQVKIBSKJXMOU-CYYJNZCTSA-N 445.544 7.659 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(Cc4ccc(C)cc4)C3=O)cc2)cc1 16292347 KBAPPFNMPVEQRD-IWIPYMOSSA-N 445.609 6.284 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 35223930 YCWQSERZYUZDGC-ZQIUZPCESA-N 449.142 5.736 10 40 IKCB Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 58851403 MLNJKKSMCCNNRR-VBURHUQHSA-N 426.774 7.725 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)N21 222701986 UAVJJNWGUZEXSL-PMWMKWCKSA-N 444.648 6.394 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408820502 WQBNTIYWOWTROP-XKZIYDEJSA-N 436.508 5.478 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OC(C)C 408904234 GVZYPKMXLWPPBZ-LICLKQGHSA-N 429.314 5.051 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 408904344 ICGBQPGSPANSKU-KGENOOAVSA-N 445.906 5.164 10 40 IKCB Nc1c(C(=O)c2ccc(Cl)cc2)sc(Nc2ccccc2)c1-c1nc2ccccc2[nH]1 8382954 KRGSCBJQFLOTJV-UHFFFAOYSA-N 444.947 6.502 10 40 IKCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 100147494 NMIUSRFVQQDAHM-GZTJUZNOSA-N 441.270 5.758 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4cccc(Cl)c4C)C3=O)n2)cc1 100524971 IMXXYFUTBZSCJP-WWDJGNSZSA-N 439.928 5.656 10 40 IKCB C/C(NCCSc1ccc(C)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112290231 SGPOALVJZKTPMF-GFMRDNFCSA-N 427.573 5.402 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(C)c(C)c4)=NC3=O)cc2[C@H](C)CC1(C)C 208309622 DQTQSNCRNAPVGS-NLKUQUHMSA-N 433.621 6.498 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1 222829861 NOTFCFYTZJFMCF-FCHUYYIVSA-N 425.001 5.523 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3cccc(Br)c3)cc2)CC1 225654160 AXSNBYYFFZHSAF-INIZCTEOSA-N 432.431 5.733 10 40 IKCB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl 225655920 FRLQZIFWVHBECQ-MRXNPFEDSA-N 446.016 5.411 10 40 IKCB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225670363 DPELDEDPWLFOQJ-IEBWSBKVSA-N 439.625 5.456 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)S2)cc1 408789186 KMSKHJAAOJBVNH-SJJVXOANSA-N 431.605 5.819 10 40 IKCB CCOc1cc(C)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1C(C)C 409052438 HLUXSFPAFRQSCK-XKZIYDEJSA-N 425.619 6.227 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 409339666 KGMLBAATSDCLJV-CPNJWEJPSA-N 433.982 5.933 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 2068425 KLPBEOSZXGBESI-PXLXIMEGSA-N 433.554 5.680 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1OC 2256917 MYTDWGWNCPAQJF-JCMHNJIXSA-N 449.553 5.902 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3cccn3Cc3cccc4ccccc34)C(=O)N=C2O)cc1 2261193 LYJKZUWOFHXKTP-KOEQRZSOSA-N 449.510 5.123 10 40 IKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 13669092 QCIRJJPEXHTMGE-UHFFFAOYSA-N 439.603 5.165 10 40 IKCB Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S1 208195384 RGLKUCHVFZCQQU-HKMXWPIPSA-N 440.012 6.453 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3F)cc2)C1=O 408870038 UNOCQBVJQAITIQ-XMHGGMMESA-N 448.881 5.045 10 40 IKCB COc1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1OC 1461972 MEFSZRVSQIJVBG-NJSLBKSFSA-N 433.289 5.135 10 40 IKCB CCCCN(C)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12 1770992 DDDLJALEPPQOIV-UHFFFAOYSA-N 439.861 6.070 10 40 IKCB biogenic Cc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2302384 JMDBTMFUASRSSI-IRXDYDNUSA-N 439.515 5.705 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1C 3768730 ZIUIATGJJZHONR-HAHDFKILSA-N 431.582 6.288 10 40 IKCB CCOc1cc(Cl)c(Cl)c([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O 15947815 GDAVIIMNADPHBO-RBHXEPJQSA-N 427.353 5.713 10 40 IKCB CC[C@@H](C)c1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 33391787 FUORUULZHCKFKL-VULIGXMUSA-N 441.618 5.879 10 40 IKCB O=C(NN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S)c1ccc(Cl)cc1 409341959 CZVFLDXUEYTFEF-PDGQHHTCSA-N 440.933 5.146 10 40 IKCB COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccs2)sc2c1CC[C@H](C)C2 2072945 WFEHVHBOQAKCFD-ZDUSSCGKSA-N 447.025 6.461 10 40 IKCB aggregator CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1 9293290 LZCKUTPMXDHPRI-CXJFQJJYSA-N 447.608 5.910 10 40 IKCB Cc1cc(=O)oc2c1ccc1c(O)c([C@@H](c3ccc4c(c3)OCO4)N3CCCCC3)ccc12 12444970 YZBVOKVEKLNDKS-RUZDIDTESA-N 443.499 5.264 10 40 IKCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2=C(c3ccccc3)SCCO2)cc1 20733240 PNQKQUYWOQCZJW-UHFFFAOYSA-N 434.561 5.007 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(Br)c1 107963305 IZFRPPGBNWPJTK-ZHZULCJRSA-N 448.316 5.480 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 112292732 GINXRHAARGYWNU-ULJHMMPZSA-N 438.556 6.380 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214389064 SMROIGVBXMOTKQ-YBFXNURJSA-N 433.360 5.830 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408815972 WDHFMHYJFWDFGG-XKZIYDEJSA-N 436.508 5.478 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 409066263 MQQVNPLIBVZNLG-JAIQZWGSSA-N 426.303 5.498 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)c(OC)c3)SC2=S)cc1 409328939 AUFYSAYEQJZYSI-UDWIEESQSA-N 429.563 5.144 10 40 IKCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccnc2Cl)c(C)n1-c1ccc(OC(F)F)cc1 3288431 JIIOXPRRPHJZOR-CQSZACIVSA-N 448.853 5.172 10 40 IKCB COc1ccc(-c2cc(-c3ccccc3)nc3c2CCC/C3=C\c2ccc(N(C)C)cc2)cc1 8431169 UKFOJVBTRQEULU-LKUDQCMESA-N 446.594 7.367 10 40 IKCB CC(=O)[C@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9009931 HXHIWHPHFWOLRQ-ZNZIZOMTSA-N 433.507 5.017 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1 16678645 AAVCBAKISWEWKA-UHFFFAOYSA-N 434.521 5.061 10 40 IKCB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1 41108132 NUJQDXXDECVOPX-HZWMVPBHSA-N 432.336 5.040 10 40 IKCB N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 80348236 SEUQEJOCTJXBPB-YZFBNTCLSA-N 435.347 5.022 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccccc1OCc1cccc2ccccc12 208666373 MQBHGHNCGWBLTA-UQQQWYQISA-N 436.536 6.501 10 40 IKCB Nc1c(C(=O)Oc2ccc(F)cc2F)sc2nc3c(cc12)C[C@H](c1ccccc1)CC3 215681846 QFQJZLOFNXDCDL-CQSZACIVSA-N 436.483 5.648 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 222880774 OLSNNKKXQDERNI-DHIUTWEWSA-N 439.028 5.833 10 40 IKCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C 408757261 LNABCDGKMQNZKS-XYGWBWBKSA-N 434.543 6.065 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2Cc2ccccc2F)C1=O 408876361 OBADIZGFSOJKPO-XMHGGMMESA-N 448.881 5.045 10 40 IKCB CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc21 409029373 ACZAPTUKFUJJFP-UKTHLTGXSA-N 447.407 5.780 10 40 IKCB COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)SC2=S)cc1 409140048 PRXDWXJHTMORNG-BKUYFWCQSA-N 426.607 5.630 10 40 IKCB Oc1c(Br)cc(Nc2c3ccccc3nc3ccccc23)cc1Br 5011894 AWWDWKSZGJPJJM-UHFFFAOYSA-N 444.126 6.362 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 13547488 DTNLVIHPKKOAPN-CLCOLTQESA-N 433.621 5.458 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c(Cl)c1 16157389 MWPIHIXYMYKFQK-SNUQEOBHSA-N 442.127 6.425 10 40 IKCB Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1-c1ccc(C(C)C)cc1 32903773 ORMFEYZTMAAHDJ-UHFFFAOYSA-N 442.563 5.268 10 40 IKCB COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccnc4)C3=O)o2)cc1 108082862 WJZJEZMJNZJYJZ-CJLVFECKSA-N 448.478 5.600 10 40 IKCB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 224352852 VOWYOMNCXVSCQA-FTJBHMTQSA-N 438.600 5.920 10 40 IKCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1c(C)nn(Cc2ccccc2Cl)c1C 408532425 MPQGOAZQLNYXPF-BKUYFWCQSA-N 433.943 5.229 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3C)C2=O)cc1 408766574 VPRDPYNPAGVYDD-RGEXLXHISA-N 436.338 6.782 10 40 IKCB COc1cc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OC 409170114 SZEIUUVBQHVDJL-YRVVQQKDSA-N 444.325 5.299 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)C 409342186 CQAGIZGEOQZPRZ-KEBDBYFISA-N 443.546 5.007 10 40 IKCB O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 706009 NUXIULFPJVAFPI-LPTDTENNSA-N 447.376 5.854 10 40 IKCB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1 9188924 OSFLXEZAYKROSV-QOMWVZHYSA-N 438.596 6.279 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccccc1F 23402455 WCQMCXWLAAGMBQ-WQRHYEAKSA-N 426.450 5.400 10 40 IKCB CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 35043011 JHJFKHAQPQXHTC-JCMHNJIXSA-N 447.516 6.280 10 40 IKCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1cccc2ccccc12 58866046 KUAUHPDNDOLISS-UHFFFAOYSA-N 444.483 5.181 10 40 IKCB COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C)cc2)N3)cc1 107174490 IBIOMFGDGXSFOT-PLXFJCCSSA-N 446.572 5.631 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409127321 QOMBCSDMDLYESX-HZHRSRAPSA-N 437.609 5.777 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)cc1 409330548 KRFOGKAYGJXKHZ-XQNSMLJCSA-N 446.597 5.737 10 40 IKCB CC(C)CN(Cc1c(O)ccc2cc(-c3nc4ccccc4s3)c(=O)oc12)CC(C)C 1797711 UPXPCGGBDMDCRW-UHFFFAOYSA-N 436.577 5.889 10 40 IKCB O=[N+]([O-])c1ccc([C@H](Nc2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)cc1 1799288 MEUOJOIESTUYCE-FQEVSTJZSA-N 439.393 6.069 10 40 IKCB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccccc1F 3672739 CWRMBSVULOHESE-DEOSSOPVSA-N 436.918 5.473 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 9210712 HAHUXXAJSQJUFM-YENWFTGLSA-N 439.972 5.413 10 40 IKCB Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc(C)c1Cl 28287543 JRUVXOVXTZRWLZ-LJQANCHMSA-N 437.971 5.419 10 40 IKCB CCN(CC)c1ccc(CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccn2)cc1 28291155 RFJUSIHRRYJTNL-UHFFFAOYSA-N 428.363 6.082 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1 59535719 QSXAZTQGJUDOOJ-DHDCSXOGSA-N 426.346 5.504 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c(C)n1C1CCCC1 96476602 SKSLANBCEQHXQR-YBFXNURJSA-N 427.957 5.545 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)c(Cl)c2)cc1 408788380 FBIIOFJWXMEHOJ-LDADJPATSA-N 434.854 6.167 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 409154793 HMNQUAMFGCMYDS-JCYRPKCISA-N 428.557 7.022 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)c1 409338456 KHNSWRBZMYHPND-OVCLIPMQSA-N 438.393 5.282 10 40 IKCB CC[C@H](C)c1ccccc1OCCn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21 1191370 NFNRIUJBBWORJR-VOMLJKFNSA-N 436.602 5.723 10 40 IKCB C[C@@H]1C=C(/C=C2\SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)c2ccccc21 8828418 AMCYYUHFAOTLBB-RGVUVNHFSA-N 434.870 6.485 10 40 IKCB Cc1cccc(-n2nnc3c4c(c(Nc5ccccc5)cc32)C(=O)c2ccccc2C4=O)c1 8836487 ADTOVCGDVZNVCZ-UHFFFAOYSA-N 430.467 5.248 10 40 IKCB CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1 9262616 OHVOFPPEONIYGM-ZHZULCJRSA-N 448.569 5.386 10 40 IKCB Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccsc1 10215251 GORQYQJYNCVMMB-FXAWDEMLSA-N 427.323 5.459 10 40 IKCB COc1cc([C@@H]2Nc3c(ccc4ccccc34)[C@H]3C=CC[C@H]32)cc(Br)c1OC 28212841 RNDUVUOEOQNPKG-SVMVAKDDSA-N 436.349 6.446 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2F)ccc2ccccc12 34878475 NPRJIXAZFASGEL-KQWNVCNZSA-N 438.458 5.019 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1Cc1ccccc1 59417956 DGMQRTOPILWXGT-WQRHYEAKSA-N 446.380 6.655 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222964483 BYPBIKMZPNPRMC-GOTSBHOMSA-N 439.028 5.915 10 40 IKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223586506 XFRCPIIWEXELFG-RIWZNOJBSA-N 435.543 5.339 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2)cc1 408992744 BLEQMVJKEYMYBP-CJLVFECKSA-N 447.332 5.682 10 40 IKCB Cc1cccc(COc2ccccc2C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)c1 409160923 KKUPBCKFLVBQKP-DEOSSOPVSA-N 447.625 5.588 10 40 IKCB Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc(I)cc1 409193424 KEDICIJYPDZMHP-UHFFFAOYSA-N 430.314 5.975 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 9293449 CBZLEZKPRBPUDJ-GICBFTDPSA-N 425.945 5.085 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)C(=O)NC2=S)cc1 9295830 ZIQIAFZHIZZHMR-LKBVRNOZSA-N 449.359 5.044 10 40 IKCB O=C1N=C(O)/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N1c1ccccc1 20238517 GNBFCCYLHDHDBH-HKWRFOASSA-N 440.480 6.091 10 40 IKCB O=C(Oc1ccc(Cl)cc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 25843812 LRVYHDMZOZVDLW-UHFFFAOYSA-N 434.882 6.962 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1c(Cl)cccc1Cl 35339551 KSPVQJLIMYSQPO-AQTBWJFISA-N 438.310 6.024 10 40 IKCB O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 59135642 HHFIZRNYUBBSIE-DEDYPNTBSA-N 434.398 5.051 10 40 IKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1 103917101 GULPJKVFODPTSN-BOPFTXTBSA-N 427.327 5.167 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1 408969059 GMWHGASLDYEEPJ-ZHZULCJRSA-N 440.396 5.753 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC1=S 409127474 QFYMPEXIAPJASU-MOSHPQCFSA-N 426.538 5.081 10 40 IKCB COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 3768983 WFPFGPKGJCNDEF-YBFXNURJSA-N 429.925 6.047 10 40 IKCB Clc1ccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1 6445339 DACBWLIZQKHTQJ-NVGCLXPQSA-N 442.127 6.425 10 40 IKCB O=C(O)CC/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 33586239 XYGKXMABQWTMLL-VKAVYKQESA-N 437.521 5.600 10 40 IKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 59437000 WMCFFGFQUFWHNJ-UMFSSWHCSA-N 445.946 6.752 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(=O)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C 223613453 PIECXKZCPLFOBZ-NLKUQUHMSA-N 434.605 6.737 10 40 IKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1I 408965186 HEHJXJYDBMXCES-UHFFFAOYSA-N 438.106 5.820 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21 409166473 DVXRIKIOZGPRHO-ZJNRKIDTSA-N 435.159 6.047 10 40 IKCB CC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9009932 HXHIWHPHFWOLRQ-TWJOJJKGSA-N 433.507 5.017 10 40 IKCB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1Cl 9188922 QHWJDDIBNNTUAP-MOSHPQCFSA-N 431.388 5.918 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 13940299 JWKIAHBGGPILMU-AQTBWJFISA-N 439.298 5.034 10 40 IKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=N)N12 103563276 BFDWUEFQAVLBKZ-JFBLTNLISA-N 431.348 5.568 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1 223458199 POESCYLHAQPPMQ-DQEYMECFSA-N 439.588 5.057 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccn1 224156967 DNLKMAIQSPYVTK-DNQXCXABSA-N 425.561 5.061 10 40 IKCB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225655959 VSTIHRFCNSQKRK-INIZCTEOSA-N 446.016 5.411 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 225665438 VCRXJEYRNKMNKH-SFHVURJKSA-N 425.598 5.210 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409351129 ZMVZYHQVUOCNAY-MOSHPQCFSA-N 436.514 5.553 10 40 IKCB CCC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 856814 MGXGZBQGUWYKSQ-AHWVRZQESA-N 436.640 5.870 10 40 IKCB biogenic Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1 8821803 HYELTKQPBGQLRP-YBFXNURJSA-N 438.892 5.689 10 40 IKCB C/C(Nc1cc(C)cc(C)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17102611 HHAKRJCVIREBPL-NKFKGCMQSA-N 438.556 6.050 10 40 IKCB COc1ccc(Br)cc1[C@H]1Nc2c(OC)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 20058213 JEBCZXMFVXGEIS-KSMMKXTCSA-N 431.286 5.201 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1Cc1ccco1 33295263 LIVFHSQJGKRWAA-MFOYZWKCSA-N 436.341 6.248 10 40 IKCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccc(C)c(C)c3)=NC2=O)cc1OC 33590846 COMNHXLMCLWKTR-DKNZLLBESA-N 444.984 6.225 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)cc1 59137969 MNLXXARIYNRYRJ-FOWTUZBSSA-N 438.505 5.550 10 40 IKCB [N-]=[N+]=NCC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 97965262 FANNRODASUFRCI-BCAKAMLXSA-N 440.334 6.427 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 100148399 ZICHOZJYRZRODI-JLPGSUDCSA-N 438.918 5.999 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830661 YFAMMWDNLFTCST-WQRHYEAKSA-N 426.450 5.400 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 208253778 BYCHUIJJSGNPEZ-SJJOQSKNSA-N 437.971 5.463 10 40 IKCB Cc1cc2c(cc1/C=c1\sc3nc4ccccc4n3c1=O)[C@@H](C)CC(C)(C)N2C(C)C 223605157 DKLKLRYNMZSJEG-ICODJCHTSA-N 431.605 5.266 10 40 IKCB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 225665056 PNZBNUMFIBIFGY-OAHLLOKOSA-N 431.989 5.165 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC1=S 409006420 JJUQSVCCGNCWOC-SXGWCWSVSA-N 442.364 5.933 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409062430 USVLJTYFNUWDBL-UQQQWYQISA-N 440.543 5.670 10 40 IKCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1C 409235135 ANDMUCPMEWOSRH-CIAFOILYSA-N 449.938 5.157 10 40 IKCB O=C(CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1cccc(O)c1 1800067 CTHULZQHYLUHGJ-XMHGGMMESA-N 426.563 5.428 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 8821759 VHXLQGZIDJZASY-HAHDFKILSA-N 448.975 6.564 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 9281739 CTMOWMGLAVFBDG-DHPBROCDSA-N 447.608 5.856 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 12629629 CPZALUKFJMLWIN-MOSHPQCFSA-N 436.514 5.823 10 40 IKCB O=C1c2ccccc2C(=O)[C@@H]2CC3=C(CC4=C(C3)C[C@H]3C(=O)c5ccccc5C(=O)[C@H]3C4)C[C@H]12 16919178 VAYZZDIZEPUMDU-POYMRFPPSA-N 448.518 5.584 10 40 IKCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O 260572375 UZDNCHARNPYWDT-XRVUZATCSA-N 444.597 5.093 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c2C)cc1 409213147 STAFBCUKHANCTG-KQWNVCNZSA-N 432.545 5.382 10 40 IKCB CCCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S 409327085 HSDDWQUVBXMVIQ-ZDLGFXPLSA-N 438.401 6.184 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 8438830 SUOUTGUUGMXRFU-BKUYFWCQSA-N 436.964 6.605 10 40 IKCB O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21 12374591 NUXIULFPJVAFPI-GQSCTRQFSA-N 447.376 5.854 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1 33365115 CTYGDGZWDAQAKK-RGVLZGJSSA-N 437.858 5.393 10 40 IKCB C/C=C/c1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c(OC)c1 41077635 QVXRKVSZWSBUQH-YMJDNYJDSA-N 441.574 5.017 10 40 IKCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260839072 HMCIACNNQLQZDF-GNMOFYLKSA-N 434.624 5.837 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 408535319 VVGPHUYPICMHCD-PXLXIMEGSA-N 433.623 6.548 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)C(=O)NC2=S)c1 409244272 AMBBDNLDCUGUAL-KGENOOAVSA-N 444.556 5.075 10 40 IKCB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409340364 VUNXWNNDDYPFBX-XACIZNRCSA-N 438.401 6.577 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 409343251 DEQQOSNHMNYWFM-GNUZOCDUSA-N 429.563 5.287 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1 2193043 KZBYUVRNTRPQEU-LHLOQNFPSA-N 429.519 6.834 10 40 IKCB CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 9444590 VOFREFLKTWCHCS-HMMYKYKNSA-N 440.590 5.014 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1C 26676012 WCKVXTCUHYLXBT-WQRHYEAKSA-N 433.982 5.457 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 222697852 WCLYWWIYNIMQKJ-SXSPYAJSSA-N 437.012 6.122 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)cc2)C1 260578948 XTCFMSIMYVCQJA-XPWALMASSA-N 433.640 5.646 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2F)N1c1cccc(Br)c1 408753500 JFOFFBQCCAQHBR-LDADJPATSA-N 427.298 5.484 10 40 IKCB O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1C1CCCCC1 409352785 ZHGDIFNPXKMWOK-XLNRJJMWSA-N 439.602 5.678 10 40 IKCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(C)c1 9444632 WVTGUENBQUAVEO-CPNJWEJPSA-N 445.009 5.577 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc4c(c3)OCO4)C2=O)cc1 38194841 ZKNYYOPCEOFAKC-CPNJWEJPSA-N 445.902 5.939 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 102585528 AJDDANDQSWYCMI-BUVRLJJBSA-N 425.919 6.149 10 40 IKCB Cc1cc(CN(C(=O)c2ccc3nc(Cl)n(C)c3c2)C(C)C)c(C)n1-c1ccccc1 222556357 NQRUDVRPNKSSPZ-UHFFFAOYSA-N 434.971 5.685 10 40 IKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C 223586560 ZYYZJOKDDXTJHD-RIWZNOJBSA-N 435.543 5.339 10 40 IKCB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc(Cl)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736540 XPXRKNVXESJVQI-SLSDLSHTSA-N 432.907 6.654 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408896720 ZHOLCMQTWWAYCW-AQTBWJFISA-N 446.330 5.659 10 40 IKCB Cc1ccc(C2=C/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C(=O)O2)c(C)c1 409051256 BDOOFAMWRCBNIE-JJIBRWJFSA-N 432.519 7.017 10 40 IKCB COc1ccc(OC)c([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1 6136515 HZYMXLLRPKVOHI-AVYPCKFXSA-N 433.289 5.135 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2)cc1 8894176 CXVDURQLFXONMS-HKOYGPOVSA-N 440.543 5.881 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1 9293565 PPDAFRCULJYOMG-HHKDCCKLSA-N 432.936 5.510 10 40 IKCB Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(-c5ccc(F)cc5)o4)C(=O)N=C3S2)cc1 9659538 KNBSTZDEZJOHAA-LSZLNTRYSA-N 430.464 5.062 10 40 IKCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C 14010094 LPWOXHVPFRSEFH-MOSHPQCFSA-N 440.971 5.466 10 40 IKCB COc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2CC(C)C)c(OC)c1 22118005 SAVWKWDVCDDRMA-UHFFFAOYSA-N 443.544 5.093 10 40 IKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 40005923 XDEDFNAQSCWMIF-UNOMPAQXSA-N 433.982 5.539 10 40 IKCB COC(=O)c1ccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)cc1 59401498 SHCOQESMARPUJA-UZEJHQAJSA-N 435.479 5.075 10 40 IKCB C[C@H](NC(=O)c1ccccc1I)c1ccc(N2CCC[C@@H](C)C2)cc1 218217162 RBSSAUXJOJLJQJ-CVEARBPZSA-N 448.348 5.019 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 408736137 HOLXMTODBXJDBF-FTLABTOESA-N 425.153 6.591 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)O)c3C)C2=O)cc1 408763152 RLTZGSWLOARJPB-RGEXLXHISA-N 445.902 5.827 10 40 IKCB CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O 409338289 HIUVEAATYGZSQN-PDGQHHTCSA-N 448.407 5.952 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)SC2=S)cc1 2916284 FFIQXMCJQFNVID-UNOMPAQXSA-N 437.498 5.059 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 23402460 PWUATGILBMQLQY-HMAPJEAMSA-N 434.586 5.817 10 40 IKCB O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 6444760 JMZLFTVBMPZFSD-YXYSEUPNSA-N 445.946 5.533 10 40 IKCB CC(C)c1ccc(S(=O)(=O)Nc2cc(SCCC(=O)O)c(O)c3ccccc23)cc1 8870776 YBKBVLMPQAVQBO-UHFFFAOYSA-N 445.562 5.036 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 9296553 LLDIULJHJJGCOM-HZHRSRAPSA-N 447.581 5.988 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1Cc1ccccc1 15012167 LCXHQOWSMXMULZ-HYARGMPZSA-N 435.545 5.806 10 40 IKCB O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1 33441681 OCBZXTUTFCAPMJ-WQRHYEAKSA-N 441.917 5.704 10 40 IKCB c1nc(/N=N\c2ncn(C34CC5CC(CC(C5)C3)C4)n2)nn1C12CC3CC(CC(C3)C1)C2 95116246 HYRDSCVSTWCKJS-DQSJHHFOSA-N 432.576 5.136 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222970166 OJUSNJYRXMVZTA-AHWVRZQESA-N 446.664 6.187 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1 223855263 LMKPJWBWRDINOD-LOSJGSFVSA-N 440.572 5.372 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2Cl)cc1 408753005 KOSDPWMHCSIKOV-KOEQRZSOSA-N 438.914 6.336 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)O 408903241 WFIMGXGWJITHJX-DEDYPNTBSA-N 434.542 5.198 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409139322 AFGGIZNSZZTQNN-CIAFOILYSA-N 439.537 5.619 10 40 IKCB O=C1/C(=C\c2ccccc2SC2CCCCC2)SC(=S)N1Cc1ccccc1 8733338 PPDRNXFUFYJFLV-RCCKNPSSSA-N 425.644 6.513 10 40 IKCB Cc1cc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)o2)c(C)n1-c1ccc(Cl)cc1 9464635 XVAPXVVKJWRRHJ-HNNXBMFYSA-N 438.940 5.556 10 40 IKCB Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C 13108891 CDWYCWUWGVGNDJ-PAMLCIOASA-N 438.556 5.707 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CC1 44854028 OJKBFKQKWGSODR-OAQYLSRUSA-N 437.603 5.151 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(O)cc1 223098658 DUJQZZHGHMYLLC-RPBOFIJWSA-N 446.620 5.500 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc21 223488413 FUPZGSRVJVXSSK-KGENOOAVSA-N 443.547 5.072 10 40 IKCB CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260735064 FGPGLRDNCDQSGP-INIZCTEOSA-N 446.016 5.240 10 40 IKCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1C 408754953 AUQYVOGLZSLRDN-QQXSKIMKSA-N 434.543 6.065 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Cl)cc2)cc1 408758863 SRTCWCQYGVYWAT-FYJGNVAPSA-N 446.890 5.302 10 40 IKCB COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc4ncccc4c3)c3ccccc3)C2)cc1 2037844313 SWKRKWVUWHPPIH-BIYCFNCWSA-N 439.559 5.284 10 40 IKCB CCOc1ccc(N2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1 2112753 BDDKAJPDNHOOTB-UHFFFAOYSA-N 429.472 5.224 10 40 IKCB biogenic CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S 2678247 YUKFETMJCPIDAN-PGMHBOJBSA-N 439.602 5.996 10 40 IKCB CC(C)=C(O)N1SC(=C2C(=S)C(C)(C)Nc3ccc(C)cc32)SN1C(O)=C(C)C 4062559 DGSAHSSFYSCFMK-UHFFFAOYSA-N 449.667 6.685 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1 8821766 RMJIVJDETCXAPT-HAHDFKILSA-N 448.975 6.564 10 40 IKCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1cccc(C)c1C 8916009 UBCRPLDWWZQQPF-KGENOOAVSA-N 443.590 5.039 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 9296540 DOZBGCDJIPROAT-KGENOOAVSA-N 448.525 5.580 10 40 IKCB CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 12032421 CCISENYTWXVRNE-CCAAZVFCSA-N 442.650 5.405 10 40 IKCB O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1C1CCCCC1 16487644 UAOZOIQHISAKDT-PXLXIMEGSA-N 427.504 5.324 10 40 IKCB C/C(NCCc1cccs1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 19641628 IFXSXAPQMVOYHM-PGMHBOJBSA-N 444.585 5.215 10 40 IKCB CCOc1cc(/C=C2/SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)ccc1O 27229154 OMQQQKGMCLCRJR-LZYBPNLTSA-N 442.846 5.546 10 40 IKCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 144216741 QRNJECOSOXBOIG-HMAPJEAMSA-N 431.517 5.293 10 40 IKCB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc(C)c1Cl 218713364 OIYLJGYKYMYUBH-VQTJNVASSA-N 429.004 5.838 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 222699096 JXKDGJOTPSZTDE-PUZWTLIVSA-N 432.593 5.477 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3CCc3ccccc3)cc2)C1 260578026 SZBCCSDCYSXXHX-XZOQPEGZSA-N 426.604 6.199 10 40 IKCB COC(=O)c1cccc(Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)c1 408545066 YWUVXTPDLQTFIA-PCLIKHOPSA-N 449.510 5.282 10 40 IKCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 408763366 NFWJEJIPRVLZNV-KGENOOAVSA-N 434.854 5.100 10 40 IKCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408981055 YNZGEGRAAGPKON-GZTJUZNOSA-N 432.785 5.080 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 409053320 BVXNVASJSKMSCU-IWIPYMOSSA-N 445.609 6.284 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 409350249 XEKQCJKMXNAVPB-MOSHPQCFSA-N 425.962 6.298 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(F)c1 8819670 WHFJRPSLGOHYPL-RGEXLXHISA-N 428.554 5.226 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 9030390 IOWDHUHXQVGXSR-ODLFYWEKSA-N 433.982 5.537 10 40 IKCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1 10232901 VYCPNTRVJQUEOI-WOJGMQOQSA-N 425.462 5.190 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1 222829584 KPVLCQJOJVBJDR-FCHUYYIVSA-N 425.001 5.523 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Br)c1 408761106 HVYOUPRDVOZLDT-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OC 409076505 BBAIFKVTQADSEM-ZHZULCJRSA-N 432.907 5.582 10 40 IKCB O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1cccc(Br)c1 409207394 WBWPYPFILKARNY-NTUHNPAUSA-N 445.190 6.162 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)O 409214644 YZWLCIPTAHWQFP-BKUYFWCQSA-N 432.501 5.029 10 40 IKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC1=S 409348560 OQXOPBNFXKVTLC-PDGQHHTCSA-N 448.407 5.639 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(C)C 409352944 ZQMDBEHKDIORGR-BKUYFWCQSA-N 442.606 5.202 10 40 IKCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc(I)cc1C 13590190 FCIHHLBYJDNMAM-WJDWOHSUSA-N 433.318 5.119 10 40 IKCB CCOc1ccc(/C=C2\SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1 13943256 FULHIMNNQRTLPO-MOHJPFBDSA-N 443.572 5.031 10 40 IKCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 31982970 YQNYDUDQTJQEHW-FWPSJRISSA-N 426.929 5.655 10 40 IKCB CCn1c(-c2ccccc2)cnc1SCc1csc(CC(=O)Nc2ccc(C)cc2)n1 32724359 RCVGLAMKZMSVOA-UHFFFAOYSA-N 448.617 5.808 10 40 IKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 100326577 JQFHVIXDOTUIRX-JJIBRWJFSA-N 440.499 5.550 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(NC(=O)c2ccccc2)sc2c1CCCC2 103447168 SHFHRVVPJXQWDK-LTGZKZEYSA-N 441.556 5.685 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 225670434 SEXKHRIJQHLVIZ-IEBWSBKVSA-N 439.625 5.456 10 40 IKCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 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PHQCALLDMPAGEN-FCHUYYIVSA-N 425.001 5.523 10 40 IKCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222922278 GFLQYFPKNIFGFL-ZEQRLZLVSA-N 434.609 5.126 10 40 IKCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408740993 GFPZXXWDAYKUER-CIAFOILYSA-N 443.455 5.472 10 40 IKCB Cc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1 408901648 GZLSXXYIIUODRQ-LFVJCYFKSA-N 440.593 6.404 10 40 IKCB CC(C)n1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 409109203 ZMESPYGJCNUBGL-XNTDXEJSSA-N 442.302 5.195 10 40 IKCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S 2843943 BXRVDNFCVYDQFE-RGEXLXHISA-N 433.982 5.409 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 6307867 PEOICYYMCFPTQK-QJOMJCCJSA-N 425.528 6.015 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 9232727 OGTOKMMHLBCKSR-UDWIEESQSA-N 430.932 5.624 10 40 IKCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 12465971 LJJFWRJTXCWPQO-UNOMPAQXSA-N 440.377 5.470 10 40 IKCB O=C(OCCOc1ccc(Cl)cc1Cl)c1cccc2c1C(=O)c1ccccc1C2=O 16045117 WGGSZXAFKVDDNR-UHFFFAOYSA-N 441.266 5.005 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1 31842146 OFQGNNJCTLCIDP-HRXHUYTNSA-N 443.553 6.043 10 40 IKCB Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 32694317 UOZJDNFHHAQJPJ-XMHGGMMESA-N 444.647 5.765 10 40 IKCB COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 58851362 MUDMZZZWAQDKBZ-UFYHVXEKSA-N 440.754 6.499 10 40 IKCB COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 408736638 YKIDYZKUYGNQJO-SLSDLSHTSA-N 445.946 6.532 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408757013 VRKPFTBGXCDACQ-XQNSMLJCSA-N 431.923 5.249 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C(O)=NC1=S 1251163 DMECKYNXOWGIBZ-DEDYPNTBSA-N 433.508 5.213 10 40 IKCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 3768153 ZDYUKGBNCCWNRL-ZSOIEALJSA-N 444.297 5.874 10 40 IKCB CCCCN1C(=O)/C(=C(\C=C2/Sc3ccc(OC)cc3N2CC)CC)SC1=S 4048101 DKZRHCIPNPEFTO-ZUQSFNSISA-N 434.652 5.793 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 9805425 HEDIGHVQWUPJHG-WQRHYEAKSA-N 432.353 6.659 10 40 IKCB C[C@@H](NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103093766 ZUDWFZUHOPRPLS-RCSPWMMGSA-N 448.567 5.266 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1Cl 222743546 YEUTZILAQZPLOZ-VQTJNVASSA-N 431.392 5.398 10 40 IKCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223057928 GAUPMXMJDAVCKZ-LOSJGSFVSA-N 448.636 5.115 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C 223343272 PMYIYZBHALOIHH-DQEYMECFSA-N 442.588 5.563 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1F 224164992 SJZHGTWELDGQCC-RPBOFIJWSA-N 442.563 5.805 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2Cc2ccc(C(=O)O)cc2)cc1 408780014 PYLOWWJMGYDWPJ-HYARGMPZSA-N 440.455 5.068 10 40 IKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 408828483 MZBBCYWJLFRUEM-MTJIALIYSA-N 428.282 5.011 10 40 IKCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)c(Cl)c1 1264737 YLSCVKPZFYGFOZ-XNTDXEJSSA-N 441.361 5.207 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)N1CCCCC1)c(O)c1ccccc12 2667758 UVEGBIZWFAODTK-RUZDIDTESA-N 443.543 6.352 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)S1 8821884 YSLOHKCYJYKNBK-FYJGNVAPSA-N 433.489 5.808 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1 13371275 KXJVHPNFDIIWLU-HMAPJEAMSA-N 432.907 5.734 10 40 IKCB O=C1/C(=C/C2=Cc3ccccc3O[C@H]2c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 16779302 AEGRPEZBLVBOQF-TYACBBDOSA-N 435.570 5.127 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 80348114 PLXBEHOHXDUDBO-CPWDNUMFSA-N 425.945 5.085 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(O)cc1 214180203 JFLGLUFUOTWDKT-CIAFOILYSA-N 438.936 5.690 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccn1 223087046 PSOWXIVHAQFIHS-ZEQRLZLVSA-N 431.609 5.189 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(F)cc1 408740698 DJENUYGCVGCYTC-HYARGMPZSA-N 430.475 6.093 10 40 IKCB COc1cccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)c1 408841838 HWRLTKZAEDBEDK-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)cc1 409070507 YRSASBKZVNGMRI-AQRZYSDFSA-N 440.565 5.035 10 40 IKCB COc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@H]3C=CC[C@@H]32)cc(Br)c1OC 409150745 DJYHRQDVYMGMAQ-AVYPCKFXSA-N 444.325 5.299 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 409349109 UNPBLOGUNURAGC-JLPGSUDCSA-N 441.577 6.798 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1Cl 222743613 YEUTZILAQZPLOZ-PMACEKPBSA-N 431.392 5.398 10 40 IKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1-c1ccccc1 224416589 DQIHYZQUKVTYBX-BJKOFHAPSA-N 428.536 5.497 10 40 IKCB COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccco4)C3=O)o2)cc1 408986278 PJZIUNUBRQJKEL-LTGZKZEYSA-N 437.451 5.798 10 40 IKCB CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)SC1=S 409043798 ZRIXUXOQDUZFOF-GRSHGNNSSA-N 435.973 5.915 10 40 IKCB O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1cc(Cl)ccc1Cl)c1ccccn21 810832 SLQNZGFUYUTUDL-UHFFFAOYSA-N 435.266 5.274 10 40 IKCB Cc1cc(C(=O)[C@H](C)Sc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc(Cl)cc1 3504329 HOSDWFCDUGYHDM-LBPRGKRZSA-N 442.894 5.258 10 40 IKCB CCN(CC)Cc1cc(C)c(O)c(/N=N/c2ccc3c4c(cccc24)-c2ccccc2-3)c1C 5573690 DNGJPICSACXGJQ-NVQSTNCTSA-N 435.571 8.067 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1cccc(Cl)c1 8872094 BWJCGMLRNXTTJU-WOJGMQOQSA-N 432.353 6.659 10 40 IKCB Oc1cc2c(cc1CN1CCN(c3cccc(C(F)(F)F)c3)CC1)oc1ccccc12 13098209 KUDCFAFNQIGIAB-UHFFFAOYSA-N 426.438 5.633 10 40 IKCB C/C(NCCc1ccc(Cl)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17098665 SGJOSARJKOAMGE-QJOMJCCJSA-N 433.914 5.336 10 40 IKCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1 27229392 NJQCZHQOPFOANQ-OMCISZLKSA-N 426.346 5.416 10 40 IKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=S)N=C1O 35400649 RTJAIDIQSXTJFJ-GZTJUZNOSA-N 443.931 5.059 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)S2)c(C)c1 35645145 NQIZKYKTMCHTCX-OEAKJJBVSA-N 448.975 6.618 10 40 IKCB Cc1nn2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)c(-c3ccccc3)nc2s1 41074268 BCYGOSXAJQBLBV-ATVHPVEESA-N 434.571 5.172 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4c(C)cc(C)cc4C)C3=O)n2)cc1 100524965 CJSAZQSUFMDDMC-JMSHBIQUSA-N 433.537 5.619 10 40 IKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1ccccc1 223878668 WJLXYELDRCLEDC-DNQXCXABSA-N 426.545 5.063 10 40 IKCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 408736258 OEYXBHFURHLQQP-SLSDLSHTSA-N 442.471 5.699 10 40 IKCB Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2cccc(C)c2)cc1 408842666 PLOFJCRQKDRPSG-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C 408902940 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COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1Cl 33430113 WTSATBLSPDVROA-UYRXBGFRSA-N 449.981 5.028 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222835353 GMRQUPKNLQDCHM-DHIUTWEWSA-N 439.028 5.832 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222924573 XIQROCKVNOGWQP-DQEYMECFSA-N 432.637 5.734 10 40 IKCB Oc1ccc(Cl)cc1C1=NN2[C@H](c3ccco3)Oc3ccc(Br)cc3[C@H]2C1 247903616 LDXBECMGKIJQKC-UZLBHIALSA-N 445.700 5.643 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(F)cc2)cc1 408763406 NYVDAEAUGBQSOJ-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC[C@@H]2CC)c1O 2201171 VCRHLVZKHTUHEI-KRWDZBQOSA-N 448.588 6.102 10 40 IKCB biogenic COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F 14413801 ZRZUDGMEVUIWJY-ZROIWOOFSA-N 439.792 5.375 10 40 IKCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2)cc1 19646650 NJOULQGQTPQTLL-KQWNVCNZSA-N 447.922 5.494 10 40 IKCB CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)c1 32099376 IGSYVZRKNZDINS-BKUYFWCQSA-N 438.405 5.974 10 40 IKCB N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 32109450 AXHTXLUIYSWMJV-OLOAGALHSA-N 449.492 5.054 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 35646160 SITADWMOMPSJOV-ODLFYWEKSA-N 429.328 6.644 10 40 IKCB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225016856 FBGQTGUQRHJQBS-JWQCQUIFSA-N 446.620 5.413 10 40 IKCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(Cl)ccc1Cl 408903775 YVZPZWNVRWNMSF-JMIUGGIZSA-N 440.355 5.171 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])c1 408972804 VSQRBSHMJZJMIA-ATVHPVEESA-N 441.365 5.512 10 40 IKCB Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc34)c2)cc1C 1134393 XTLUDINLEUZFDI-UHFFFAOYSA-N 433.529 5.644 10 40 IKCB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)CC2)cc1 44853990 VCKBACDXKDZVMK-HSZRJFAPSA-N 433.640 5.321 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12 112291476 OWWAUINMIKYHFK-KQWNVCNZSA-N 443.576 5.387 10 40 IKCB CCN1c2cc(C)c(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[C@H](C)CC1(C)C 208323842 HQXCQLPVHUHHKQ-MBTVCVBTSA-N 444.597 5.095 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(F)cc1 224165464 PUOFMNFAXHAGBZ-RPBOFIJWSA-N 442.563 5.805 10 40 IKCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260616383 JXUDNXRHARNZMH-KDLAUNOPSA-N 429.004 5.920 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408902936 SLGKDBNKZHWLGQ-USHMODERSA-N 431.539 6.567 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 409019574 UOCJYQJPAYIWFY-UNOMPAQXSA-N 425.912 5.349 10 40 IKCB CN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c2ccccc21 409197763 OIVMDMUXNGMARC-XQNSMLJCSA-N 428.919 5.891 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(F)F 409347108 LZLZUIJYOCURHF-WOJGMQOQSA-N 435.517 5.709 10 40 IKCB O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1ccc(Cl)cc1Cl 409376963 CWGRXQNBXQLHJZ-FRKPEAEDSA-N 434.325 5.506 10 40 IKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8819072 HAJWDEVEVIJIKA-VCHYOVAHSA-N 449.746 6.989 10 40 IKCB COc1ccccc1/C=C1\N=C(c2ccccc2)N(c2nc3cc(Cl)ccc3s2)C1=O 8894549 UBNQYAHOSVUOCB-UYRXBGFRSA-N 445.931 5.793 10 40 IKCB O=C1/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 27061400 AEGRPEZBLVBOQF-LPMANIQASA-N 435.570 5.127 10 40 IKCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1C 33628886 ZGUONYVJLQXCMX-GZTJUZNOSA-N 427.287 5.332 10 40 IKCB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 223031234 MRZKFMSAGUXAQE-YADARESESA-N 429.004 5.920 10 40 IKCB C[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCCC2)cc1 225694976 PRIGKRLXFZULOY-FQEVSTJZSA-N 447.673 6.627 10 40 IKCB CSc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 408767168 JMXZANHNSHSSFD-HMMYKYKNSA-N 428.513 6.096 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccccc2F)C(C(F)(F)F)=NN1c1ccccc1 408970132 BHCKLDFDOBWVDL-RGEXLXHISA-N 440.396 5.753 10 40 IKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 408985008 KFDOHQIWESDRRV-QGOAFFKASA-N 436.736 6.574 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 409053691 HBDWSXIPIBZVEK-XYGWBWBKSA-N 446.591 5.716 10 40 IKCB Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc3c2O)cc1 944519 MTKASAHPYCJSHN-UHFFFAOYSA-N 439.533 5.945 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1ccccc1F 3398057 MZHRAPXZQPWYLC-CQSZACIVSA-N 425.525 5.459 10 40 IKCB CCN(CC)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12560573 HYUGIVWIBGLFOW-AOYPEHQESA-N 431.967 6.429 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 13838354 VWXSRBJMGWTPIA-BOPFTXTBSA-N 441.270 5.758 10 40 IKCB Cc1cccnc1-n1c(C)cc(CN(CCCn2ccnc2)Cc2cccc(F)c2)c1C 19237887 RLFVUZRYLKTQIL-UHFFFAOYSA-N 431.559 5.226 10 40 IKCB CCc1ccc(-c2cc(-c3ccccc3)c3c(n2)/C(=C\c2ccc(N(C)C)cc2)CCC3)cc1 34864910 JZTSNISSRGAEJC-MEFGMAGPSA-N 444.622 7.921 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c([N+](=O)[O-])cc(C)c(C)c2[C@@H]2C=CC[C@@H]21 58928984 IILZURCHKMRPLY-QEEYODRMSA-N 429.314 5.809 10 40 IKCB Cc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1 59484911 QJPVHGPGRSKKKK-UHFFFAOYSA-N 426.541 5.360 10 40 IKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2ccc(Cl)cc2)cc1 112293822 CIOGSPPISCRFHQ-QJOMJCCJSA-N 431.923 5.163 10 40 IKCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 408757540 ZNEYLZHGNNENTQ-HYARGMPZSA-N 432.907 5.500 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 8821606 INERLSAFBQRZFF-JZJYNLBNSA-N 433.639 6.046 10 40 IKCB COc1ccc(-c2csc(/C=C/c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC 14360330 USLMPFGWEQAHCB-UXBLZVDNSA-N 437.521 5.506 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccccc1 58822045 FEJBVOULPBFZCZ-KGENOOAVSA-N 437.973 6.325 10 40 IKCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1 223104972 VKMBHDFUDVGLEW-DQEYMECFSA-N 445.636 5.498 10 40 IKCB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl 225664965 BTEAKRNAKQFLKX-HNNXBMFYSA-N 431.989 5.165 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3cccs3)N=C2c2sc3ccccc3c2Cl)c1 408765551 YOSYUJJVHMBVNZ-QGOAFFKASA-N 434.973 6.759 10 40 IKCB O=C1NC(=S)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408883647 VUQMTIUITYTAIR-NVNXTCNLSA-N 440.771 5.170 10 40 IKCB O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1Cc1ccccc1 409211091 KRCWFGMXJUKOKX-XDHOZWIPSA-N 449.513 5.184 10 40 IKCB CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc23)C1 5317889 LWTOUQIZYBPKCQ-XGCWNURASA-N 443.547 5.443 10 40 IKCB Cc1cc(I)cc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 8435035 TWHFOXCYUSMAFM-BXWFABGCSA-N 432.261 5.334 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1 13811241 IQVCENWHNRASMZ-JFBLTNLISA-N 431.348 5.568 10 40 IKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 14469614 SFFNQWUEKZMMFJ-DXBVXKBHSA-N 425.528 6.269 10 40 IKCB Fc1ccc(CSc2ncc(-c3ccc(Cl)c(Cl)c3)n2Cc2ccccc2)cc1 44086382 UTBSGGJMSSMIRS-UHFFFAOYSA-N 443.374 7.337 10 40 IKCB O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 102989044 NUXIULFPJVAFPI-VAKZPMALSA-N 447.376 5.854 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccccc4C)=NC3=O)cc21 208472680 KKKZRIFZAKGSFX-NHDPSOOVSA-N 437.996 6.363 10 40 IKCB Cc1cccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 214621122 NWVOQTZIPSBVQJ-LPYMAVHISA-N 436.964 6.292 10 40 IKCB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1 408641094 JQJQASUWGCQJJL-OAQYLSRUSA-N 436.511 5.932 10 40 IKCB CCCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc21 13512784 WCTMNMTVSJCTDK-KGENOOAVSA-N 431.561 5.006 10 40 IKCB O=C1N=C(O)/C(=C\c2cccs2)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59860454 OBOYRVOAEHQQDY-SRZZPIQSSA-N 432.545 5.723 10 40 IKCB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 222937955 NVMZVYUVPLPGQB-YZIHRLCOSA-N 436.640 6.255 10 40 IKCB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 224586537 RSHYSMRJGGIOFW-RPBOFIJWSA-N 440.572 5.366 10 40 IKCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1 408753718 HJXOMLCAPLQVRK-LDADJPATSA-N 427.685 5.530 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(/N=N/c4ccccc4)ccc3O)C2=O)cc1C 408856937 LSGAQJAZAOVMSL-JCVVDVMVSA-N 440.459 5.091 10 40 IKCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O 409346387 KDKYLTHMFJXWSC-YBEGLDIGSA-N 438.343 5.393 10 40 IKCB Cc1oc2ccc(O)c(CN(C)Cc3ccccc3)c2c1C(=O)Nc1cccc(Cl)c1C 8612206 FBSPXSVZUCRMJH-UHFFFAOYSA-N 448.950 6.293 10 40 IKCB aggregator C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)C1 44854964 YPSJRFBGBPZYTA-NHCUHLMSSA-N 437.603 5.151 10 40 IKCB Cc1ccc(-c2csc(Nc3ccccc3)[n+]2CCNc2ccccc2[N+](=O)[O-])cc1 65090451 OPURHTXMGMXARC-UHFFFAOYSA-O 431.541 5.775 10 40 IKCB O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N\c3c(O)ccc4ccccc34)cc2)cc1 100589766 LEYJJTBJCFGAQN-RUFRKCMOSA-N 432.461 6.623 10 40 IKCB O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N\c3ccc(O)c4ccccc34)cc2)cc1 104389427 PSQAMBOKSPAGRZ-RUFRKCMOSA-N 432.461 6.623 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 222790789 HQTFDNBTNLIRLU-VXKWHMMOSA-N 425.001 5.443 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(F)c1 225015172 VVTYFBBXHOEWSI-BJKOFHAPSA-N 434.584 5.543 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)nc1 225021226 LPKZYNGEFPSGPW-ZEQRLZLVSA-N 431.609 5.108 10 40 IKCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 408846700 YOWDQOPABKMPDY-CPNJWEJPSA-N 438.270 5.736 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 409056488 MKXIKFDTKOWERC-NDENLUEZSA-N 436.514 5.565 10 40 IKCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl 409238043 BTAFQURXJFPWBO-WOJGMQOQSA-N 442.968 5.082 10 40 IKCB CCOc1c(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cccc1OC 409330131 JGQLSOUTRZZPIA-YBEGLDIGSA-N 439.480 5.519 10 40 IKCB Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 13616589 IKGQRFWXNVPSIE-OXQOHEQNSA-N 427.323 5.459 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C(=O)O2)cc1 34696546 QGCUXSKSFFLDIO-FYJGNVAPSA-N 447.328 6.318 10 40 IKCB O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 59961088 BPXCYBXBCWIVKM-YZUZCNPQSA-N 436.964 5.967 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc2ccccc12 100313407 QEBKDCZSXXIRCS-YZSQISJMSA-N 448.522 6.234 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)S2)cc1 208196797 WRFHLBJREPARFQ-VOMLJKFNSA-N 435.593 5.890 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1OCC 408787489 AVKHSXBLQORAKV-ZSYKKXJESA-N 449.547 5.308 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21 409166464 DVXRIKIOZGPRHO-FHSNZYRGSA-N 435.159 6.047 10 40 IKCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409352008 VNLSXNRGPTYIPG-NCUBORBFSA-N 437.508 6.289 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(OC)c1 1245632 BPCCDNUVSRPMCL-BNCCVWRVSA-N 426.346 5.416 10 40 IKCB C[C@H]1CCC[C@@H](C)N1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(N)oc12 2199949 WNYYRVZLSZMJQM-OKILXGFUSA-N 435.549 5.120 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 8821396 YUSGNLQACFFBJF-UNOMPAQXSA-N 448.009 5.927 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 13799604 UIIVXJLNYZUOJD-ZHZULCJRSA-N 438.618 5.540 10 40 IKCB COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)cc1 14479764 MHAMSIZJENQIOU-PPJWLVRDSA-N 446.572 5.631 10 40 IKCB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 15947822 SMQKGHAPEDXRRK-MCMMXHMISA-N 438.980 6.252 10 40 IKCB N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 18176156 CXYDZIQVASZCSH-WEHZRUJJSA-N 442.456 5.159 10 40 IKCB CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2oc(Cl)nc2c1 225986044 YRFUTZDSRWPIDX-UHFFFAOYSA-N 435.955 6.331 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21 260918033 KTCVTZFCZUEMGM-RPBOFIJWSA-N 440.616 5.890 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(C)c3C)C(=O)N(c3ccccc3)C2=S)cc1C 408772126 BIRYTZSBNHJDIO-HAHDFKILSA-N 443.572 5.007 10 40 IKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Br)cc2)N1c1ccccc1 408841567 JVFLCLAYICYEDU-XSFVSMFZSA-N 448.276 5.192 10 40 IKCB CCCCN(CCCC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 1747758 OVVQTRSDSVWPLS-UHFFFAOYSA-N 447.497 6.587 10 40 IKCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc2ccccc12 8765637 VJOVALZFMYLQGJ-ZHZULCJRSA-N 436.533 5.209 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Cl)c(Cl)c1 9311242 HZMANHYJEACDSI-SFQUDFHCSA-N 426.730 7.118 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)cc1 12515128 ROLADOHOUVAESJ-NEAWXCLQSA-N 438.556 5.707 10 40 IKCB COc1ccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4C)cc3C)no2)cc1 20896735 MNAGYQXIKQWHPD-BYYHNAKLSA-N 426.476 6.635 10 40 IKCB COc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@@H]1CC=C[C@H]21 35392007 RGAIBFLEFABAIK-ZEVJAHDQSA-N 431.963 7.063 10 40 IKCB Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1 58847059 YEKFWRMEPQGERM-SGIRGMQISA-N 434.536 5.761 10 40 IKCB Cc1cc(/N=N/c2c(O)nc3ccccc3c2O)ccc1/N=N\c1ccc(C(=O)O)cc1 104389035 RYASJVSJGCGYQA-ZQZMJUSDSA-N 427.420 6.483 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 409235530 CAGFJVVZQMWOHG-FYJGNVAPSA-N 448.931 5.466 10 40 IKCB Cc1ccc(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1 3316158 OQGYGAIRVGFEAE-UHFFFAOYSA-N 427.447 5.352 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 9934511 YOQVIGAWGNCCGD-XDJHFCHBSA-N 432.317 5.929 10 40 IKCB CC[C@@H](C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 9971780 VFQGMSDMQUARJT-CRRKTRLDSA-N 425.604 5.601 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 13798726 XFWAHYZWPLXVJP-AQTBWJFISA-N 430.982 5.269 10 40 IKCB CCOc1cc(Br)c(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1O 13914615 INMVOCPSSUDHJW-NVNXTCNLSA-N 435.705 5.013 10 40 IKCB Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)ccc1Br 32115735 FITOTEDHWXKCNF-ZDLGFXPLSA-N 433.371 5.610 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 38198049 OGTOKMMHLBCKSR-NDENLUEZSA-N 430.932 5.624 10 40 IKCB N=C1/C(=C/c2ccc(Br)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 41084893 XHTPASXKFLXSNL-DXGGMCDASA-N 445.386 5.429 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1cccc(F)c1 59418257 ZTXIZDOMVMLSPJ-CIAFOILYSA-N 439.508 5.950 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCCCOc1ccccc1 100270841 XLUMMXOKYAPUDX-HKOYGPOVSA-N 446.934 5.994 10 40 IKCB CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 100555847 ATJQBJZBLFLCNC-OEAKJJBVSA-N 447.332 5.834 10 40 IKCB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)c(O)c4)C3=C(O)C2)cc1OC 102719744 RKIUPKCDMPZRHJ-NPMXOYFQSA-N 448.475 5.019 10 40 IKCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 223780303 HZBCVSHQKMBVBU-DQEYMECFSA-N 440.572 5.366 10 40 IKCB Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(F)cc2)c1 408760817 GGIPSPILAPVISZ-CIAFOILYSA-N 425.290 6.275 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)c(C)c1 409212744 QLYJXSVFUFDGPZ-CXUHLZMHSA-N 449.351 5.380 10 40 IKCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCc3ccccc32)cc1 3329155 LOTLBVZNQPPZPU-OBGWFSINSA-N 435.527 5.541 10 40 IKCB CC(C)(C)c1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(C(C)(C)C)c1O 9188337 FYMLIGKJKIKJGW-PWDRBQJJSA-N 433.639 5.367 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1OC 9344897 QUVPOVSUUHLBCQ-IDUWFGFVSA-N 440.373 5.807 10 40 IKCB COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 13634618 KLLKBTDTOANIRJ-HWBMXIPRSA-N 432.545 5.323 10 40 IKCB Cc1oc2c(CN(C)Cc3ccc(N(C)C)cc3)c(O)ccc2c(=O)c1-c1ccccc1 32869424 RMIKHNJIHDABPZ-UHFFFAOYSA-N 428.532 5.172 10 40 IKCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 59135314 WAUHVZGCWYYGKY-KGENOOAVSA-N 431.467 5.302 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3c(Cl)ccc([N+](=O)[O-])c3Cl)SC2=S)cc1 113830467 YOBHCAAMWFCMNR-RIYZIHGNSA-N 441.317 5.316 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1C 205728148 CWSFRGBFEUDACW-VXLYETTFSA-N 446.956 5.044 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Cl)c3C)N21 222697190 GBSFSEJTVGCJNS-MQNAVGNWSA-N 437.012 6.122 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 222967991 AVSQYBMEYWGOKI-JWQCQUIFSA-N 447.652 5.328 10 40 IKCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O 223557934 LSDMZDVXUASUMS-BXRKRMDBSA-N 444.597 5.175 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 409054171 RUKSTZKRWXZJLY-HAHDFKILSA-N 431.582 5.975 10 40 IKCB O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409328612 YSQUJPKPIKBHLD-SFQUDFHCSA-N 440.527 5.745 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OC(C)C 409331575 ONJIWEKCVBCOEQ-KGENOOAVSA-N 442.606 5.344 10 40 IKCB COc1ccc(Cl)cc1NC(=O)c1c(NCc2sccc2C)sc2c1CCC2 2072951 VWBQVNGHGYSWPR-UHFFFAOYSA-N 432.998 6.133 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)cc1 6078525 UMFULOAVBIXXHU-FRKPEAEDSA-N 445.950 6.646 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc1 6630090 QVRQGTGONVCXMC-UHFFFAOYSA-N 427.548 6.717 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)SC1=S 9233049 WZIKDSWXZVJEME-HYARGMPZSA-N 435.545 6.119 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CNc1ccccc1Br 13881967 CUJBRVKKDKBWRU-OQLLNIDSSA-N 439.787 5.373 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 222701356 HKTCNSPIYPBMAI-DCEDVJGZSA-N 430.621 6.085 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 260572586 WYWGMYIYWBBSJT-VLZFXTDASA-N 434.605 6.262 10 40 IKCB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(C)C 408695579 RNPLDNBCNLZQCC-UHFFFAOYSA-N 443.952 5.504 10 40 IKCB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c(ccc5ccccc45)[C@@H]4C=CC[C@@H]43)cc2)cc1 408736134 HGUQKTORSOBARQ-PBWSGDRGSA-N 448.522 7.154 10 40 IKCB Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(Br)c2)cc1 408752802 CJLJNYDUASUVPR-FYJGNVAPSA-N 435.296 5.731 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1 408767009 YHTRWLJIHVGITM-FYJGNVAPSA-N 446.890 5.302 10 40 IKCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 408964699 ZBAGXBFPKZMHOC-PDGQHHTCSA-N 440.377 5.302 10 40 IKCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C 409056846 OMLWNTIEJHVHIK-JAIQZWGSSA-N 426.944 5.137 10 40 IKCB CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 409350639 YRPVCPOOLBKNAL-BOPFTXTBSA-N 434.380 5.642 10 40 IKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 1340101 DHUBGGCGZMGKIS-UHFFFAOYSA-N 443.956 5.319 10 40 IKCB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1 1414926 XFRLTKHSCUWCDP-UHFFFAOYSA-N 435.911 5.540 10 40 IKCB O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1c(Cl)cccc1Cl 2637454 PUCGNLPDAOCPSL-UHFFFAOYSA-N 425.771 5.633 10 40 IKCB Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 6177819 HQFFZZSTEKGDEM-UHFFFAOYSA-N 441.527 5.905 10 40 IKCB O=C(N[C@H](Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 6446050 RUGXSZXNFBPZKD-NFOKUVPFSA-N 440.528 6.214 10 40 IKCB O=C1/C(=C\c2ccco2)SC(=S)N1CCC(=O)N(Cc1ccccc1)c1ccccc1 8820298 IHYJJOBCBVZNCI-LTGZKZEYSA-N 448.569 5.104 10 40 IKCB COc1cc(C(=O)Oc2ccc3nc4ccc5ccccc5c4nc3c2)cc(OC)c1OC 10129703 AMPVUKYGUSMFSH-UHFFFAOYSA-N 440.455 5.181 10 40 IKCB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13639387 ALUHAIVAFPIWOB-KNKQGSTJSA-N 425.370 5.758 10 40 IKCB Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 14010727 UBFJHUJBQABRAO-WOJGMQOQSA-N 441.270 5.228 10 40 IKCB CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 26680994 DPUJFRJDYWASKS-KQRQPNSISA-N 427.591 5.489 10 40 IKCB Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408876699 QBKAQOKKNOTZMC-LFVJCYFKSA-N 438.527 5.177 10 40 IKCB CCN1C(=O)/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)SC1=S 409332577 QJZKADBHTGYPNN-SXGWCWSVSA-N 445.928 5.436 10 40 IKCB COc1ccc(CCN2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1OC 1045063 ZBFBNIYUPPSLCH-JCMHNJIXSA-N 435.570 5.301 10 40 IKCB Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2cccc(O)c2C3=O)cc1 3848533 GYOOLBZBEMIASI-UHFFFAOYSA-N 434.495 6.272 10 40 IKCB biogenic CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 33362681 SSRTYUWOWSPNHH-PDGQHHTCSA-N 436.524 5.957 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1OC 34139187 KJVSCZMWXCHJHZ-KGENOOAVSA-N 432.907 5.500 10 40 IKCB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(C34CC5CC(CC(C5)C3)C4)SC2=NC1=O 41076316 ZYWQBVJYVXRYFH-DHJARPFTSA-N 443.576 5.312 10 40 IKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 101148485 ZXCCYUPNRNADGV-MDWZMJQESA-N 425.659 5.274 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@@H]21 102975335 FDLIDSSHLDAKTN-PLNGWDEDSA-N 431.963 6.411 10 40 IKCB COc1ccc(/N=N\c2ccc3oc(=O)c(C(=O)Nc4ccc(Cl)cc4)cc3c2)cc1 104306183 VEKUUVRAVGECSD-RQZHXJHFSA-N 433.851 6.123 10 40 IKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C 208327442 XFRCPIIWEXELFG-VYZAVGSRSA-N 435.543 5.339 10 40 IKCB O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@@H]42)c1 245232579 YBSJBYCBSDKPCS-BSTKLLGTSA-N 449.348 6.252 10 40 IKCB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408999260 QJOPKNSXRPLCFK-XHWLHZJSSA-N 430.508 5.992 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21 409161063 VVOSDJWGXFWXTG-VLXJIEOASA-N 425.153 6.591 10 40 IKCB O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 409177285 GSNZSLVIFGIPKO-LPYMAVHISA-N 449.959 7.191 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OC 409333797 WESRTENDZYPYMJ-GDNBJRDFSA-N 442.400 5.000 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)cc1 2700567 UZUUYCUMKDIUOT-LGMDPLHJSA-N 434.583 5.288 10 40 IKCB Oc1c(Br)cc(Br)cc1CNc1ccc(C(F)(F)F)cc1 8782245 BQQIBIWTTKVWTF-UHFFFAOYSA-N 425.042 5.548 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)cc1 9188658 PUGOZJQIIKAZJK-ULJHMMPZSA-N 445.609 6.018 10 40 IKCB Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1-c1cccc([N+](=O)[O-])c1 15525342 DKLMHGFTYSLSOL-UHFFFAOYSA-N 447.260 5.166 10 40 IKCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(C)cc2)cc1 17095416 GJUHSAGHTXOIGQ-MOHJPFBDSA-N 427.504 5.149 10 40 IKCB COc1ccc(/N=N/c2c(-c3cccs3)nn(C(=S)SC)c2C(F)(F)F)cc1 18119717 YDAIJSJRCCZXEH-QURGRASLSA-N 442.513 6.550 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(C(=O)OCC)cc1 96609549 PSGULOMJAZFKJD-RCCKNPSSSA-N 448.548 5.362 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc2ccccc2c1 205734873 HYCNEFJMKQCKMU-LPYMAVHISA-N 448.544 5.235 10 40 IKCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1 223104790 VKMBHDFUDVGLEW-JWQCQUIFSA-N 445.636 5.498 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)CSCc3ccc(Cl)cc3F)cc2)CC1 223307333 PRGBOYHSSURDOK-KRWDZBQOSA-N 435.008 5.826 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)OC)c3C)C2=O)cc1 408987086 VOJTURDXXAUONO-OQKWZONESA-N 439.511 5.652 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1 409176546 QQBROXUVZIAMTL-RGVLZGJSSA-N 442.968 6.292 10 40 IKCB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409213834 VJBFBNPLBKSFOE-YRIIZNAFSA-N 446.956 5.126 10 40 IKCB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccccc5Cl)c4C)c(=O)n3c2cc1C 409391562 IQDXEFLKGTZORY-UUYOSTAYSA-N 433.964 5.135 10 40 IKCB O=C(CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccc(O)cc1 1800071 GEGURYGYBXUCPO-XDJHFCHBSA-N 426.563 5.428 10 40 IKCB CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 2672571 XOJNEIPBZJSYHA-AQTBWJFISA-N 425.604 5.602 10 40 IKCB Cc1oc2ccc(O)c(CN3CCCC[C@H]3C)c2c1C(=O)Nc1cccc(Cl)c1C 5182562 DUQJXYCJYIKCIP-CQSZACIVSA-N 426.944 6.035 10 40 IKCB Cc1cc(C(=O)[C@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(C)n1-c1ccc(Cl)cc1 13095517 BZOFMNNHPCFDFE-HTUJPFKRSA-N 441.955 5.257 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1Cl 17086118 BBKJRRWZAXHYLA-PXLXIMEGSA-N 446.934 6.124 10 40 IKCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc34)cc1)N2 58837611 ICMCGLKUZCMDTF-ALTZYDRJSA-N 447.534 6.944 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(O)=NC2=S)c1C 59137424 WCTMDQBLELGWRV-CIAFOILYSA-N 447.535 5.522 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)cc1 59471540 OYWKBWRGWKNACN-KGENOOAVSA-N 447.328 6.318 10 40 IKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1nc2ccc(Br)cc2s1 101346764 BDVOKYXIWMMIFH-ZROIWOOFSA-N 447.745 5.431 10 40 IKCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 144226103 SBPHYRCOMJHERC-ULJHMMPZSA-N 445.588 6.181 10 40 IKCB COC(=O)/C=C(/C(=O)OC)N(Nc1ccccc1N=Nc1ccccc1)c1ccccc1 245238972 DDMKMQBGQLHBRH-IYAWTGHFSA-N 430.464 5.165 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408895881 WFWULEICAMRUHY-WQRHYEAKSA-N 430.331 5.994 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408983811 CTSLQYOICBYUPT-CJLVFECKSA-N 448.393 7.807 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S 409203699 YOHMHNYRVMVCOK-FYJGNVAPSA-N 438.549 5.360 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC 409330283 KOJLAAPZIGOTSG-RCCKNPSSSA-N 443.590 5.679 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC 409334328 XCVYTVPWUQBTMZ-VCHYOVAHSA-N 435.954 5.162 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)ccc1OCc1ccccc1 1795089 VBBKEEUHVRVHBL-STZFKDTASA-N 425.575 5.418 10 40 IKCB CN(Cc1ccccc1)c1cc(Nc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O 2304852 HPMVRUWBQGLIQX-UHFFFAOYSA-N 431.495 6.419 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1cc([N+](=O)[O-])ccc1O)c1ccc(C)cc1 13943529 ZIZQJDWOFVLIMI-LJSCERKKSA-N 439.471 5.499 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1 16292363 MEIXMBPJCNBDEA-UCQKPKSFSA-N 449.572 6.115 10 40 IKCB CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)SC1=S 27831969 SZRWOXTWXLQFHI-GRSHGNNSSA-N 447.412 6.218 10 40 IKCB O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1 58849953 HNLMZLWLGPCGPT-YZUZCNPQSA-N 447.516 5.222 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 113835276 FNUZNWDCHABPIM-RGVLZGJSSA-N 443.355 6.642 10 40 IKCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O 260567545 LSDMZDVXUASUMS-VTLGGBRFSA-N 444.597 5.175 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C(/Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 408631954 BPISTXAITSLTOI-CPNJWEJPSA-N 441.940 5.516 10 40 IKCB CCCOc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 408876848 OIUVGUNFJAIENE-UHFFFAOYSA-N 442.540 5.224 10 40 IKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Nc2ccccc2)cc1 408984136 FFSUBTNLEBSOPM-FCDQGJHFSA-N 448.953 7.555 10 40 IKCB CCOC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 2795153 PWNYGPSSWDPXCF-UHFFFAOYSA-N 438.936 5.557 10 40 IKCB O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccc(Cl)cc1 9296738 ISOJALHPPRBTHR-HYARGMPZSA-N 431.969 7.052 10 40 IKCB CCc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 9444576 DQAPJOAKCOISGB-QGOAFFKASA-N 430.982 5.132 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1 17112958 OFQGNNJCTLCIDP-GNMKNICSSA-N 443.553 6.043 10 40 IKCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NC2CCCCC2)cc1 19645036 RDVLBBPZLZGBEU-JWGURIENSA-N 446.576 5.252 10 40 IKCB CCCCCCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Cl 33602113 FIQYORVHDDDWCF-UYRXBGFRSA-N 431.363 6.759 10 40 IKCB CC(C)(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 408851959 OHIAUNYRMHLMLG-SDNWHVSQSA-N 433.360 5.122 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3F)C2=O)cc1Cl 408876762 NLSPIDZKEVBLAC-DEDYPNTBSA-N 448.881 5.045 10 40 IKCB CC(C)(C)c1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(C(C)(C)C)c1O 408969831 VHVBRVNLTHQAKR-ATVHPVEESA-N 444.497 6.336 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 681180 JIXQEESVSHUPHY-JLPGSUDCSA-N 426.516 5.280 10 40 IKCB CCCN(CCC)Cc1c(O)ccc2oc(C)c(C(=O)c3cc(OC)ccc3OC)c12 1318371 YZVQXCDIBMQGOP-UHFFFAOYSA-N 425.525 5.317 10 40 IKCB biogenic O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1cccc(F)c1 9849637 IUSNETIIWWCAGP-MTJSOVHGSA-N 439.508 5.950 10 40 IKCB Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 13895542 YZMSGBITRNDRTL-HAHDFKILSA-N 431.582 5.975 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(Br)c1 15008581 LNHYYKPPYUMPMJ-MKMNVTDBSA-N 445.190 6.162 10 40 IKCB CC[C@H](C)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Br 17095319 UASYUVIHYUYAAC-CCRNYGKSSA-N 427.342 5.680 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc21 260755908 CEZFZHAFRFTQNL-UZQPLGKSSA-N 439.028 5.956 10 40 IKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 408752752 GPEHMVYANLRJDU-LFVJCYFKSA-N 426.878 6.467 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccccc2F)C(c2ccccc2)=NN1c1ccccc1 409089505 JJMBHALVFHWUJQ-PLRJNAJWSA-N 448.497 6.239 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21 409161065 VVOSDJWGXFWXTG-XEKQOVJPSA-N 425.153 6.591 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2)cc1 409250967 ZAEOVHXJZOSUMK-XMHGGMMESA-N 448.544 5.117 10 40 IKCB Cc1oc2ccc(O)c(CN3CCCCCC3)c2c1C(=O)Nc1cccc(Cl)c1C 5182733 CYDPVFHMSOSOOP-UHFFFAOYSA-N 426.944 6.037 10 40 IKCB aggregator COc1ccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1Br 9763007 PGUIAAHDXZJXNP-DEDYPNTBSA-N 433.301 6.106 10 40 IKCB O=C1/C(=C\C(Br)=C\c2ccccc2)SC(=S)N1c1cccc(Cl)c1 100947611 MFQVQCLKNBRCSR-XMHXKSDUSA-N 436.783 6.025 10 40 IKCB S=C(Nc1ccccc1)Nc1nc(-c2ccccc2)c(/N=N\c2ccc(Cl)cc2)s1 104113150 FWRCRAHWQIXPOJ-DQSJHHFOSA-N 449.992 7.688 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1 106704257 VTXKFZSRKBXZHW-WQRHYEAKSA-N 431.355 5.060 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(I)cc3)cc2)C1 260467409 UHWIKXVNPAZDEO-JKSUJKDBSA-N 448.348 5.019 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 408987359 WVDKJKHVYUJLSI-LDADJPATSA-N 440.757 7.427 10 40 IKCB COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1 11868498 OBIADAXJYVPFDF-AWEZNQCLSA-N 447.453 5.567 10 40 IKCB biogenic O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S)c1ccccc1 28048214 UGPUWHAOYUZSKG-HMMYKYKNSA-N 432.526 5.025 10 40 IKCB C=CCOc1cccc(/C=C2\C(=O)N(c3cccc4ccccc34)C(C)=C2C(=O)OC)c1 34688561 JIARTLADTUFNDD-QJOMJCCJSA-N 425.484 5.282 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 35039851 CKRUBGLCNJHYKF-MOSHPQCFSA-N 436.514 5.823 10 40 IKCB Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccco1 102907368 LDXBECMGKIJQKC-OXQOHEQNSA-N 445.700 5.643 10 40 IKCB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219348894 RRYOIKZGHJMDCU-KDYSTLNUSA-N 430.592 6.111 10 40 IKCB Clc1cccc2c1N[C@@H](c1ccc(OCc3ccc4ccccc4c3)cc1)[C@H]1CC=C[C@@H]21 408736204 LAHXRZLTIBXAOH-QQNWGBJXSA-N 437.970 7.899 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)c(C)c3)C2=O)cc1OC 408755719 MNGQBBCSOVQIAO-CPNJWEJPSA-N 449.909 6.276 10 40 IKCB Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(Br)cc1 409099327 LBYYVHBSOKTAOS-NDENLUEZSA-N 425.351 5.942 10 40 IKCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C 409242077 UJOQMKZEBHTAQH-HZHRSRAPSA-N 443.572 5.049 10 40 IKCB CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O 409348626 NXHQNEAFWRJFHA-WOJGMQOQSA-N 448.407 5.870 10 40 IKCB COc1ccc(N2CCN(C(=S)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1 9188024 JZINEJSJPIRQNJ-UHFFFAOYSA-N 440.653 5.494 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccn1)N1CCCCC1)c(O)c1ccccc12 12555250 CNPNLCDEPHHLAW-DEOSSOPVSA-N 444.531 5.747 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 13801166 KOXJPAPYSAWDQV-JCMHNJIXSA-N 446.597 5.768 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1 35039450 OHPMXEBVFPTWJR-LFVJCYFKSA-N 445.609 6.542 10 40 IKCB COc1cc(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2oc(-c3ccccc3)cc(=O)c12 100654481 KBQVRFHSKXFXPL-CLYVBNDRSA-N 433.548 5.575 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222964949 DIACPPVACDFESU-DHIUTWEWSA-N 439.028 5.915 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)SC2=S)cc1C 408599906 OBYAKHDIEYCRPD-JAIQZWGSSA-N 427.497 6.247 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2O)cc1 2281981 MEFIPIBPCGUAKQ-LFVJCYFKSA-N 449.510 5.123 10 40 IKCB O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1c1cccc2ccccc12 113834954 KTJZSRYKSBAACT-YZSQISJMSA-N 447.584 7.552 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1 223855324 LMKPJWBWRDINOD-DQEYMECFSA-N 440.572 5.372 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(F)cc1 224165413 PUOFMNFAXHAGBZ-JWQCQUIFSA-N 442.563 5.805 10 40 IKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1-c1ccccc1 224416506 DQIHYZQUKVTYBX-DNQXCXABSA-N 428.536 5.497 10 40 IKCB 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10 40 IKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)c1 409172817 LOXFGLUKENNSDN-VGTOOOLASA-N 429.225 6.747 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(O)=NC(=S)N1c1ccc(F)cc1 1310318 QUUZEPZSWHOPJD-BOPFTXTBSA-N 426.856 5.411 10 40 IKCB O=C1Nc2ccc(S(=O)(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c3cccc1c23 8871953 ZLQYAKAMELZSDB-OCEACIFDSA-N 428.473 5.622 10 40 IKCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 13915474 WZELXFFUCZKJAA-BOPFTXTBSA-N 441.270 5.758 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3c(-c4ccccc4)[nH]c4ccccc34)C(O)=NC2=S)cc1 38163102 BGAVDXNGDHPBFC-QNGOZBTKSA-N 437.524 5.815 10 40 IKCB Cc1cc(/C=C(/Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1ccc2c(c1)OCO2 408634816 VCMIVTGGHSZZHC-UFFVCSGVSA-N 434.473 5.182 10 40 IKCB COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 408736068 CVBMXRGQNPODPV-SWYRRKHMSA-N 428.488 6.009 10 40 IKCB Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(O)cc2)c1 408758830 SCELBMFQTKECDA-KGENOOAVSA-N 433.305 5.298 10 40 IKCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(Cl)c1Cl 408903582 TUEONQGKWQJJFD-ODLFYWEKSA-N 440.355 5.171 10 40 IKCB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1 409330153 JQBFQGIGAGTWGB-FRKPEAEDSA-N 449.782 5.990 10 40 IKCB Cc1ccccc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 2305474 PSJMSPLPTSMBCQ-IAGOWNOFSA-N 439.515 5.705 10 40 IKCB CC[C@H](c1ccc(O)c(CN(CC)CC)c1)[C@H](CC)c1ccc(O)c(CN(CC)CC)c1 4429822 KLAAJAVVGWYOPE-CLJLJLNGSA-N 440.672 6.469 10 40 IKCB Cc1cc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(C)n1-c1ccccc1 12638755 OYGAHIXUAFOJCB-MUUNZHRXSA-N 448.522 6.356 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14414286 YZVMBYVGULXYTF-UQQQWYQISA-N 439.511 5.660 10 40 IKCB COc1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCC4)C3=O)o2)c([N+](=O)[O-])c1 16694909 KMUIGXDTTBQJCP-WOJGMQOQSA-N 430.507 5.007 10 40 IKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cccc(Cl)c3C)C2=O)cc1 17097737 GJMQVTQRDFYJIV-QJOMJCCJSA-N 431.923 5.794 10 40 IKCB 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C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)C1 44854934 QIQAOSIZJUZDNE-PQNGQFLHSA-N 437.603 5.151 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)N21 222701832 MPWKEGTUXPTTDJ-PKKBDPGCSA-N 446.576 5.197 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 260777783 QSCSLAKOKQHGPC-PBXXJUDPSA-N 430.621 6.085 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1 408759644 IPEQNZROJDQRCO-NKFKGCMQSA-N 443.974 7.163 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1 409183059 QUXSZWFPQMKBRR-ZDLGFXPLSA-N 433.888 6.284 10 40 IKCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)c1 409236440 GGNNNWBQTALTOZ-PCLIKHOPSA-N 435.527 5.649 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC 409342030 BDRSIDLUJNYKMQ-JAIQZWGSSA-N 443.546 5.009 10 40 IKCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1Cl 409400900 UXNMCXMMASCZGM-JCMHNJIXSA-N 441.918 5.113 10 40 IKCB C[C@H]1CCC[C@H](C)N1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(N)oc12 2199953 WNYYRVZLSZMJQM-KBPBESRZSA-N 435.549 5.120 10 40 IKCB COc1ccc(N2CCN(C(=O)CC3(c4ccccc4)C4CC5CC(C4)CC3C5)CC2)cc1 3125723 CYCWPLIUCSTBRJ-UHFFFAOYSA-N 444.619 5.128 10 40 IKCB COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 9076609 DDCRWQPCZQRMBM-DFIYOIEZSA-N 443.474 5.658 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccccc4C)c4ccccc34)C(=O)N=C2S1 13807035 QXUCKOUUNUEQNG-ZQCYNNBZSA-N 442.544 5.196 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)c2C)cc1 35105416 PGMMIFVBHXYBIC-FZAWDKCWSA-N 445.573 5.132 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c1C 59135929 OYZUGFUSFUKUQX-CPNJWEJPSA-N 447.535 5.522 10 40 IKCB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 100555835 VDUKWUUTFOGHJR-OEAKJJBVSA-N 436.433 6.091 10 40 IKCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222922212 GFLQYFPKNIFGFL-BJKOFHAPSA-N 434.609 5.126 10 40 IKCB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225655985 VSTIHRFCNSQKRK-MRXNPFEDSA-N 446.016 5.411 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)cc2)cc1 408761535 GLWHJCILOUOPCL-LPYMAVHISA-N 437.326 6.145 10 40 IKCB O=S(=O)(O)c1ccc2c(/N=N/c3ccc(O)cc3)c(/N=N/c3ccccc3)ccc2c1 3844583 AGKNWSPMHKJQJZ-OGGGYYITSA-N 432.461 6.623 10 40 IKCB CCN(Cc1ccccc1)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)c1 4523129 GAHIPYIXWHPTTH-GHVJWSGMSA-N 440.481 5.283 10 40 IKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 9188692 MUVXJUSPDJWKKK-PAJXCOJRSA-N 431.582 6.228 10 40 IKCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=O)N=C2S1 9291938 FWTURAIMIGOBCV-MLDLNWIHSA-N 440.956 5.964 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc4ccccc34)C2=O)cc1 13799060 LEKTUPPNZNUPTC-QNGOZBTKSA-N 432.570 5.378 10 40 IKCB O=C(Nc1cccc(Cl)c1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 16525551 JWTFIOUUOIEXKH-UHFFFAOYSA-N 433.898 6.995 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(Br)cc1 58884032 RZLMIIVOTRVHRF-MOSHPQCFSA-N 440.337 5.450 10 40 IKCB COc1ccc(-c2nnc(N/C=C3/C(=O)N(c4cccc5ccccc45)N=C3C)s2)cc1 101113879 GGZMBTUZMITOTA-XSFVSMFZSA-N 441.516 5.085 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(F)cc3)C1=O)[C@H](C)CC(C)(C)N2C 208224637 ZFPOQSCUVZDSOV-YSUUHWHMSA-N 438.568 6.093 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(O)cc1 225016805 XXJLEYCFGDGBRP-ZEQRLZLVSA-N 432.593 5.110 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 408737624 FCBSAHFUNZVXNY-CAPFRKAQSA-N 445.360 5.986 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1 408771494 HJRJCQQCFOBTIS-MFUBYVTQSA-N 437.996 5.910 10 40 IKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 6241504 IYFBLMBSWRSJAH-VBDVSPKPSA-N 432.608 5.441 10 40 IKCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)cc(Cl)c1 8820354 MHTOLSIPWLJRRW-GUSDSWBTSA-N 449.384 5.390 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c(C)n1-c1ccc2c(c1)OCO2 13148392 OGPSJHKCAMMSNS-UHFFFAOYSA-N 446.286 5.169 10 40 IKCB Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1C 19793917 VVKPVCCSXUXPJL-UHFFFAOYSA-N 447.453 5.912 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1Cl 33422572 SVHXYMJIAJCGJA-VFVRVIDISA-N 442.127 6.425 10 40 IKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2cccc(Cl)c2)C(=S)N=C1O 33727743 FMHDBUFYOVVODV-LICLKQGHSA-N 443.931 5.059 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(Cl)c2C)cc1 408777435 ZBNGUKBZIDXUQY-XSFVSMFZSA-N 430.891 6.336 10 40 IKCB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408799085 GTGIPVCQDHMDED-UHFFFAOYSA-N 438.960 5.519 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409216866 PCVULPBYILTHQQ-CIAFOILYSA-N 436.964 6.605 10 40 IKCB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 409247733 NJJGBVCGRKZRFO-KGENOOAVSA-N 426.969 5.875 10 40 IKCB CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 409345129 JXAVZQIOQYGVEY-ATVHPVEESA-N 440.428 5.772 10 40 IKCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(Cl)cc1Cl 1311707 FBJGXFMKSARUPI-GDNBJRDFSA-N 441.361 5.207 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 9188789 RGQIEKFBPIUAOJ-KQWNVCNZSA-N 431.582 6.234 10 40 IKCB O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C/c1cccs1 13779143 UFIKSCMEOFNNCY-RELWKKBWSA-N 445.613 5.126 10 40 IKCB CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O 16322998 XKDDZTSAIRCYIY-RGEXLXHISA-N 425.619 6.393 10 40 IKCB COc1ccc(CN(Cc2ccncc2)Cc2ccc(N3CCCC3)c(F)c2)c(OC)c1 19552164 XDOYWDIGVGIUCH-UHFFFAOYSA-N 435.543 5.041 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cc(C)cc(C)c4)C(=O)N=C3O)c2C)cc1 27520665 USXKRYPZTYJHGX-UCQKPKSFSA-N 427.504 5.526 10 40 IKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 32189200 UJBODOYKWBPKKC-ROKPMTFOSA-N 431.919 6.444 10 40 IKCB COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OCc1ccccc1Cl 96193374 WSGLEMFJNNRJEX-QNGOZBTKSA-N 432.907 5.734 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccccc4C)=NC3=O)cc2[C@H](C)CC1(C)C 208319119 ZNNCPBICYJNVPU-NLKUQUHMSA-N 433.621 6.498 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc21 223483523 ULVWYBJERGICLP-HYARGMPZSA-N 443.547 5.072 10 40 IKCB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225655317 QSSNJWBSRVTMPJ-SFHVURJKSA-N 425.598 5.066 10 40 IKCB Cc1cccc(COc2ccc(/C=C3\C=C(c4ccc(Br)cc4)OC3=O)cc2)c1 408743740 UTTCSOAXMYFZMF-KGENOOAVSA-N 447.328 6.318 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Cl)cc1 408753309 GGNRNFCAKUOMJF-PXLXIMEGSA-N 447.878 5.481 10 40 IKCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1 408871972 IPFQDGCCOIULCW-KOEQRZSOSA-N 438.527 5.123 10 40 IKCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(C)C)c2C)C1=O 409009650 AZVMKDLCSZRHNP-VYVDHXHBSA-N 440.565 5.205 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409071278 QINLKVLUHGCPJJ-YDZHTSKRSA-N 433.939 5.968 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C 409073857 IZFGTMWFTNPGIC-SRZZPIQSSA-N 437.902 5.288 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 409155072 PNTQJFVRXWSMLW-IGCXYCKISA-N 428.679 6.948 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2C)SC1=S 2840109 RBCGHNMAIXAUPD-WQRHYEAKSA-N 448.407 5.558 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O 3768792 NOFRSBAOUSNEKD-HZHRSRAPSA-N 433.598 6.651 10 40 IKCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C 9232956 UYOIJVWWRDXGDK-RDJYZGLESA-N 439.544 5.070 10 40 IKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 26686984 BDGVJRKAMQMRAU-DABDWFRDSA-N 436.514 5.817 10 40 IKCB Cc1ccc(CNC(=O)CCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1 27020261 WVXCJHNWZBEISQ-STZFKDTASA-N 438.618 5.026 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccccc4)C(=S)N=C3O)c2C)cc1 33636140 NGUGJTLHQJMJIA-HYARGMPZSA-N 429.545 5.070 10 40 IKCB CCOC(=O)c1c(C)oc2c1c(CN1CCN(c3ccccc3)CC1)c(O)c1ccccc12 54114208 KVXIGPHKXCBPEY-UHFFFAOYSA-N 444.531 5.099 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222964771 DIACPPVACDFESU-GOTSBHOMSA-N 439.028 5.915 10 40 IKCB COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2oc(Cl)nc2c1 225982625 NDAHKLBYSNSSJQ-UHFFFAOYSA-N 437.927 5.178 10 40 IKCB CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486890 LPDDLBIBEDCDEM-PGRDOPGGSA-N 426.925 5.748 10 40 IKCB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260579001 ZKVUVGFHBOMNMB-BSRJHKFKSA-N 431.045 6.324 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 408760679 CXZOONRDALQLBE-RGVLZGJSSA-N 445.708 6.620 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)o2)cc1[N+](=O)[O-] 409207424 WQOQZROSOKCRHP-YBFXNURJSA-N 439.518 5.119 10 40 IKCB CC(C)CN(Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12)CC(C)C 2726690 FOYMDGCVLKGUMB-UHFFFAOYSA-N 447.531 5.386 10 40 IKCB biogenic COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)C 3769493 XRMPCAUYRTVBNJ-GIJQJNRQSA-N 437.945 5.681 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 4107013 PLAIEIXVHBMPDU-IWIPYMOSSA-N 445.538 5.624 10 40 IKCB CC1=CN2C(=N)/C(=C\c3cn(CCCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 8684681 PMTIBESCFQQNOG-OMYHDSEFSA-N 442.544 5.277 10 40 IKCB aggregator Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1ccc(F)c(Cl)c1 9469944 JYYYADJDGHZCRX-UHFFFAOYSA-N 425.847 5.198 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)o1 12407172 UQRBSUWHXDZPSQ-STZFKDTASA-N 449.484 5.069 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1 35043095 UQNXOJYRVBOLKF-BKUYFWCQSA-N 433.489 5.808 10 40 IKCB Cc1cc([N+](=O)[O-])ccc1/N=N/c1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc12 38611038 KDLDNQQRGJAGIS-BYYHNAKLSA-N 440.459 6.738 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222836226 QPCOZQDALRCEIH-PKTZIBPZSA-N 439.028 5.832 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C 222870619 GRVUQCXBCDRMRR-UIOOFZCWSA-N 440.616 6.025 10 40 IKCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225020849 HACFNBAKMAHAKG-BJKOFHAPSA-N 431.609 5.108 10 40 IKCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 2259284 CTAHPQVVZIYHCC-LZYBPNLTSA-N 426.346 5.416 10 40 IKCB CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 8819786 FZRQIQAGKYLRCQ-HOJYTFPLSA-N 444.666 5.548 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 33778255 CVDCKUJAMPKQLQ-UCQKPKSFSA-N 427.504 5.911 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 219005347 LNWXAQKICGCUKN-HSZRJFAPSA-N 426.604 6.199 10 40 IKCB COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1OC 226869879 RJWSLZOBEJBVOF-SIFCLUCFSA-N 433.289 5.135 10 40 IKCB Cc1cccc(COc2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)cc2)c1 409207549 WPUAHDIMMUDDNH-HYARGMPZSA-N 434.586 5.530 10 40 IKCB COc1cccc(/C=C2\SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)c1OC 2444419 PFLQXVZPPGZHEZ-NVNXTCNLSA-N 442.846 5.458 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 12436920 SDSNPUMVZIJDBQ-JJIBRWJFSA-N 443.572 5.043 10 40 IKCB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1 16637772 OYPBCVBRTJXCMY-UHFFFAOYSA-N 438.597 5.734 10 40 IKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3ccc(Cl)cc3)C2=O)cc1 19644113 ZDGLUJBQWRZYLB-MOHJPFBDSA-N 445.950 5.206 10 40 IKCB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 58846067 ZNFGXMMHVVYZRK-VVZHRXSXSA-N 448.563 6.015 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1cc(Cl)ccc1Cl 100524936 HBSIOLKTUUJOJG-GEJZQBIKSA-N 444.347 6.300 10 40 IKCB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 219688441 YDXCGXIPHYGFRX-FGTMMUONSA-N 445.401 5.330 10 40 IKCB C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 225664140 RFTMRJIMYRTGSI-CQSZACIVSA-N 441.950 6.397 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Cl)cc1 408987795 YGYYDOGIRMKRQX-SFQUDFHCSA-N 426.730 7.118 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 409023217 VCIQGUWSEYLUBF-PXNMLYILSA-N 436.722 5.832 10 40 IKCB Cc1cccc(COc2ccc(C[C@@H]3SC(=S)N(CCc4ccccc4)C3=O)cc2)c1 409159872 AVRTZPAKCKQLIT-DEOSSOPVSA-N 447.625 5.588 10 40 IKCB O=C(NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)c1ccccc1Cl 1298789 ORVNQHJGCPFNJT-ZSOIEALJSA-N 443.764 5.193 10 40 IKCB Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1-c1ccc(F)cc1 3358559 LISBIRHSCJHQMV-UHFFFAOYSA-N 441.509 5.726 10 40 IKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(Br)cc1 8872616 LFEXRGIQCHTETF-RGEXLXHISA-N 430.342 5.012 10 40 IKCB COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)cc1 8914925 ROYAWXPOURYKLU-AWEZNQCLSA-N 447.453 5.425 10 40 IKCB biogenic COc1cc2c(cc1NCC(=O)Nc1ccccc1Br)oc1ccccc12 11619273 JVCBTBSOKYQBFW-UHFFFAOYSA-N 425.282 5.408 10 40 IKCB CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 17095419 TXWOKFNLVSYBTP-MOHJPFBDSA-N 427.504 5.231 10 40 IKCB COc1cc(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc(OC)c1OC 18054693 BZNDRAQWDSCDCL-OQLLNIDSSA-N 439.320 5.102 10 40 IKCB CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 22419042 AFIXGSCNDYONJF-RUZDIDTESA-N 444.579 5.077 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)nc1 224173605 GRKOGMFTGBWNJK-DQEYMECFSA-N 439.588 5.370 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225014701 CTKIPRASXOHFPI-UIOOFZCWSA-N 444.648 5.967 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408786781 NMPOTDMECNMHNK-WYMPLXKRSA-N 446.616 6.228 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3CC)C2=O)cc1 408985424 LYAJAYSLEWPCEG-OQKWZONESA-N 429.947 6.772 10 40 IKCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408998241 INIKZTCEHXIZFU-MTJSOVHGSA-N 438.549 5.301 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N(c2ccccc2)C1=S 409023222 YPUDZJNUNWVGEQ-HMMYKYKNSA-N 434.492 5.039 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/C=C(c4ccc(Cl)cc4)OC3=O)o2)c(Br)c1 4211743 IBPCCMCKXGYHFM-PTNGSMBKSA-N 441.708 6.652 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 8819114 HTHMNGVNIOEULQ-STZFKDTASA-N 448.569 5.078 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccccc1 9296538 PGOIKDCQCANWHK-KGENOOAVSA-N 437.973 6.325 10 40 IKCB COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)c2ccc(C)cc2)cc1 9328864 QMIWHIWIOBMTSK-AREMUKBSSA-N 436.511 5.854 10 40 IKCB CC1(C)CC(NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC(C)(C)N1 17096731 UGIHQQPVPTZYBZ-UHFFFAOYSA-N 430.017 5.167 10 40 IKCB O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccc(Cl)cc1 20324901 UBHNFVBERSSDSX-PDGQHHTCSA-N 444.002 6.631 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1cccc(Cl)c1 28644998 CMXVJAUHHHWJQM-WQRHYEAKSA-N 432.353 6.659 10 40 IKCB Cc1cccc(COc2ccccc2/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1 59136425 ZMVJPSGVYZVKCD-XMHGGMMESA-N 446.503 5.385 10 40 IKCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1ccccc1 223878830 WJLXYELDRCLEDC-ZEQRLZLVSA-N 426.545 5.063 10 40 IKCB C[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(N2CCCC2)cc1 225695387 MBHPDJGRMHHWFY-CYBMUJFWSA-N 438.822 5.750 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Cl)N1c1ccccc1 408765808 QMESJCKZPCDRJK-UDWIEESQSA-N 427.718 6.481 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 640814 BEDFKBJEQSTTFJ-QGOAFFKASA-N 439.298 5.034 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 33725336 RMDHLJWOYVQVBS-MHHBVAOCSA-N 439.972 5.413 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 96505101 NSWYOYWICFYPDB-XQNSMLJCSA-N 447.581 6.070 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC 409343167 CQPOPCMKNACGIR-QNGOZBTKSA-N 443.590 5.679 10 40 IKCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)s1 409345805 MCWDJWRPFNLCIR-NTUHNPAUSA-N 430.801 5.878 10 40 IKCB O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(Br)cc1 2763039 FBFMKKIVNBXQGY-UHFFFAOYSA-N 429.748 5.027 10 40 IKCB Cc1cc(O)c(Sc2nc3ccccc3s2)cc1NS(=O)(=O)c1cccs1 8870424 SMYNVVZRKORKRR-UHFFFAOYSA-N 434.589 5.324 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 33386894 DRGUQLWFWZVQJP-RNJGGXIZSA-N 447.608 5.910 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1 223094322 HPTLWIODRHCZHX-RPBOFIJWSA-N 430.621 5.794 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1 223094780 MHDHBDSZEYPDMJ-CLJLJLNGSA-N 444.648 6.103 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 408902474 OEORUMMYQLFSBB-SRZZPIQSSA-N 434.542 5.229 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c([N+](=O)[O-])cc(C)c(C)c2[C@@H]2C=CC[C@H]21 409172137 IILZURCHKMRPLY-STXHMFSFSA-N 429.314 5.809 10 40 IKCB Cc1cc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1 409174023 PXWZQEYABLCZBU-LPYMAVHISA-N 433.939 5.770 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)c2C)cc1 409208941 DLKAIXSKTWOLRO-BKUYFWCQSA-N 437.590 5.058 10 40 IKCB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1 1183000 VKIVWMRTLXYVLM-LFIBNONCSA-N 437.373 5.223 10 40 IKCB O=C1c2ccccc2C(=O)c2c1oc(C(F)(F)F)c2C(=O)c1ccc(Br)cc1 10034955 XLJDHEVMPVESPF-UHFFFAOYSA-N 449.178 5.067 10 40 IKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc34)cc1)N2 14186366 RCPYPCXIPJUEHV-XHWIWGEHSA-N 445.562 7.448 10 40 IKCB COc1ccc(Cl)c2ccc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)nc12 32051723 DXAQEKUPXSVYGD-RQZCQDPDSA-N 428.922 5.008 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(CCC4=CCCCC4)C(=S)N=C3O)c2C)cc1 33595969 AVIBXWZPBFDVDN-XQNSMLJCSA-N 447.604 5.760 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)S1 35043101 YSLOHKCYJYKNBK-BKUYFWCQSA-N 433.489 5.808 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)cc1 41108541 ALINENQOSFJVJV-ZHZULCJRSA-N 437.611 6.540 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3F)o2)SC(=S)N1c1ccc2c(c1)OCO2 54360606 SQUGJQCGHKSCNK-GRSHGNNSSA-N 425.462 5.220 10 40 IKCB Cc1c(O)ccc2c1oc1c(-c3ccc(O)c(O)c3)c3c(O)nn(C4CCCCC4)c3nc12 79473785 QIUBFPLHLRCBGB-UHFFFAOYSA-N 445.475 5.634 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 144199214 STPAEJVNNWDTQK-ULJHMMPZSA-N 430.573 6.678 10 40 IKCB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1 224550695 CORXCINIKYYGPJ-JWQCQUIFSA-N 440.572 5.366 10 40 IKCB Cc1cc([N+](=O)[O-])ccc1N=Nc1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc12 299888462 KDLDNQQRGJAGIS-UHFFFAOYSA-N 440.459 6.738 10 40 IKCB O=C(Nc1cccc(Cl)c1)c1cc(/N=N\c2ccc([N+](=O)[O-])cc2Cl)ccc1O 102654606 GDXQTBCVFFUYAF-VHXPQNKSSA-N 431.235 6.275 10 40 IKCB COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3nc(Cl)sc3c2)c1C 225985651 HSURMFJMPXUNCY-UHFFFAOYSA-N 439.968 5.638 10 40 IKCB COc1ccc2ccccc2c1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C 409039613 RNPHGJQTIYZCSF-LCYFTJDESA-N 432.348 5.350 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1C 2234137 UJEGQGRVFWWBFA-LPYMAVHISA-N 447.922 5.031 10 40 IKCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 3011910 GGWIDFRWAMXJIJ-CAOOACKPSA-N 440.373 5.460 10 40 IKCB Cc1cc(Br)c2c(c1NC(=O)Nc1ccccc1)C(=O)c1ccccc1C2=O 16268838 KTUDFQHRNPNLGW-UHFFFAOYSA-N 435.277 5.177 10 40 IKCB COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccccc4O)C=C3C)nc2c1 72320961 NEKFVUNFQVQGOG-FUDKSRODSA-N 433.596 5.464 10 40 IKCB biogenic,in-vitro COc1ccc(-c2coc3c(CN4C[C@]5(C)C[C@@H]4CC(C)(C)C5)c(O)ccc3c2=O)cc1 100798559 MYEUUXSFZCEDQF-XRHLQHRESA-N 433.548 5.575 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 408900938 AHPYETHSILWJBP-XQNSMLJCSA-N 439.946 6.458 10 40 IKCB CCn1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c2ccccc21 409330367 LCDZMJQSRPSYPI-GRSHGNNSSA-N 428.966 5.729 10 40 IKCB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Cl)cc1Cl 409344220 IFUAYNLRWWQJDP-VGOFMYFVSA-N 434.291 6.418 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1 9188505 NSWYOYWICFYPDB-KQWNVCNZSA-N 447.581 6.070 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1 9193245 MEDBJRMPZRTLEF-NLEVOZIKSA-N 433.581 5.466 10 40 IKCB Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 14458422 OBCUTUIABROQMM-CLCZQPDDSA-N 444.600 6.239 10 40 IKCB Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C)C1=O 27018415 WOXCKSZFIPNRNQ-BKUYFWCQSA-N 433.602 5.802 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1 34713532 HFJSIVHGJGPBHH-PDGQHHTCSA-N 439.298 5.034 10 40 IKCB CCN1/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)Sc2ccc(Cl)cc21 100200283 CQBVYNYPCXVZHX-ZPHPHTNESA-N 433.023 5.544 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 222792139 SYGLZJGBMQNHRR-VXKWHMMOSA-N 441.000 5.144 10 40 IKCB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 222938027 NVMZVYUVPLPGQB-SWYRRKHMSA-N 436.640 6.255 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Br)N1c1ccc(F)cc1 408763489 PFGFJRIXKTUBSW-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9009933 HXHIWHPHFWOLRQ-UODIDJSMSA-N 433.507 5.017 10 40 IKCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 9572253 RNHGQVZRDJKUBJ-UHFFFAOYSA-N 425.863 5.490 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1cccc(F)c1 59136171 NOGOQFQLWIJUIL-WOJGMQOQSA-N 437.471 5.044 10 40 IKCB CCN1/C(=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)Sc2ccc(Cl)cc21 102149394 MDVOQYVRFMSVIH-JFLJVCDGSA-N 433.023 6.063 10 40 IKCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2[C@H](C)CC1(C)C 208316566 JSJCDJIVGMLMMC-SDLXJUDFSA-N 445.563 5.082 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(F)c1 223096483 NYBUCAISQISJSH-LOSJGSFVSA-N 448.611 5.933 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 409060525 XAVOVGARJZSHAZ-QNGOZBTKSA-N 446.934 5.625 10 40 IKCB Cc1ccc(NC(=O)c2c(NS(=O)(=O)c3ccccc3)sc3c2CCCC3)cc1C 409122518 ZBQKNGNTJWLTBC-UHFFFAOYSA-N 440.590 5.297 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1C1CCCCC1 409338917 CATINTDQCNTGIJ-STZFKDTASA-N 444.021 6.453 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc2c(c1)OCO2 409346892 OPZJMSMDBQZEHK-WSDLNYQXSA-N 447.537 5.400 10 40 IKCB CCOC(=O)c1c(N/C=C2\SC(=S)N(c3ccccc3)C2=O)sc2c1CCCC2 618254882 IISASMSLPKGYQO-VBKFSLOCSA-N 444.603 5.122 10 40 IKCB COc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3nc2-c2ccc(OC)cc2)cc1 826716 VZMKDJOWKZIFHB-UHFFFAOYSA-N 449.510 6.356 10 40 IKCB Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1C 8871700 SPAKMFGNAPCKRK-UYRXBGFRSA-N 428.554 5.063 10 40 IKCB COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1OCc1ccc(C)cc1 9187887 IDVUBHJASDUEPU-KQWNVCNZSA-N 436.577 5.429 10 40 IKCB CCc1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1C 15013588 DPRJKVIDTCXOQW-OEAKJJBVSA-N 434.536 6.032 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 34869015 HAHUUTRVSNMCRN-HAHDFKILSA-N 447.581 5.988 10 40 IKCB COc1ccc([C@@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@@H]2c2ccccc2)c(OC)c1 106596918 WMPNNQAGXROZLX-BWKNWUBXSA-N 438.483 5.574 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 409343216 DAYZPXYDMJCNQC-VGOFMYFVSA-N 445.190 6.162 10 40 IKCB CN(Cc1ccccc1)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1 2037931533 ALIVLULSVIPTJK-UHFFFAOYSA-N 442.607 5.419 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 8821344 FLSFKGFGYOYHFX-JLPGSUDCSA-N 445.609 6.542 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc5ccccc5c4)C3=O)n2)cc1 100510816 ADMTZQNLIIVACB-KQEYZTLISA-N 441.516 5.847 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc2ccccc12 222610524 LZXJBZYRQQTJJP-FMLDBKJISA-N 438.600 6.232 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 223493489 NJOJQDDCLSWSEZ-UCQKPKSFSA-N 432.589 6.333 10 40 IKCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 408736447 TWXHQLFMVSVOCK-UMFSSWHCSA-N 425.528 6.269 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Br)cc2)cc1 408841556 JSNAHQLBHVVRCK-XSFVSMFZSA-N 437.293 5.275 10 40 IKCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 409061120 VPQFHKGHGDKAJR-OYKKKHCWSA-N 434.580 5.430 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1Cl 409174674 NTEVBSSRYWXJPH-RLSLOFABSA-N 438.423 8.112 10 40 IKCB COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O 409222204 VYWGTBVMPXTCQB-ULJHMMPZSA-N 446.572 5.834 10 40 IKCB Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1 2335739 WATPEKBZPWEWEB-UHFFFAOYSA-N 435.351 5.890 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 3659109 CYXSAZUJYIMJMP-IWIPYMOSSA-N 447.966 6.187 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 9193107 VSUKTWRURZHIHM-DMNVVODESA-N 437.544 5.433 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1Cc1ccccc1 9296460 KJPDHMZPNBGITA-YBFXNURJSA-N 446.380 6.655 10 40 IKCB COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1 9361420 MMJRBYXDWXZYOK-WYIJSASQSA-N 432.907 5.445 10 40 IKCB CCOC(=O)c1ccccc1NCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 15133593 PSLUXWJYQPBIAU-DEDYPNTBSA-N 440.590 5.258 10 40 IKCB COc1cc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 16195131 RNDUVUOEOQNPKG-FGSXEWAUSA-N 436.349 6.446 10 40 IKCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 35059631 XZRBUYBVCOKFQU-OQYABBNDSA-N 449.580 5.158 10 40 IKCB COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 59267196 HDILAOFDMAEPHF-SIFCLUCFSA-N 445.313 5.509 10 40 IKCB CCN1C(=O)/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)SC1=S 108073356 LHEATMYNKZNAIJ-BKUYFWCQSA-N 439.989 6.293 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)nc1 224173494 GRKOGMFTGBWNJK-RPBOFIJWSA-N 439.588 5.370 10 40 IKCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc34)cc1)N2 408736477 VKCHFOLFXPOZQR-ALTZYDRJSA-N 448.522 7.154 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 408756680 UAJBQKLDEVTSAN-ATVHPVEESA-N 447.874 5.224 10 40 IKCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3cccc(F)c3)cc2)C1=O 408876589 MOKFOVPYKOKANB-FYJGNVAPSA-N 448.881 5.045 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 409327982 OPULLLQWXHJTKG-CPNJWEJPSA-N 444.534 5.188 10 40 IKCB COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OC 2259382 SWGHJPVHYDIAPY-OVCLIPMQSA-N 426.346 5.416 10 40 IKCB COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 32180855 KLLKBTDTOANIRJ-RQTOMXEWSA-N 432.545 5.323 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)cc1Cl 33149741 VFHADOXUMSWDKD-CPWDNUMFSA-N 426.929 5.574 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br 33424116 CCWRMQPQVYNIBS-NVNXTCNLSA-N 440.771 5.517 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3cccc(Cl)c3Cl)C(=O)N=C2S1 41083222 SFUVQEZVQDMXPF-LVQJIDBXSA-N 432.336 5.059 10 40 IKCB CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1O 100925441 MRKGAEHVCRQUOV-NTUHNPAUSA-N 426.097 5.268 10 40 IKCB CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2c(c1)nc(Cl)n2C 222564447 LMHVREAQTTVUFE-UHFFFAOYSA-N 448.998 6.077 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 222791725 XDCSIVILOGXIOD-FCHUYYIVSA-N 425.001 5.443 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(F)cc2)c1 408840026 AJIZHQKEVPCWSS-KGENOOAVSA-N 435.296 5.731 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc12 409340588 ZSPRKHGRXNITFW-GRSHGNNSSA-N 446.380 6.561 10 40 IKCB O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1ccc(Cl)cc1Cl 409343373 GSTPRQSICNVKKQ-PXNMLYILSA-N 434.325 5.506 10 40 IKCB CCOC(=O)c1sc2nc3c(c(-c4ccc(Br)cc4)c2c1N)CCCC3 1253181 SHEHZPDJWJNVFD-UHFFFAOYSA-N 431.355 5.364 10 40 IKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Br)cc1 8826703 KDFDHDNZJDIUHZ-NBVRZTHBSA-N 447.288 5.829 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCCCC4)cc3)cc2)C1 44854989 JFLJUAYCGRCPBG-XZOQPEGZSA-N 433.640 5.790 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(N4CCCC4=O)c3)cc2)C1 260733067 DWIPCJOVSVZERK-RBUKOAKNSA-N 436.625 5.097 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)cc2)cc1 408963501 FDASHOGYCPHFBO-JCMHNJIXSA-N 436.433 5.923 10 40 IKCB O=C(NN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S)c1cccs1 409329531 FGXSYFZGZOVLNR-DEDYPNTBSA-N 446.578 5.601 10 40 IKCB O=C(O)CCC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccccc1C(F)(F)F 2567079 CKGYRCNLCJJLHU-UHFFFAOYSA-O 441.882 5.983 10 40 IKCB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O 12624832 ZRQGMCHJCFPCCR-NDEPHWFRSA-N 446.458 5.243 10 40 IKCB Cc1c(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 13591032 DGGUXMVMMCUGOA-XSFVSMFZSA-N 449.601 5.014 10 40 IKCB C[C@H](NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103093759 ZUDWFZUHOPRPLS-ZZTBIMCGSA-N 448.567 5.266 10 40 IKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1ccc(Br)cc1 408752797 CIXUOYDXJSZKMN-XDHOZWIPSA-N 447.288 5.012 10 40 IKCB CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)O2)cc1 408756180 ODHQBXCXRCYZNR-JWGURIENSA-N 428.532 5.540 10 40 IKCB COc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)N1c1cccc(C)c1 408846370 SBWRWFSMMCUPJW-RCCKNPSSSA-N 447.332 5.601 10 40 IKCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)c1 8914315 UVWPGNLBZXHGLX-LDADJPATSA-N 438.892 5.899 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1 33417756 MLNPKXOTFKYHIQ-ZQCYNNBZSA-N 441.560 5.417 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 36040374 FSJSKGPHUKTDIJ-NVGCLXPQSA-N 438.243 5.993 10 40 IKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(Cl)cc12 100422986 UEOVVQCHGIPLAJ-BKUYFWCQSA-N 449.967 5.260 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 222788968 UCHRVOURDFNBRV-RTWAWAEBSA-N 445.419 5.788 10 40 IKCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1 223104922 VKMBHDFUDVGLEW-LOSJGSFVSA-N 445.636 5.498 10 40 IKCB CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)c1 408739394 WDOJZVTUZBAVQD-CJLVFECKSA-N 425.484 5.343 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409051587 DFCUMANDDKBFFM-XYGWBWBKSA-N 440.543 5.588 10 40 IKCB O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1Cc1ccccc1 409342517 FLZVOSLQMLGTJT-CAOOACKPSA-N 429.364 5.332 10 40 IKCB CCC(=O)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 856817 MGXGZBQGUWYKSQ-AOYPEHQESA-N 436.640 5.870 10 40 IKCB biogenic C/C(NCCc1c[nH]c2ccc(C)cc12)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17098998 DKISXAXGMKGWKZ-QOMWVZHYSA-N 434.543 5.334 10 40 IKCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1Cl 33616608 MHCWSDKXYMVVIY-SFQUDFHCSA-N 436.294 6.163 10 40 IKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Br)cc2)N1c1ccccc1 59229131 FWDPPAXXQWSTIB-XDHOZWIPSA-N 447.288 5.012 10 40 IKCB C[C@H](NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 104542823 ZUDWFZUHOPRPLS-QUZUPSQKSA-N 448.567 5.266 10 40 IKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1-c1ccccc1 224621846 YCXMRMOPGVBIKO-RPWUZVMVSA-N 426.545 5.063 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC(C)=O 408741275 HXLUVLPXXSWRGM-RQZCQDPDSA-N 443.293 5.063 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(Cl)cc2)c1 408764867 NNCCCPQDURXNRQ-CIAFOILYSA-N 441.745 6.790 10 40 IKCB COc1cccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)c1OC 408879216 BINQNCWLIJUMKQ-ITNZAGEZSA-N 437.495 5.306 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccccc1 8722078 GHQKPAPZCLNLMS-LTGZKZEYSA-N 443.590 5.154 10 40 IKCB CC(C)(C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14007285 QYUMVFILILTGIP-QJOMJCCJSA-N 441.487 6.219 10 40 IKCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1Cl 16195803 NMYQXGXPQPSFCS-NVNXTCNLSA-N 426.346 5.070 10 40 IKCB CCOc1cccc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)c1 33420763 LBKMANUARCRHEH-KQWNVCNZSA-N 442.471 5.171 10 40 IKCB COc1ccccc1/C=C1/SC(=S)N(CCCCCCCCCCC(=O)O)C1=O 35038881 RNKYEPNINMTQDA-KNTRCKAVSA-N 435.611 5.492 10 40 IKCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 96669697 ZTTDXFMTSHJBGK-DEDYPNTBSA-N 441.484 5.419 10 40 IKCB COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CN=[N+]=[N-])[C@H]3c2ccc(OC)cc2)cc1 97965268 AZWAPAPUXARMKU-SZORDPIYSA-N 431.496 5.137 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 208468652 MWJRFEFQQVXNJU-JAIQZWGSSA-N 441.021 6.378 10 40 IKCB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1 408641093 JQJQASUWGCQJJL-NRFANRHFSA-N 436.511 5.932 10 40 IKCB O=C1/C(=C\c2cc(Cl)c(O)c(Br)c2)SC(=S)N1c1ccccc1 408900929 ADZUQIYABMZUMB-MDWZMJQESA-N 426.744 5.214 10 40 IKCB CSc1cccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)c1 409341391 BIQDGCZPCDZXID-AUWJEWJLSA-N 428.387 5.827 10 40 IKCB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2n1 1403921 BQLJPYOBRIVFNA-UHFFFAOYSA-N 449.923 6.094 10 40 IKCB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1ccc(C(=O)O)o1 1902729 GGELPBZBQNHTLN-UHFFFAOYSA-N 446.499 6.453 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1 8821696 BVYFHJFPHHUKAY-HAHDFKILSA-N 448.975 6.564 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 9307801 SCDAIMJWFJPVAK-FKSIKXIZSA-N 447.608 5.883 10 40 IKCB CC(C)(C)c1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc(C(C)(C)C)c1O 13547896 PNKNECXZVRKTSN-VBKFSLOCSA-N 435.611 5.053 10 40 IKCB O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 19927871 ISGZRTUELPVLAY-QNGOZBTKSA-N 448.979 5.649 10 40 IKCB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc2ccccc2c1 33616083 YSUGJUPTBAILIY-OEAKJJBVSA-N 439.471 5.343 10 40 IKCB O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 84504618 OZQQBWVOVMCQKT-IZILLXMLSA-N 439.861 5.199 10 40 IKCB CC(C)n1nc(O)c2c(-c3ccc(O)c(Cl)c3)c3oc4c(O)c(O)ccc4c3nc21 95479031 IXZHCPNWQZYIOE-UHFFFAOYSA-N 425.828 5.054 10 40 IKCB CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)sc2c1CCCC2 102974892 SYIUCJNOEWPMIA-AQTBWJFISA-N 437.565 5.139 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4CC)S2)cc1 208502143 SIHOYRHJMHDTHN-HAHDFKILSA-N 447.604 6.190 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc2ccccc12 222610649 LZXJBZYRQQTJJP-LGIRGXTLSA-N 438.600 6.232 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 222788642 FFAQNJRLTQQQRZ-SFTDATJTSA-N 445.419 5.788 10 40 IKCB COc1ccc2cc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c(Cl)nc2c1 256055566 LNOUNNCFAWFPAW-MFOYZWKCSA-N 428.922 5.008 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1OC 408767077 VLSSLBDXAXNNPK-XSFVSMFZSA-N 431.919 6.137 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)cc1 408842251 JPOSIZZGAPBPNY-KGENOOAVSA-N 433.305 5.298 10 40 IKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 409171183 YONMCAHOFYTYER-OHUGHZGNSA-N 448.975 7.367 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1C 409192007 SEOVXZQNIRASOV-LPYMAVHISA-N 436.964 6.605 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)c(C)c1 9188597 SDNVHGCDNAFXAS-HAHDFKILSA-N 431.582 6.288 10 40 IKCB O=S(=O)(O)c1ccc(/N=N/c2cc(Oc3ncc(Cl)cc3Cl)ccc2O)cc1 13764613 QLHWIBPKQCTJTH-QURGRASLSA-N 440.264 5.548 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(C)cc1 40006128 RMGBZAKBIPEYRU-XKZIYDEJSA-N 441.618 5.830 10 40 IKCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085649 VMXHISGFNNOKIR-UHFFFAOYSA-N 430.371 5.372 10 40 IKCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2[C@H](C)CC1(C)C 208313648 YLEJFEVQMHULSS-SDLXJUDFSA-N 445.563 5.082 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 208666599 SXVFKHYHPMWHJY-UCQKPKSFSA-N 443.959 6.425 10 40 IKCB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 222629485 DEZNGKKCSTVOCW-UHFFFAOYSA-N 448.438 5.368 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O 223558596 PCMATBAKCDYIGK-SXZORUHJSA-N 445.563 5.162 10 40 IKCB COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225016895 FBGQTGUQRHJQBS-RPBOFIJWSA-N 446.620 5.413 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccncc1 409335127 YWYJEXBRNYVXKI-HMAPJEAMSA-N 448.569 5.383 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC 409339418 VGPIXJLWDKXXCP-DEDYPNTBSA-N 448.009 6.323 10 40 IKCB CN(C)c1ccc([C@@H](N2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 4575594 UKRLTVSHGLFKQM-QCDSWUKFSA-N 425.557 5.327 10 40 IKCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(C)c(C)c2)cc1 19634211 JAVNGKAZAKWBAH-PLRJNAJWSA-N 441.531 5.458 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3cc(Cl)cc(Cl)c3)C(=O)N=C2S1 41083207 GLVIPDDNUVZNQL-ADWUKMOESA-N 432.336 5.059 10 40 IKCB Oc1ccc2c(c1)oc1c(-c3ccc(O)c(O)c3)c3c(O)nn(C4CCCCCC4)c3nc12 79497668 WKOJGDBBKDMQJW-UHFFFAOYSA-N 445.475 5.715 10 40 IKCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408766191 PNQJODJBTXTTQZ-KGENOOAVSA-N 434.854 5.100 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)c(C)c1 408877412 RLVJMHAKRUYRBF-RCCKNPSSSA-N 444.918 5.214 10 40 IKCB COc1cc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 409170108 SZEIUUVBQHVDJL-CKNLXJGOSA-N 444.325 5.299 10 40 IKCB O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(Br)cc1 409348767 PJPXTDZEYWEWEC-NTEUORMPSA-N 444.297 5.874 10 40 IKCB Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1-c1ccc(F)cc1 703690 LXXDVDBWAMBUCX-UHFFFAOYSA-N 437.565 5.702 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 2801050 WBIBGHFSOVMRPJ-JJIBRWJFSA-N 441.531 5.103 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 8984811 RKXSKSNOVJJCRZ-VAXYQBTPSA-N 449.555 5.433 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3CC)C2=O)cc1OC 35039100 BLAHNOUAQPZYDY-RCCKNPSSSA-N 427.591 5.842 10 40 IKCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(O)ccc12 85874628 HEEJZIZZTPCGPK-PIIWDFAUSA-N 431.576 5.798 10 40 IKCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 102495118 VPKSFORKYBGSFO-WOJGMQOQSA-N 441.270 5.758 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc2ccccc12 103919074 NTJRZJCRCCHBDF-KQWNVCNZSA-N 426.545 6.338 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(F)cc2)cc1 408760017 PZJJYNRFCVSWSX-CIAFOILYSA-N 425.290 6.275 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 9309623 WUOPCOWHELYFCD-SOPDNMILSA-N 425.945 5.167 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 9345388 FUZVLPXKNCYQGI-SMKDVUIYSA-N 445.592 5.353 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4CC)S2)cc1 208502085 ACUURASOAXMCOB-HAHDFKILSA-N 431.605 6.353 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 222770578 JBLBHNZIQDQURV-RTWAWAEBSA-N 444.526 5.500 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3S)C2=O)cc1OC 408756357 ZFKQBHRARNJXEF-QGOAFFKASA-N 449.959 6.117 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(OCC)cc3)C2=O)cc1 408840257 CYJZZMUDODIGMP-HKOYGPOVSA-N 442.515 5.327 10 40 IKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(Br)c1 408948124 OUSRBJXNOZEYDB-UHFFFAOYSA-N 449.142 5.687 10 40 IKCB Cc1ccc(Cl)cc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 408987394 XHUNPLULZLQBSH-WOJGMQOQSA-N 440.757 7.427 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409058543 YHRGGABDUDKQPP-KQWNVCNZSA-N 432.564 5.408 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c(C)c1 409142481 LONRBDWUXSVNGN-LDADJPATSA-N 436.920 5.048 10 40 IKCB Cc1cccc(COc2ccccc2C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)c1 409161176 KKUPBCKFLVBQKP-XMMPIXPASA-N 447.625 5.588 10 40 IKCB O=C1/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC(=S)N1c1ccccc1 409232463 IDEYUSICTYNTTR-HZHRSRAPSA-N 444.556 6.235 10 40 IKCB CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 6135784 YPLGYLCHUVSZPS-IZHYLOQSSA-N 432.436 5.116 10 40 IKCB CCc1ccc(/C=C2\SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1 9293249 WJPVMENBCJXXQF-MOHJPFBDSA-N 427.573 5.195 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OCc1ccccc1 16227614 CGGUKKXDATYIPW-HAHDFKILSA-N 447.581 5.676 10 40 IKCB O=C1c2ccccc2N[C@H](c2ccc(N3CCCC3)cc2)N1c1cccc(C(F)(F)F)c1 16524319 UYHIYUSIQTXDHW-QHCPKHFHSA-N 437.465 6.077 10 40 IKCB NC(=S)n1nc(-c2ccccc2)c(/N=N\c2ccccc2[N+](=O)[O-])c1-c1ccccc1 17129912 MSPODEORBPMUMC-IZHYLOQSSA-N 428.477 5.632 10 40 IKCB CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 33436718 LCQHWGGRGPRITR-QNGOZBTKSA-N 447.541 5.769 10 40 IKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1 58851289 NLHPXZJMJCCEKU-GPHJXTMHSA-N 430.118 7.035 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 144206885 KXVYXQLNBRKORY-KQWNVCNZSA-N 430.573 6.633 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21 223495588 KJRPABGUPCLSIR-XKZIYDEJSA-N 449.982 5.843 10 40 IKCB COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)O2)cc1 408742270 OBSNBGPEAWEHNL-DEDYPNTBSA-N 432.447 5.403 10 40 IKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Br)N1c1ccc(F)cc1 408762330 OCNQQGHQNHWNLY-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1C[C@@H]1CCCO1 409080421 DEPNSSZNLANKDC-HAKPAVFJSA-N 439.480 5.346 10 40 IKCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)c1 409107705 SOSJRFUXOUQCPK-KGENOOAVSA-N 447.537 5.370 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 3768798 HJEIVXUIGFWKHQ-SFQUDFHCSA-N 434.380 5.644 10 40 IKCB O=C(O)c1cc(-c2ccc(/C=C3\NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 8430307 FDQRXRMWZWZIDZ-YVLHZVERSA-N 443.242 5.049 10 40 IKCB Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc(C)cc3C)c3ccccc3c2O)cc1 8439134 LIZVQDCTJAFNRR-UHFFFAOYSA-N 449.597 6.423 10 40 IKCB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccc(N(C)C)cc4)C3)c2C)cc1Cl 8624009 YHRLGJAHMJBNBH-FGZHOGPDSA-N 435.015 5.719 10 40 IKCB biogenic,in-vitro CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 9191679 JYEHSUAJMYVHDO-PWSGBSGUSA-N 439.972 5.475 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1C 9232739 JMLJBBIYAAHPQU-UDWIEESQSA-N 436.514 5.877 10 40 IKCB CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1 20059381 ZESJIUXBTHTUOH-XIEYBQDHSA-N 436.555 6.511 10 40 IKCB COc1cc(O)c(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2oc(-c3ccccc3)cc(=O)c12 36552033 KBQVRFHSKXFXPL-DNOBIOAJSA-N 433.548 5.575 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1C 58846513 LTKZAWYPDWVCRJ-UZINWLIJSA-N 448.563 6.070 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 222701073 QSCSLAKOKQHGPC-JHMXWDHMSA-N 430.621 6.085 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1 222920048 WLAWGPRPRFPDFT-PKTZIBPZSA-N 439.028 5.771 10 40 IKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(ccc(Cl)c4Cl)[C@@H]4C=CC[C@@H]43)cc2)cc1 408736654 ZAJFGPUVHOBDRZ-CZSZKKDXSA-N 436.382 7.707 10 40 IKCB CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12 409049468 QZXYZKSZHRHCFD-XNTDXEJSSA-N 446.375 5.740 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1 409201190 KHQJWBWJUQLGDG-NDENLUEZSA-N 436.514 5.877 10 40 IKCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 8821863 ONPLYDWYQKOLKS-PXLXIMEGSA-N 447.516 6.280 10 40 IKCB O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 59961082 RSCSUIANLYOEBB-GLDPYIMESA-N 436.964 5.967 10 40 IKCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225017148 WDUMEKQCMWLQMW-DQEYMECFSA-N 446.620 5.413 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2ccc(Br)cc2)C1=O 408765691 XFDDSTBHWFJPRF-RCCKNPSSSA-N 447.332 5.601 10 40 IKCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1 408996190 ORLOLXLSRHLPGT-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 640826 JWKIAHBGGPILMU-QGOAFFKASA-N 439.298 5.034 10 40 IKCB COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 1105228 ODBXEIKQHOKBIU-UDWIEESQSA-N 428.941 5.185 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(O)=NC2=S)cc1 1272780 AQRHOGCGAPAWFD-HYARGMPZSA-N 445.544 5.083 10 40 IKCB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2145465 KFIAFFKOSKETKY-UHFFFAOYSA-N 443.355 5.280 10 40 IKCB Cc1ccc(NC(=O)c2cc(/N=N/c3ccc(O)cc3Cl)c3ccccc3c2O)cc1 4113467 OVKXLXRYIMDVQQ-BYYHNAKLSA-N 431.879 6.881 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Br)cc1 9233465 RKRIZGZWVBPFDI-CPNJWEJPSA-N 443.366 5.286 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1 9291108 TZFSSCGYYQCYEZ-ONVPTEKUSA-N 425.945 5.085 10 40 IKCB CCc1ccc(/C=C2\SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1 9293660 WSXMYTJMOSVKFV-STZFKDTASA-N 425.985 5.003 10 40 IKCB Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1 19792863 QLKKWKAXICFEPN-UHFFFAOYSA-N 447.453 5.850 10 40 IKCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(Cl)c(C)c2)SC1=S 33430081 RQVPMIJSLIUSDS-ZHZULCJRSA-N 448.009 5.717 10 40 IKCB Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)c3c2C(=O)[C@@H]2C=CC=C[C@H]2C3=O)cc1C 68601175 BPFNGJOREWNVEV-DNQXCXABSA-N 448.566 7.145 10 40 IKCB biogenic Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223094690 ZLIXWXLEUUZJDC-UIOOFZCWSA-N 444.648 6.103 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(C)c1 408901975 JMFSERDDWXNDBT-LPYMAVHISA-N 446.934 6.042 10 40 IKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1 409151553 HQZOLZFSHSCHDU-WFXMLNOXSA-N 429.345 6.415 10 40 IKCB Brc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 409176248 ZEEWUFXYZKASPQ-SLSDLSHTSA-N 448.429 7.568 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c1 8872376 UZQWPZFEHFJPQY-YBFXNURJSA-N 446.380 6.968 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1 8983517 CAKZQSLDTPKESL-AQTBWJFISA-N 449.981 5.028 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1ccc(Cl)cc1 12629232 FKEMCTMFPUHMPJ-WQRHYEAKSA-N 432.353 6.659 10 40 IKCB O=C1c2ccccc2C(=O)c2cc(Oc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc21 25558223 NNAJBFBCXBFPTD-UHFFFAOYSA-N 430.415 5.030 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)S2)cc1 208444596 UUMZLRUASCIOAN-HMAPJEAMSA-N 433.577 5.799 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(C)c(C)c4)=NC3=O)cc2C(C)=CC1(C)C 208525852 LTOWGQWVMCNICY-OYKKKHCWSA-N 445.632 6.716 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 408840475 BZQYFWZAWRPBRZ-XSFVSMFZSA-N 433.851 5.091 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 409001663 QBWTUBQHYOWBRU-LPYMAVHISA-N 449.352 5.117 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409059872 OXQBRZRRQSXASQ-RGEXLXHISA-N 448.469 5.250 10 40 IKCB COc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@H]3C=CC[C@H]32)cc(Br)c1OC 409150748 DJYHRQDVYMGMAQ-MDOVXXIYSA-N 444.325 5.299 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1Br 409329933 IEJINFKGUTZKPF-SFQUDFHCSA-N 440.428 5.772 10 40 IKCB Cc1ccc(-n2c(SCC(=O)Nc3ccc(N)cc3)nnc2-c2ccc(Cl)cc2)cc1 930575 IHJCXXHUULCMPX-UHFFFAOYSA-N 449.967 5.209 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1C1c2ccccc2Oc2ccccc21 4769103 FRULEYONJPGWSZ-MOSHPQCFSA-N 435.957 6.437 10 40 IKCB CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2c(Cl)cc(Cl)cc12 4886746 BFQDUUJEGDCHOS-AWEZNQCLSA-N 438.830 7.271 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCC[C@@H](C)C2)c1O 11869508 NYPMOHTYSGSIJQ-MRXNPFEDSA-N 445.563 5.155 10 40 IKCB biogenic O=C(NCCC(c1ccccc1)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 32937671 CDBCUOMMAOSDFG-VWLOTQADSA-N 444.575 5.305 10 40 IKCB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1C 260740033 RVUBLMRHXMVTPT-WMZOPIPTSA-N 425.598 5.066 10 40 IKCB Cc1sc2nc(-c3cc(C)n(-c4ccc(Br)cc4)c3C)nc(O)c2c1C 408735521 UGNVOCGGEMOZHE-UHFFFAOYSA-N 428.355 5.851 10 40 IKCB O=C1/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccccc1 409349029 UFQRYHMATHPCGF-MHWRWJLKSA-N 443.912 5.467 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccn1)N1CCCC1)c(O)c1ccccc12 1448564 BSATVFADDRSLKD-QHCPKHFHSA-N 430.504 5.357 10 40 IKCB CC(/C=C1\SC(=S)N(CCCC(=O)NC2CCCCC2)C1=O)=C\c1ccccc1 8820577 QAFZHHXBCNEKDU-KBWOEQRPSA-N 428.623 5.063 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccccc1F 9310741 WCQMCXWLAAGMBQ-WOJGMQOQSA-N 426.450 5.400 10 40 IKCB Cc1cc(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)ccc1Cl 20059379 JBRGMNYWOMHUDW-PXLXIMEGSA-N 428.919 6.175 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1Cl 100525048 LLDJCEOOASJTFF-PZPYUUCDSA-N 444.347 6.300 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225014347 CKVJZCVOSKYVBS-DQEYMECFSA-N 430.621 5.713 10 40 IKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1Cl 408940625 CQRINHYRUZDMFX-UHFFFAOYSA-N 439.136 6.231 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc([N+](=O)[O-])cc1 409197354 CMNCVIHZWBLEFV-KOEQRZSOSA-N 435.483 6.221 10 40 IKCB O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C\c1ccccc1Cl 2397160 QDXBZEHKIIYJNP-JWGURIENSA-N 433.964 5.286 10 40 IKCB O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O 13306711 JLHCSKAWTLMLIG-QVIHXGFCSA-N 446.466 6.155 10 40 IKCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 13770769 MQWRIIKFOSWOKJ-PMOKRTJVSA-N 426.929 5.655 10 40 IKCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=N)N12 13810828 WTYPWUUMPYUVKE-JHBSOEOQSA-N 431.348 5.568 10 40 IKCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 223031292 MRZKFMSAGUXAQE-CYFREDJKSA-N 429.004 5.920 10 40 IKCB COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408902751 QYYOGBWWPLFNFS-NTEUORMPSA-N 440.771 5.517 10 40 IKCB Cc1c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F 409236289 DFACSIUVWLVQLI-BUVRLJJBSA-N 439.490 5.230 10 40 IKCB CC(C)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409328168 PPSFVIQDCSCHRK-VCHYOVAHSA-N 437.508 6.146 10 40 IKCB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1Cl 409351281 SZQSQKPWXCSXSV-WOJGMQOQSA-N 447.965 5.832 10 40 IKCB O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C1CCCCC1 2277223 VXFMJLQHIBYQSU-WOJGMQOQSA-N 438.401 6.787 10 40 IKCB CCOC(/C=C1\Sc2c(ccc3c2CCCC3)N1CC)=C1/SC(=S)N(CC)C1=O 57267005 BQFIVDFIBTUPJP-ULPIPZJYSA-N 446.663 5.467 10 40 IKCB O=C1c2ccccc2-c2onc3c(NC4CCCCC4)cc(Nc4ccc(Cl)cc4)c1c23 100713574 BAVZTJWIFMRVIX-UHFFFAOYSA-N 443.934 7.181 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc4ccccc4c3)C2=O)cc1 408762315 DPCHWLDCIQCVRE-KQWNVCNZSA-N 437.926 6.973 10 40 IKCB CCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 1795119 MPSWBLQRXGEBGO-MOSHPQCFSA-N 448.009 5.929 10 40 IKCB O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1cccc(Br)c1 9233004 PJIDYQRAUUZFAN-RIYZIHGNSA-N 445.190 6.162 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 26687741 YPKJVLJNRVQCKP-DEDYPNTBSA-N 441.961 6.405 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 222866457 LHDLFFPUQOYBFD-YADHBBJMSA-N 441.000 5.231 10 40 IKCB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1C 224285437 HKKLHOSDHKERKM-IZZNHLLZSA-N 438.600 5.975 10 40 IKCB Cc1ccc(C2=C/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C(=O)O2)cc1C 409053504 YXZWWERTGAIAKK-KOEQRZSOSA-N 432.519 7.017 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409126026 LBWSFUDUHBCSOO-SRZZPIQSSA-N 446.975 6.503 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC 409351983 VHOOHVIFLJMHDW-KGENOOAVSA-N 427.591 5.897 10 40 IKCB COc1ccccc1[C@@]1(CCN(Cc2ccc(N(C)C)cc2)C(C)=O)CCOC(C)(C)C1 856827 BCIULTFOTMBIAA-MHZLTWQESA-N 438.612 5.027 10 40 IKCB biogenic COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3cc(C)c4ccccc4n3)c2C)cc1 1465391 CMEBPANHUKHGPL-UHFFFAOYSA-N 444.556 5.712 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CC=C[C@@H]21 3636270 ITPSVLQAOTZWJK-KEYYUXOJSA-N 438.243 5.993 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1Br 8723291 YNFDKALQKRFRLI-AQTBWJFISA-N 448.316 5.635 10 40 IKCB CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5o4)c(=O)oc23)C1 8757636 ZQZBEZCZTRKITD-XGCWNURASA-N 444.531 5.707 10 40 IKCB COc1ccc(/C=C\C=C2\C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C(C)(C)C)cc1 34860739 WGUNSZPAACSIAQ-VZNCOVNJSA-N 446.444 5.949 10 40 IKCB COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)nc12 54360933 DXAQEKUPXSVYGD-MFOYZWKCSA-N 428.922 5.008 10 40 IKCB CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 80348243 ZZFVIIDDQLGXSR-ZBYPTGCXSA-N 437.613 5.512 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)cc2C)C1=O 409346956 OXJMUJFYEPRKTH-LFVJCYFKSA-N 447.625 7.041 10 40 IKCB CCCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O 6077831 QDMAYSQAOKKLKK-LJQANCHMSA-N 437.754 6.296 10 40 IKCB CN(C)c1ccc(/C=C/c2nc3c(c(-c4ccccc4)c2C(=O)O)C(=O)c2ccccc2-3)cc1 8430942 KDTRZCKYGUSCNH-SAPNQHFASA-N 446.506 5.895 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1 8450580 WANPEWZRJXNQHE-HRXHUYTNSA-N 427.533 5.109 10 40 IKCB CCCCCN1/C(=C/c2ccc3cc(NC(C)=O)ccc3[n+]2CC)Sc2ccccc21 13452295 SNBNUWJQBJCXDR-UHFFFAOYSA-O 432.613 6.207 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccccc1 15016352 JAEBVGKDOLRRIK-FYJGNVAPSA-N 432.903 6.299 10 40 IKCB Cc1cc(O)c(-n2c(C)c(C)c3ccccc32)cc1NS(=O)(=O)c1ccc(Cl)cc1 16779655 WWCDSKSBUBMTAR-UHFFFAOYSA-N 440.952 5.716 10 40 IKCB CCn1c2ccccc2c2cc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)ccc21 35268935 FYCPTSJMLQEHCA-UHFFFAOYSA-N 434.952 6.075 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 105971675 KMMVCZHPQBONOG-MTDXEUNCSA-N 441.534 6.649 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(Cl)cc2)cc1 408758096 GNJCHDUIVGTNCL-PXLXIMEGSA-N 446.890 5.271 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)=O 409345360 LIUMXWCIAAYOKI-ZDLGFXPLSA-N 433.938 5.070 10 40 IKCB Cc1cc(C(=O)CSc2nc(C(C)C)n[nH]2)c(C)n1-c1ccc(Br)cc1 2644471 AXHMCQYZQJCGIJ-UHFFFAOYSA-N 433.375 5.073 10 40 IKCB c1ccc(/N=N/Nc2nc(N/N=N/c3ccccc3)nc(N/N=N/c3ccccc3)n2)cc1 4551921 OMEGFJMIYUEXOO-UHFFFAOYSA-N 438.459 6.204 10 40 IKCB O=C1c2ccccc2C(=O)C1(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 6446095 ZQBDDHFUMYSWGB-UHFFFAOYSA-N 439.898 6.519 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 13895693 NPRIYZUQZZOMRN-LICLKQGHSA-N 437.945 5.288 10 40 IKCB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219688517 YDXCGXIPHYGFRX-KURKYZTESA-N 445.401 5.330 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(O)cc1 223098621 DUJQZZHGHMYLLC-JWQCQUIFSA-N 446.620 5.500 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21 260917915 JWLZFVIWOXUKMZ-BJKOFHAPSA-N 432.637 5.628 10 40 IKCB CC(C)(C)c1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(C(C)(C)C)c1O 408526449 BLNIRUMLTFZRBM-XDHOZWIPSA-N 443.609 6.532 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)c(C)c1 409145989 SVJMSKIZABRWCE-RCCKNPSSSA-N 444.581 5.286 10 40 IKCB CC(=O)[C@@H](CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)Nc1ccc(Cl)cc1 2638985 FXGAZMXSOFDAFH-JOCHJYFZSA-N 440.902 5.303 10 40 IKCB CCN(CC)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 12560571 HYUGIVWIBGLFOW-RSXGOPAZSA-N 431.967 6.429 10 40 IKCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCC4)c2C)cc1 13150487 WZOMQLAMXRCSFX-UHFFFAOYSA-N 438.527 5.479 10 40 IKCB Cc1ccccc1N1C(=O)N=C(O)/C(=C\c2cc(Br)ccc2OC(C)C)C1=O 59860493 UHKFNGKBAJBJJF-LFIBNONCSA-N 443.297 5.051 10 40 IKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(Cl)c(C(=O)OC(C)C)c1 101112775 SALDKHIGYLSUJX-WOJGMQOQSA-N 432.307 5.277 10 40 IKCB O=C1/C(=C\C(Br)=C/c2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 208634754 NBRYJEJUDFTONP-WFVPKAAFSA-N 447.335 5.279 10 40 IKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCCN1C(=O)OCc1ccccc1 213878706 QZYBYGKOQJQODW-SNSKHAEWSA-N 428.492 5.842 10 40 IKCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)cc1 409198270 BJAFNOPRVJQDNU-ZXVVBBHZSA-N 434.539 6.712 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 409342652 CBLNXYZREWZYGU-HCZVKUGISA-N 433.982 5.932 10 40 IKCB COc1cc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(OC)c1OC 1096147 MUDMZZZWAQDKBZ-AVCJSFLBSA-N 440.754 6.499 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1 2176358 ZPXIVMYZHGKVFE-JJIBRWJFSA-N 440.568 5.867 10 40 IKCB COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 2381790 YAYAYCIALINEPN-JXAWBTAJSA-N 446.619 5.157 10 40 IKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccc(Cl)cc1 8712119 ISOJALHPPRBTHR-HMAPJEAMSA-N 431.969 7.052 10 40 IKCB Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)n1-c1ccccn1 9139643 GGZYOUJRIFPGGW-UHFFFAOYSA-N 449.605 5.043 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1C 9309136 ZPRFLMFTQFYEDS-RLRFCYPDSA-N 433.581 5.376 10 40 IKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)C(O)=NC(=S)N1c1cccc(Cl)c1 33366154 DLRDONRBKVHLJZ-HYARGMPZSA-N 442.927 6.318 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 144207285 QBQFZWAIISFDNT-JAIQZWGSSA-N 443.355 6.642 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 223552000 WENYSGVWYMKCIC-OVBDPADQSA-N 445.563 5.162 10 40 IKCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 409328989 BRZZXNJVMDXBTH-SXGWCWSVSA-N 438.343 5.393 10 40 IKCB COc1ccc2nc(Cl)c(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)cc2c1 13692096 JUHXEUQKGIMJFQ-LICLKQGHSA-N 428.922 5.008 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 14133207 QQTVAZWKVNNYGR-XSFVSMFZSA-N 448.931 5.466 10 40 IKCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1 16283242 OSAGDZOYNQGRCV-NDENLUEZSA-N 436.514 5.565 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 35039118 BJQYLJJSQWYUQD-KGENOOAVSA-N 427.591 5.897 10 40 IKCB O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58847182 ASNFFOLFGFWWHV-XLNZFTOWSA-N 436.964 5.967 10 40 IKCB O=C(Nc1ccc(/N=N\c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 100499944 RSJQWCMCXATOCP-QPLCGJKRSA-N 434.521 5.139 10 40 IKCB CCCN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S 113836491 AHXONXDBCQQWAY-UDWIEESQSA-N 437.546 5.209 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc21 208454588 QOLOLRHEINXGAN-MTJSOVHGSA-N 437.996 6.363 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 219129802 VITHEJRDGYQZMJ-HSZRJFAPSA-N 426.604 6.322 10 40 IKCB Cc1cc(CN(C(=O)c2ccc3c(c2)nc(Cl)n3C)C(C)C)c(C)n1-c1ccccc1 222556264 JHEVDVKFYJVNCS-UHFFFAOYSA-N 434.971 5.685 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccn1 224392279 NFUUQZXLZJMQBZ-ZEQRLZLVSA-N 443.551 5.200 10 40 IKCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 409134233 OEMFUGDKJRHEKK-BOPFTXTBSA-N 443.311 5.654 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 409164433 IKHIGQBCSFOTBY-VGTOOOLASA-N 428.679 6.948 10 40 IKCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c1 409339467 ILOSJZOVDGYQCV-WOJGMQOQSA-N 447.965 5.832 10 40 IKCB Cc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1 1273320 IZLZPVJVWFVUOG-FYJGNVAPSA-N 449.963 5.415 10 40 IKCB O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)NC12CC3CC(CC(C3)C1)C2 6143086 QQTSXFHKMVZRDQ-UDWIEESQSA-N 440.634 5.389 10 40 IKCB Cc1ccc(C)n1-c1ccsc1-c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 8888386 JXVJYDSDRNPPJU-UHFFFAOYSA-N 438.478 6.551 10 40 IKCB COc1ccccc1-c1coc2c(CN3CCCC[C@H]3c3cccnc3)c(O)ccc2c1=O 20763349 FFMSSMKSIPJQKG-QHCPKHFHSA-N 442.515 5.296 10 40 IKCB biogenic O=C1N=C(O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1CCc1ccccc1 38177950 CXCSQLNIKOZGBY-XLNRJJMWSA-N 435.483 5.380 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)C1 44854965 YPSJRFBGBPZYTA-LEWJYISDSA-N 437.603 5.151 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 408768737 IRFHHEJPPYQDSV-IGSWSUAKSA-N 437.996 5.910 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c([N+](=O)[O-])cc(C)c(C)c2[C@H]2C=CC[C@@H]21 409172135 IILZURCHKMRPLY-AUSJPIAWSA-N 429.314 5.809 10 40 IKCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc4ccccc34)C2=O)cc1 2365434 LEKTUPPNZNUPTC-RCCKNPSSSA-N 432.570 5.378 10 40 IKCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccccc3Cl)c2)SC1=S 2873994 SVQVPTIJKNTGFA-RGEXLXHISA-N 433.982 5.409 10 40 IKCB CCCOC(=O)c1cc(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1Cl 8430143 SOYYBYPSEQRXKI-PDGQHHTCSA-N 432.307 5.279 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 9159641 KKOAEZNAMVISNT-QEEMYTIHSA-N 439.972 5.331 10 40 IKCB O=C(O)c1cc(Br)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 32121309 JYZXGHMEPFMIFM-VBQJREDUSA-N 449.142 5.736 10 40 IKCB O=[N+]([O-])c1ccccc1-c1ccc(/N=[N+](/[O-])c2ccc(-c3ccccc3[N+](=O)[O-])cc2)cc1 100473543 QRQCDJBAAHDZMO-OCEACIFDSA-N 440.415 6.763 10 40 IKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1 112295820 MRGOHDCOEODHKQ-BWAHOGKJSA-N 445.950 7.021 10 40 IKCB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C 223297150 VKCKBFQHIQTPTI-UYAOXDASSA-N 444.641 5.403 10 40 IKCB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 408631983 CBNYUVJWPCYTGP-AQTBWJFISA-N 429.929 5.454 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408903430 XSFQHBAYSRZIMW-QGOAFFKASA-N 447.423 5.701 10 40 IKCB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 9288551 GWGICVOTBQOJDA-XMMPIXPASA-N 441.510 5.169 10 40 IKCB O=C(NN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)c1ccccc1 9698896 JSAKOWKMIPNSBF-JCMHNJIXSA-N 440.549 5.539 10 40 IKCB CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 13117249 FYULRXGSMAAGBI-UHFFFAOYSA-N 427.501 5.896 10 40 IKCB Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c1 14479981 JHILEKOAKBENEZ-QHWMMSMNSA-N 444.600 6.239 10 40 IKCB Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 17265396 DGBYBHFQPFLNJH-KNQAVFIVSA-N 445.733 6.595 10 40 IKCB O=C1C(=Cc2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 59391350 KSQIUYNTJWNHLW-UHFFFAOYSA-N 447.288 5.033 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C 222703058 JDQONKJAVOYORL-QQSVUBKYSA-N 444.648 6.339 10 40 IKCB CC(C)Oc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 408736104 FLPZCUGFXYONJY-LQWHRVPQSA-N 431.317 5.905 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1 408739743 FDZGBWFFASLKRI-BOPFTXTBSA-N 441.270 5.228 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 408781680 FAIYRCYKQKUZFX-RWTNITNYSA-N 448.548 5.164 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4F)NC3=O)c2C)cc1Cl 408804309 XHQNOQWDACPYDO-UHFFFAOYSA-N 440.951 5.958 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1 409002272 SSCUKVNVYLFDSC-XQNSMLJCSA-N 432.907 5.582 10 40 IKCB COc1cccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 9011886 BEXUDILTPVQHNU-MTJSOVHGSA-N 449.894 5.263 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3ccccc3OCc3ccccc3Cl)C(=O)N=C2S1 9310053 HOJCJOBOSVMXBO-XYSCVJGBSA-N 438.940 5.338 10 40 IKCB O=S(=O)(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1F 13070481 CHLWQRYHPDRQJU-UHFFFAOYSA-N 444.940 6.070 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C(=O)N=C2S1 13942851 ISSZURQCKOBWIM-IQGAPNPZSA-N 447.347 6.063 10 40 IKCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1C(F)(F)F 16712735 NRHOVPUXVYPDTG-NPDFUIFFSA-N 448.491 5.102 10 40 IKCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1OCc1ccc(Cl)cc1Cl 18173667 ZIBHOTSXINAVRX-APSNUPSMSA-N 426.346 5.070 10 40 IKCB Cc1cccc(Cn2cc(/C=C3/C(=O)N(c4cccc(C)c4)C(=O)N=C3O)c3ccccc32)c1 35129041 HICBSRPCMSAZDE-BUVRLJJBSA-N 449.510 5.813 10 40 IKCB CCOc1ccccc1NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)S1 35644925 UEMCKGZSFXSKAB-LFVJCYFKSA-N 444.556 6.055 10 40 IKCB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 58846421 CINIOLGFVPMMFB-VVZHRXSXSA-N 448.563 6.070 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc21 223495823 QKBXURWTSFYAPG-UCQKPKSFSA-N 429.564 5.498 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1 408759310 BZHAUZQBBDOGHQ-RGEXLXHISA-N 431.875 5.518 10 40 IKCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1cccc(F)c1 409036182 AHVPZOAIHWIXOE-JAIQZWGSSA-N 431.554 5.271 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409193412 KFVOIXDFDNCEJY-YBFXNURJSA-N 439.876 5.848 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCCCCC2)c1O 2667146 FFWXSQCCIFMLOU-UHFFFAOYSA-N 445.563 5.299 10 40 IKCB biogenic CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(Cl)cc3)c2C)cc1 2679453 FFUFENNLZYEVPK-UHFFFAOYSA-N 427.953 5.899 10 40 IKCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 13750169 CTAHPQVVZIYHCC-PXNMLYILSA-N 426.346 5.416 10 40 IKCB O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)Nc1cccc2ccccc12 13775087 JOPMGMSOXOYIMA-UHFFFAOYSA-N 426.859 5.913 10 40 IKCB COc1ccc(CN[C@H](Cc2ccsc2)c2ccc(C)cn2)cc1Cc1c(C)n[nH]c1C 19215466 XGCTXEASQRIIEM-RUZDIDTESA-N 446.620 5.464 10 40 IKCB Cc1ccc(S(=O)(=O)N(C)c2c(/N=N/c3ccccc3)nn(-c3ccccc3)c2N)cc1 19927958 UMPVWKROARIUIS-OCEACIFDSA-N 446.536 5.003 10 40 IKCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccccc4O)cs3)N=C2C)cc1 26675917 HZTSKTJTJXQPRI-XSFVSMFZSA-N 432.549 5.168 10 40 IKCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S2)cc1 35043419 SFYNVLOMEPQXJY-XSFVSMFZSA-N 426.538 5.137 10 40 IKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4cc(C)ccc4C)=NC3=O)cc2)cc1 35644966 RNDURKQKWQRCHO-BUVRLJJBSA-N 428.557 6.273 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(F)cc2)cc1 408761590 GPZLSPNKXBUSFO-PXLXIMEGSA-N 446.478 5.076 10 40 IKCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)cc1 409231890 LOWSATSSMOFSAM-DEDYPNTBSA-N 434.492 5.040 10 40 IKCB CCCCCCC1(C)OC(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)O1 3764491 PTFXEKULERVMGD-UHFFFAOYSA-N 447.325 5.879 10 40 IKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 8872541 RZMQMXVDUGDQLT-ZXOFLVKFSA-N 425.962 6.562 10 40 IKCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(Cl)cc1 20733970 LSYDNBXYRUXCRG-UHFFFAOYSA-N 446.938 5.361 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc2ccccc12 260771905 LZXJBZYRQQTJJP-YKQNXRHISA-N 438.600 6.232 10 40 IKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408742764 PTSISPZXTJLTCE-UKTHLTGXSA-N 428.227 6.143 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 408760601 BMRCUJHGOJCPIR-STZFKDTASA-N 445.902 5.514 10 40 IKCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 409160216 DVRFJIMTDYAEGP-RVDMUPIBSA-N 433.291 5.048 10 40 IKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 8765567 WOOJDBOLDLDJHK-SDXDJHTJSA-N 449.594 5.182 10 40 IKCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc2ccccc2c1 8820439 CJSPCDBEINHSEF-YEJNLHJGSA-N 444.581 5.626 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)cc2)cc1 13941801 UFUXWAFNMIVTRB-KGENOOAVSA-N 433.851 5.091 10 40 IKCB O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccccc1 408903208 VQYRCFDSEVGUKM-RCCKNPSSSA-N 446.553 5.110 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl 408945367 WHVFLFIAGWXQLS-RCCKNPSSSA-N 430.891 5.361 10 40 IKCB COc1cc(OC)c(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1Cl 2115460 GWCPQEWEZVDKBX-UHFFFAOYSA-N 437.879 5.282 10 40 IKCB biogenic CC(C)C1=NN2C(=N)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)N=C2S1 8450581 OWWNTDIYFPMIKF-CCOMCPQUSA-N 445.523 5.104 10 40 IKCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3cccc(C)c3C)c2)SC1=S 9113028 JCVNZHMRPWVRSF-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC[C@@H]3CC)C2=O)cc1 12275992 YSPLXGQHFGQFNF-ZWVASEPXSA-N 430.639 5.022 10 40 IKCB C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C1 14549089 GJNFIVDYTRJFOO-BJUSWJRTSA-N 439.558 8.612 10 40 IKCB N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 27902734 FJCJXQWDHYIMMT-MRKXPFMVSA-N 446.919 5.462 10 40 IKCB Cc1ccc(COc2ccc(/C=C3/SC(=S)N(c4cc(C)ccc4C)C3=O)cc2)cc1 35039464 FRTOLUNYCIHTTP-BUVRLJJBSA-N 445.609 6.597 10 40 IKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S 35040220 WOOJDBOLDLDJHK-OBGWFSINSA-N 449.594 5.182 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(O)cc1 225016680 XXJLEYCFGDGBRP-DNQXCXABSA-N 432.593 5.110 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2F)cc1 408762364 OHBJAOKSOULITP-NLRVBDNBSA-N 436.486 6.212 10 40 IKCB COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CCCc4ccccc4)C3=O)c2C)c1 409140345 DAOOPACCTREVCZ-JLPGSUDCSA-N 446.572 5.772 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O 409329207 CAVCNUHVUHUYFE-KGENOOAVSA-N 439.989 6.688 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)SC2=S)cc1C 409340083 QETJMUSRGIELTR-LSCVHKIXSA-N 443.391 5.953 10 40 IKCB CC(C)(C)c1ccc(OCCn2cc(/C=C3\SC(=S)NC3=O)c3ccccc32)cc1 1245110 DAQGPZVYZXMDEA-STZFKDTASA-N 436.602 5.507 10 40 IKCB O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C1CCCCC1 13765487 VXFMJLQHIBYQSU-WQRHYEAKSA-N 438.401 6.787 10 40 IKCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=N)N12 13810857 BFDWUEFQAVLBKZ-JHBSOEOQSA-N 431.348 5.568 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C(O)=NC1=S 59137971 OUBXFHYSAMYCPF-XMHGGMMESA-N 448.569 5.973 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F 112294435 NLAQVXRHNOFUSX-UYRXBGFRSA-N 448.401 5.382 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222924762 BIFBEYZEYVRVQZ-UKILVPOCSA-N 432.637 5.734 10 40 IKCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 224725210 HMCIACNNQLQZDF-BUEREQSYSA-N 434.624 5.837 10 40 IKCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1 408765637 MUQKWPOBLQKBTB-PXLXIMEGSA-N 436.342 5.894 10 40 IKCB COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)N(c2ccccc2)C1=O 408767601 YWPVKHOPEBFWJU-XDJHFCHBSA-N 444.943 6.398 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 408775225 RLTKCNMBKNHXDB-XPCGLTFESA-N 437.996 5.910 10 40 IKCB CCOc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 408872121 KVDVBIXXHXTTLS-UHFFFAOYSA-N 446.890 5.322 10 40 IKCB CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)ccc21 408899388 OXGBLKXYEZNUNP-PXLXIMEGSA-N 437.499 5.098 10 40 IKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 409234846 NFEKVGCYIVSWCW-GZTJUZNOSA-N 439.364 5.474 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 8821404 AZGHAAZCNLSQCJ-DEDYPNTBSA-N 425.962 6.568 10 40 IKCB CCN(CC)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12560569 HYUGIVWIBGLFOW-AZGAKELHSA-N 431.967 6.429 10 40 IKCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14414475 CGFMVSQBYPWKJB-ZVSYKFGMSA-N 439.511 5.913 10 40 IKCB C[C@@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 33396865 NWAPFUHJSAIMPZ-MPGAHLTBSA-N 431.582 6.228 10 40 IKCB O=C1N=C(Nc2cccc3ccccc23)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 35646625 JTTRPIWOCROVTB-HMAPJEAMSA-N 441.468 6.090 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)N21 222701651 MPWKEGTUXPTTDJ-GAZXMLTASA-N 446.576 5.197 10 40 IKCB Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C(C)C 223617464 PJCXPAVWPKEIOD-VLZFXTDASA-N 449.570 5.728 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 409253496 VCWDJHDLZXXCMR-LDADJPATSA-N 436.920 5.048 10 40 IKCB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 409340300 ULAIXAUSBATRKP-HZHRSRAPSA-N 448.613 6.099 10 40 IKCB O=C1c2ccccc2-c2onc3c(N4CCOCC4)cc(Nc4ccc(Cl)cc4)c1c23 2294476 BXRBSHRMJCOTKY-UHFFFAOYSA-N 431.879 5.273 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3ccc(SC4CCCCC4)o3)C(=O)N=C2S1 41083109 CQRUXAMKDFQHDV-ZXPXUXNTSA-N 430.599 5.904 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1 222829464 KPVLCQJOJVBJDR-FGZHOGPDSA-N 425.001 5.523 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 222972291 RNCCSMHDFKUWEQ-AHWVRZQESA-N 446.664 6.133 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C 223343210 PMYIYZBHALOIHH-LOSJGSFVSA-N 442.588 5.563 10 40 IKCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O 260567535 LSDMZDVXUASUMS-QZZQKYANSA-N 444.597 5.175 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1 409232908 IZNGCSKOVVOHNG-RCCKNPSSSA-N 428.513 5.121 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S 1186002 NDBFLRAIAAFRPF-BOPFTXTBSA-N 434.380 5.249 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cn(CCOc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1 2450265 PWUAGIUTRPUYHV-PEODKBGFSA-N 442.544 5.196 10 40 IKCB CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(C)ccc3N12 9234778 MACIXIUGBSDKLL-ZNZIZOMTSA-N 433.507 5.017 10 40 IKCB S=C(Nc1ccccc1)Nc1nc(-c2ccccc2)c(/N=N/c2ccc(Cl)cc2)s1 17920101 FWRCRAHWQIXPOJ-BYYHNAKLSA-N 449.992 7.688 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Cl)c3C)N21 222697241 GBSFSEJTVGCJNS-PDIWNELESA-N 437.012 6.122 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 222791601 XDCSIVILOGXIOD-VXKWHMMOSA-N 425.001 5.443 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(Br)cc2)cc1 408841762 KWKNYFBQNKYNJZ-CPNJWEJPSA-N 439.334 5.354 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1 408883837 REUBLXWTLYGLIY-XKZIYDEJSA-N 436.964 6.292 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409341472 BFRPAPZIQZXHTJ-SGEFVQMOSA-N 438.401 6.577 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 8821682 JFRHKCNTFMQOKG-HMAPJEAMSA-N 444.512 5.355 10 40 IKCB CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1OCC 15015722 GIWMLLDBFDPOEQ-DEOSSOPVSA-N 429.520 5.643 10 40 IKCB COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCc1ccc(F)cc1 33574843 BIMXLIJDRWFONT-UCQKPKSFSA-N 448.519 5.804 10 40 IKCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 40567395 ZSGGPGRCHAGXGR-XLXASQRYSA-N 439.489 5.113 10 40 IKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1 112293553 ZLPHCADOOXBMCG-HAHDFKILSA-N 435.886 6.380 10 40 IKCB CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)o2)cc1 208689159 QAUOCDZDDQADRK-JWGURIENSA-N 446.528 5.986 10 40 IKCB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 223031498 JXUDNXRHARNZMH-YIGJPRQDSA-N 429.004 5.920 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)cc21 260922664 RCYQRVNOKPDISO-BJKOFHAPSA-N 444.604 5.479 10 40 IKCB CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccccc2)c1 408983287 AJNZVGISTFLWSG-HAVVHWLPSA-N 439.511 5.733 10 40 IKCB CCN(CC)CCSCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 4428635 BYCSDSODGSHNKL-UHFFFAOYSA-N 432.033 5.927 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 33457837 XOBYHHZALPNJHD-STZFKDTASA-N 448.525 5.580 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)c(C)n1-c1ccccc1 209534600 ACHYHNLBYPBVEL-PCLIKHOPSA-N 438.552 6.484 10 40 IKCB CCN1c2cc(C)c(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[C@@H](C)CC1(C)C 223583755 HQXCQLPVHUHHKQ-YODDIOPGSA-N 444.597 5.095 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225014101 BAPYCIJJVNOYOF-RPBOFIJWSA-N 430.621 5.713 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(C)=C2C(=O)OC)cc1OCC 408793071 CXCAEZPWMPDXLP-QNGOZBTKSA-N 435.520 5.060 10 40 IKCB Cc1ccsc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O 409348339 SEEMCXBEJPMGCH-NTUHNPAUSA-N 430.801 5.878 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(F)F 409350326 RQLHLLFCHQTJKX-CXUHLZMHSA-N 441.908 5.746 10 40 IKCB CC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(N(C)C)cc1 1831922 XSVWZDTVEWIFKJ-GDLZYMKVSA-N 444.619 6.111 10 40 IKCB biogenic CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)N=C2S1 41082814 DMTQGKDHFLAIJB-VHGNOBFKSA-N 445.470 5.305 10 40 IKCB Cc1ccc(Cl)cc1-c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)o1 59136250 VCJOIEBTDKTTLO-LFIBNONCSA-N 440.883 5.719 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccn1 223374494 BHECDZXIVSFNBG-DQEYMECFSA-N 439.588 5.057 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(OC)nc3)C2=O)cc1 408986286 PLYOEPUSHBXMBI-XMHGGMMESA-N 432.907 5.614 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc2ncccc2c1 408987832 YVXHBZCKYYAHCQ-DEDYPNTBSA-N 443.333 7.013 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O 409344681 IALUMHQRGJBKBR-KGENOOAVSA-N 437.611 6.366 10 40 IKCB O=C1C(=Cc2ccsc2)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2532801 ROSLQBZKBAMLPO-UHFFFAOYSA-N 443.311 5.638 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 9113694 KBHXPFPNVPAHDA-OEEDQDNFSA-N 445.523 5.248 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 13940512 QMSZGOKXNWRTFE-PDGQHHTCSA-N 438.892 5.059 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 35042576 JFRHKCNTFMQOKG-HYARGMPZSA-N 444.512 5.355 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 100929779 FPBBHWKFGLKXMA-JYRVWZFOSA-N 425.659 5.274 10 40 IKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1 103916543 WIULIEVVJLYOIP-XHPQRKPJSA-N 427.523 5.634 10 40 IKCB O=[N+]([O-])c1cc(Br)c(/N=N\c2cccc3ccccc23)c(Br)c1 104064083 KXUIGFSQDIVESZ-VXPUYCOJSA-N 435.075 6.688 10 40 IKCB O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N/c3c(O)nc4ccccc4c3O)cc2)cc1 104366942 QPJSTTPQEFBUTQ-HXEHWPEMSA-N 449.448 5.724 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222619934 JLYLNPTXAPLXNM-IRBZQWRBSA-N 437.012 6.040 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222965036 OKEYUWIUNVVXKE-GOTSBHOMSA-N 439.028 5.915 10 40 IKCB O=C(O)c1ccc(COc2ccccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 408902323 MZMAQKBFDOHHQF-KGENOOAVSA-N 447.537 5.370 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)c1C 409141962 JVOHRMGFKPRXKX-RCCKNPSSSA-N 444.581 5.286 10 40 IKCB Cc1cc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)c(C)n1-c1ccc(Cl)cc1 3418876 DFRFLWMCVFSHIO-UHFFFAOYSA-N 443.377 8.283 10 40 IKCB Clc1cccc([C@H]2[C@H]3CC=C[C@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)c1Cl 6475246 OOLWDDHOESJTDM-LAQIFKFKSA-N 444.405 8.041 10 40 IKCB Cc1cccc(Nc2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)c1 9553902 SZCFNHQBGJQJES-UHFFFAOYSA-N 432.479 5.766 10 40 IKCB CCc1ccc(-c2cc(-c3ccccc3)c3c(n2)/C(=C/c2ccc(N(C)C)cc2)CCC3)cc1 12555248 JZTSNISSRGAEJC-SZXQPVLSSA-N 444.622 7.921 10 40 IKCB O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1cccs1 35376164 UFIKSCMEOFNNCY-PYCFMQQDSA-N 445.613 5.126 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)SC1=S 59167680 SNXJJEXIEDEAMM-SXGWCWSVSA-N 438.357 5.434 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 208256321 BDHPOAQPEFVWMB-GNKPEBMXSA-N 443.037 6.468 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2cccc(C)c2)cc1 408841411 IXGSSDWEIAZGTM-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)CC)C3=O)c2C)cc1 409020523 QEWBVLMTQITNKV-GNUZOCDUSA-N 426.538 5.106 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409190413 MRVLRSNQZITQQY-WYMPLXKRSA-N 429.564 5.084 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Sc2ccccc2)C1=O 409247348 NAQXGFSVYRZJLH-JXAWBTAJSA-N 448.931 5.466 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409336709 UFQNOAHDFXABSH-PDGQHHTCSA-N 427.903 5.654 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 9348766 DKOXVWBJUMXCFF-SMYYMERESA-N 448.548 5.254 10 40 IKCB CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OCC 13371341 NWZGTKLNOMLRMG-YVLHZVERSA-N 429.310 5.536 10 40 IKCB COC(=O)c1ccc(-n2c(C)cc(C3=NN=C(Nc4cccc(C)c4C)SC3)c2C)cc1 15978476 LMKJCAXJWOJOTE-UHFFFAOYSA-N 446.576 5.417 10 40 IKCB O=C1c2ccccc2N[C@@H](c2ccc(N3CCCC3)cc2)N1c1cccc(C(F)(F)F)c1 16524321 UYHIYUSIQTXDHW-HSZRJFAPSA-N 437.465 6.077 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)c1C 260769388 LVNZTOWCSSOPBQ-BUUDZMLXSA-N 430.621 6.031 10 40 IKCB Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1ccc(C(=O)O)cc1 408634051 OEYJIYQMPFOEFY-NDENLUEZSA-N 434.473 5.151 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3cccc(F)c3)c(Cl)c2)C1=O 408881193 IKBNGQNBAAHDPU-DEDYPNTBSA-N 448.881 5.045 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 408983857 DOMUMHFJOBBHAM-XMHGGMMESA-N 436.338 6.863 10 40 IKCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O 409230247 CSBPINGANGEHIL-DHRITJCHSA-N 443.591 5.475 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)SC2=S)cc1 409329507 DUAXNWRTKFBXBN-HAHDFKILSA-N 447.581 5.988 10 40 IKCB O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12 1747677 KFSLKJHUGLVEPH-UHFFFAOYSA-N 437.845 5.824 10 40 IKCB biogenic COc1ccc(NC(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N3)cc1 4062909 VSNYNWKZXCVVPL-HWBMXIPRSA-N 430.935 6.427 10 40 IKCB Cc1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)cc1C 33390941 JRXXSJMAKKUTDH-MOSHPQCFSA-N 448.009 5.636 10 40 IKCB CCc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(CC)C3=O)c2)cc1 33430047 GMQUMSMMUDAHCJ-PGMHBOJBSA-N 427.591 5.318 10 40 IKCB Cc1c(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c2ccccc2n1C 59247956 LXBHWKXMRAZJRU-UHFFFAOYSA-N 435.483 5.070 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc2[C@H](C)CC1(C)C 208310200 OXHRQXFVUIROFH-OFNOZLENSA-N 440.012 6.535 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(Br)c3)cc2)C1 260733003 DOOOULMMVZWMPQ-JKSUJKDBSA-N 432.431 5.733 10 40 IKCB CCOc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c1 408783589 NGXZORGELZYUDV-RCCKNPSSSA-N 426.472 5.773 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 408901282 DBIPYWOLJWUZHX-HZHRSRAPSA-N 432.614 6.623 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409326361 AXOPWYKSJXDCNP-UNOMPAQXSA-N 448.535 6.020 10 40 IKCB Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12 1249005 JRIOHUGAMKOONO-UHFFFAOYSA-N 426.497 6.163 10 40 IKCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c(C)c2cc1Cl 8613823 IHYMYVXTZIQQFX-HXUWFJFHSA-N 440.971 5.590 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1C1CCCCC1 16383942 UAELGJJBEYXOAV-BOPFTXTBSA-N 438.401 6.787 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1C 16713249 IHXKDDVBYHLPBA-HZHRSRAPSA-N 427.460 5.288 10 40 IKCB COc1ccccc1/C=C1\C(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N=C1O 33420310 ZBNPYGOHLACHTI-JCMHNJIXSA-N 442.471 5.089 10 40 IKCB CCCCN1CCc2cc(/C=C3\C(=O)N(c4ccc(C)c(C)c4)C(=S)N=C3O)ccc21 33437955 QFDZYJOYENYHJO-QNGOZBTKSA-N 433.577 5.138 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 208470078 ZLIZZIJZHNXARD-NHDPSOOVSA-N 438.980 6.208 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2C(C)=CC1(C)C 208518145 RCXQSQXMMSHREE-HMAPJEAMSA-N 434.630 6.423 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O 211412142 ZHKPYPBRLLJBOJ-OQLLNIDSSA-N 426.346 5.504 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 222699233 JXKDGJOTPSZTDE-DQMJNTIXSA-N 432.593 5.477 10 40 IKCB COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222921891 OOUWBKCZBRBBCN-RPWUZVMVSA-N 434.609 5.126 10 40 IKCB O=C(Oc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 408736448 TXGTUDAOIATDHN-DPLHUUCSSA-N 446.344 6.495 10 40 IKCB O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S)c1cccs1 409350228 QZOFVEWHPQFYNT-QGOAFFKASA-N 438.555 5.087 10 40 IKCB Cc1ccc(C(=O)Oc2c(-c3ccccc3)c3nc4ccccc4nc3c3ccccc23)cc1 9301752 JUQQLMSXOGCQJK-UHFFFAOYSA-N 440.502 7.131 10 40 IKCB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)N1CCCc2ccccc21 12569802 AEWCSWZHUCBTAA-WUKNDPDISA-N 445.522 6.278 10 40 IKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cccc4ccccc34)C2=O)cc1 17098459 OCQHOZNLRMHIRI-XHPQRKPJSA-N 433.511 5.985 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1 33590161 HKKYSTFNTVOODA-UDWIEESQSA-N 437.471 5.044 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccccc1 59418166 FUMRAUPUPLKOMI-HYARGMPZSA-N 435.545 5.806 10 40 IKCB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)ccc2c1 225727299 GFTSLADPYHAKAU-LJQANCHMSA-N 438.593 5.124 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2ccc(Br)cc2)cc1 408841780 LIJSAHLNGAODRN-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC)c(OCC)c3)SC2=S)cc1 409329568 GBANDBNVOQGBMV-XSFVSMFZSA-N 429.563 5.289 10 40 IKCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(Cl)c(Cl)c1 1264738 YLSCVKPZFYGFOZ-GDNBJRDFSA-N 441.361 5.207 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 2119948 RFTVCPPLVTYBRX-XDHOZWIPSA-N 449.498 5.658 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3C)C2=O)cc1 2220015 FMBIWAUAVADMIQ-MRSJDWDVSA-N 441.531 5.865 10 40 IKCB COc1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1F 12419575 MKGLYHUMLCSRML-UNOMPAQXSA-N 436.866 6.048 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1Cc1ccco1 13590948 YEMXYPRVNUXRRC-LICLKQGHSA-N 446.347 5.704 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225013900 ICTLKFFMKUIRMT-JWQCQUIFSA-N 430.621 5.713 10 40 IKCB Cc1ccc2cc(C3=C/C(=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)C(=O)O3)ccc2c1 408757203 VZAAWMYAHAJNDR-UNOMPAQXSA-N 447.317 7.696 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1 9232538 CAMLECHWXJXBRN-OQLLNIDSSA-N 425.362 5.171 10 40 IKCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 9281319 PSRZHDYRLDBLRY-HSJXSQSUSA-N 443.985 5.077 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3CC)C2=O)cc1 13774038 SZMUKMILPNFXCY-PGMHBOJBSA-N 438.618 5.432 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1C1CCCCC1 59418181 IPNOOJHJDXGIIR-KGENOOAVSA-N 427.566 5.939 10 40 IKCB COc1ccccc1-c1c2oc3c(O)c(O)ccc3c2nc2c1c(O)nn2C1CCCC1 95475593 HNRRKOJQAJOGOM-UHFFFAOYSA-N 431.448 5.238 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c(C)c1 222925598 GYRSQYSLQWCBQC-AHWVRZQESA-N 446.664 6.043 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260784147 VBVDBWUUKPHVLF-FMNCTDSISA-N 430.621 5.949 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408754235 JGMZCLNQPKJFCT-ATVHPVEESA-N 440.301 6.612 10 40 IKCB O=C1[C@H](Cc2ccccc2OCc2ccccc2)SC(=S)N1CCC1CCCC1 409161278 MCRGCSQJYYYBDQ-QFIPXVFZSA-N 425.619 5.617 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S 409206548 LBACMRUSKWVIMC-FYJGNVAPSA-N 438.549 5.360 10 40 IKCB CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)C(=O)Nc3ccccc32)cc1 4708952 YBFHMVOHUNYVFP-UHFFFAOYSA-N 427.592 5.666 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)c(Br)cc1OC(C)C 8444180 CPRYREMEAKAQNP-ZDLGFXPLSA-N 443.341 5.359 10 40 IKCB O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1 8782188 OCQBLFCFRWIMRF-JCMHNJIXSA-N 445.613 6.076 10 40 IKCB CC(C)(C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 8821447 UKLSVEDWEMGDCW-RIYZIHGNSA-N 442.345 5.318 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)S2)cc1 8821729 DLMRJPGIIPXXHU-JLPGSUDCSA-N 428.557 6.219 10 40 IKCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 9291256 CGGWNQQRKWHZMI-FWPSJRISSA-N 426.929 5.655 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 10059721 ZKUPEOZMYCRHAH-UHFFFAOYSA-N 440.735 5.679 10 40 IKCB CC/C(NCCc1ccccc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 17161167 HSGMICCUKQBPHL-OBGWFSINSA-N 444.482 5.058 10 40 IKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 102715547 LTANIYNVENJTCN-HAXVPUKYSA-N 446.388 6.546 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)SC2=S)cc1 409350257 XFFUWLMKDMYLJE-UDWIEESQSA-N 435.526 5.667 10 40 IKCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2C)C1=O)=C\c1ccccc1 1267238 HHWWWHBZQZJUQF-AMQBKCJUSA-N 436.602 5.561 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(O)c3)C2=O)cc1 8819749 SWPMEQNPMIYDGB-ZHZULCJRSA-N 440.590 5.101 10 40 IKCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)c1 13058475 BALJJJGHDJEGRP-FYJGNVAPSA-N 447.537 5.370 10 40 IKCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 14415095 HJPCURKNTGXDQA-JXAWBTAJSA-N 430.331 5.299 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 15056985 PPZFLMBLGOOJRL-AQTBWJFISA-N 440.619 5.371 10 40 IKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccccc2C)C1=O 16746046 HHWWWHBZQZJUQF-JQILVBFNSA-N 436.602 5.561 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C)cc1 17299752 PJOBTQFLMOYSBO-UYRXBGFRSA-N 426.310 5.025 10 40 IKCB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1 224201186 VPUCDDTZNSKJPF-UIOOFZCWSA-N 438.600 5.975 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1 408760915 AWVBTNCJQYVKKF-UYRXBGFRSA-N 436.338 6.782 10 40 IKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 408762539 OYCDOZKSWQOSAK-LFVJCYFKSA-N 443.333 6.981 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2)cc1 408843473 MYJJXWKXLKBEQY-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCOC)C3=O)c2C)cc1 409234825 MVSLSJDKFIDRQN-CJLVFECKSA-N 426.582 5.510 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC 409349844 RBULYSXRFDDISC-STZFKDTASA-N 427.591 5.897 10 40 IKCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1C 1267945 RKCIUEDVTUBXAU-SQBXPZIGSA-N 436.602 5.480 10 40 IKCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 6144587 JYWBBHQMIZZTQG-IUKKYPGJSA-N 427.375 6.446 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1Cc1ccco1 8821358 NXLIJUDXMGZMGC-NDENLUEZSA-N 441.961 5.913 10 40 IKCB O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12 20059371 LKYHDVYWNBJBQP-FYJGNVAPSA-N 429.317 5.945 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)S2)cc1 35042655 DLMRJPGIIPXXHU-LFVJCYFKSA-N 428.557 6.219 10 40 IKCB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)N1CCc2ccccc21 44086260 KZFNUDKHBXEVGC-UHFFFAOYSA-N 425.557 5.280 10 40 IKCB CC(=O)Oc1c(Br)cc(Cl)cc1/C=C1\C=C(c2ccc(C)cc2)OC1=O 408743816 VMWDLLYDJOCGFC-VIZOYTHASA-N 433.685 5.318 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)cc1 408845571 QKCPJVOPRXBEFN-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 408997161 LIUKXEPIRGEUDN-QJOMJCCJSA-N 433.548 5.650 10 40 IKCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 409046128 ISUULBGLSNJWDD-CXUHLZMHSA-N 447.318 5.065 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409096066 JMWWRFQLXOFXAJ-KEBDBYFISA-N 440.330 5.807 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21 409164091 CIFHJEVVJRQFEQ-SNUQEOBHSA-N 435.705 5.846 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl 2307440 RDGFBSYLRUUCBY-BOPFTXTBSA-N 441.270 5.228 10 40 IKCB CCN1C(=O)/C(=C\C=C2\N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S 17282250 ONZWGFGYRTWEHO-NNFYUIBOSA-N 434.630 6.119 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccccc1 33674371 UEQGDRDPLSEERV-STZFKDTASA-N 437.973 6.325 10 40 IKCB [N-]=[N+]=NCC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 97965264 FANNRODASUFRCI-KYCHXARBSA-N 440.334 6.427 10 40 IKCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408813383 QSUKSCNSRPWUGD-NVNXTCNLSA-N 426.346 5.070 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21 409173798 KHXFQFWLMXNSDC-OAVHHTNSSA-N 435.705 5.846 10 40 IKCB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 409195049 OYRAOGAEKPWRFO-PXLXIMEGSA-N 442.519 5.120 10 40 IKCB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 409342925 BZSROQQEMXKRRP-RNEAKCBISA-N 446.981 5.064 10 40 IKCB CCCCOC(=O)c1cc(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1Cl 8430306 NKWYDFIVFJQEJW-UYRXBGFRSA-N 446.334 5.669 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1cccc(Cl)c1 9310256 KOVKBHBJGAWJFN-FYJGNVAPSA-N 437.973 6.325 10 40 IKCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 14414981 AWIACGQZTSEUAD-AQTBWJFISA-N 430.331 5.299 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C(O)=NC2=S)cc1 17016242 BGAVDXNGDHPBFC-RCCKNPSSSA-N 437.524 5.815 10 40 IKCB CN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)c2ccccc21 20059391 WFQBPECZQOGRBU-LTGZKZEYSA-N 428.919 5.891 10 40 IKCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)C3(c4ccccc4F)CCCC3)c2C)cc1 25390936 ZOKWUQSHRQRXRY-UHFFFAOYSA-N 449.522 5.480 10 40 IKCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)ccc12 100796209 HEEJZIZZTPCGPK-NGOKVRLYSA-N 431.576 5.798 10 40 IKCB biogenic CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2C(C)=CC1(C)C 208532620 GKUCTUFHCCYTJL-XKZIYDEJSA-N 433.527 5.249 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1 224397759 ULXOVFQSZBRNTE-RPBOFIJWSA-N 442.563 5.805 10 40 IKCB CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C 260562694 BHNNOWHNQHYSEZ-VYZAVGSRSA-N 435.543 5.419 10 40 IKCB CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)O2)cc1 408757548 ZQDGBYZMUCEMES-MOSHPQCFSA-N 430.460 5.382 10 40 IKCB Cc1ccccc1/N=N/c1ccc(/N=N/c2cc(CN(C)C)c(O)c3ncccc23)c(C)c1 5464851 CGFQDCNEANTKJL-DUJDKOHPSA-N 438.535 7.450 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 8435248 MTOGYYHZWXZMBK-NEMUNFNQSA-N 442.515 5.666 10 40 IKCB N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12 13895105 JQVPHAXEVALNCU-ZKNSXIRRSA-N 437.524 5.570 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 41076758 OSBAXHDCALOPJW-GLGSTRKCSA-N 449.923 5.008 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1 222919993 WLAWGPRPRFPDFT-DHIUTWEWSA-N 439.028 5.771 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3cccc(Br)c3)cc2)C1 260732998 DOOOULMMVZWMPQ-HOTGVXAUSA-N 432.431 5.733 10 40 IKCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C1CCCC1 408777714 GUUYYSUCZYBEBL-LFIBNONCSA-N 446.334 5.193 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)ccc1OCc1ccccc1 409054165 SFICWRLAYKBQEM-BUVRLJJBSA-N 426.512 6.262 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc2ccccc2c1 409069621 WKYVVFQYQSRDSF-MFKUBSTISA-N 439.490 5.479 10 40 IKCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1 409349560 QVIFQKGCWYDZLL-NDENLUEZSA-N 439.945 6.208 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C(O)=NC1=S 59137203 HUENSNQAZQAQBW-KGENOOAVSA-N 447.535 5.467 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C(O)=NC1=S 59137418 RHZWWKJHSNKJNN-UDWIEESQSA-N 433.508 5.213 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl 100147743 HHDKQQHVHINKIT-BKUYFWCQSA-N 437.326 6.379 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4F)o3)SC2=S)cc1 408604492 UWBVDNYOPBOYPC-UDWIEESQSA-N 443.496 6.029 10 40 IKCB C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Br)coc23)C1 2437344 WBNYNVXJNQVMBN-AWEZNQCLSA-N 444.325 5.285 10 40 IKCB Cc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 2712585 LPWHXXVCBOUINF-STZFKDTASA-N 427.591 5.310 10 40 IKCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3cc(C)cc(C)c3)c2)SC1=S 2882461 FJFZHMFADLKRLC-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 3035080 GBUGGIVGXOSDSB-JWGURIENSA-N 433.554 6.283 10 40 IKCB Cc1oc2c(CN3CCCCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1 9209452 MKWUXXVIKFHKLC-UHFFFAOYSA-N 428.326 5.222 10 40 IKCB biogenic CCOc1ccc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3c(N)c2c1 9310791 WBWYUCDLQHTGJR-UHFFFAOYSA-N 436.309 5.384 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 13898137 UHQDJRULVUPMAE-UNOMPAQXSA-N 439.298 5.034 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 18173588 ZECGSTGJDMTRMU-TXTKFYIRSA-N 430.891 6.306 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)S2)cc1 18193716 RNGHHZMQVXQOGA-DEDYPNTBSA-N 434.473 5.126 10 40 IKCB N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 30718954 CXYDZIQVASZCSH-YIFJCWOOSA-N 442.456 5.159 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1C 225018435 COLWLRWQWTZKMQ-IZZNHLLZSA-N 444.648 6.021 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2cccc(C)c2)cc1 408758607 NQBOPJIBJCALPA-LPYMAVHISA-N 437.326 6.145 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)C(C(=O)OC)=C2C)cc1 408891862 DCXUFNDEUQICHI-ATVHPVEESA-N 432.303 5.269 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Br)cc1 408976790 SEBMQARSXNYYHG-MOSHPQCFSA-N 440.337 5.333 10 40 IKCB Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(Cl)cc1 409086556 VXKBFYPVHWYRJN-FUDBJYBQSA-N 432.998 5.128 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4OCC)c3C)C(=O)N=C2S1 9161370 QEXDMWIMCGNKHZ-ZWEMGWPWSA-N 449.580 5.302 10 40 IKCB Cc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(NC3CCCCC3)=NC2=O)c1 13039388 GCHOZDSFKQYFQJ-KQWNVCNZSA-N 442.588 5.740 10 40 IKCB Cc1cc(/C=C2\Sc3ccccc3N2Cc2ccccc2)cc(C)[n+]1Cc1ccncc1 13051248 BALWVSAHKGAPCI-UHFFFAOYSA-N 436.604 6.145 10 40 IKCB Oc1ccc2cc(Br)ccc2c1CN1CCN(C/C=C/c2ccccc2)CC1 22924340 ZQUIEHQPNFUETO-QPJJXVBHSA-N 437.381 5.139 10 40 IKCB Cc1ccc(OCc2nc(CC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cs2)cc1 24208146 ZCQOZCIQGQEMPR-UHFFFAOYSA-N 449.620 5.222 10 40 IKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl 100321689 KCQIRYIUXNGUOU-OQKWZONESA-N 430.935 6.505 10 40 IKCB Nc1cc(N)c(/N=N\c2ccc(Cl)c(/N=N\c3cc(Cl)c(N)cc3N)c2)cc1Cl 104050103 UDHQBTHXNKZWJS-UKDOXLPISA-N 449.733 6.806 10 40 IKCB CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OCC 219279282 ZWGQCLBHOLILTP-RTWAWAEBSA-N 438.612 5.530 10 40 IKCB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)cc2)n1 225292300 LBGOAVNAFNFGSJ-KNQAVFIVSA-N 430.596 5.276 10 40 IKCB COc1ccc(C2=C/C(=C\c3cc(Cl)cc(Br)c3OC(C)=O)C(=O)O2)cc1 408740548 CABAXACLNXEEOZ-VGOFMYFVSA-N 449.684 5.018 10 40 IKCB COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2 2755711 KGXLDPOLPLEHKB-SJORKVTESA-N 447.597 5.360 10 40 IKCB COc1cc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc(Br)c1O 9434558 SCDQZZALPCKFNH-YBFXNURJSA-N 449.300 5.812 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccccc1 13602810 PGOIKDCQCANWHK-STZFKDTASA-N 437.973 6.325 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccccc1 15011552 LHSMSSSJYMTSOU-GZTJUZNOSA-N 432.353 6.659 10 40 IKCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccccc1Cl 58865686 SGEFBIVZQDMJHO-UHFFFAOYSA-N 442.895 5.071 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 59138808 XXYOIGKYBUKRNA-XSFVSMFZSA-N 447.922 5.065 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 223095233 CAUREACGIPCJMG-UIOOFZCWSA-N 444.648 6.103 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(OC)cc2)cc1 408754774 RNXMEYDPZHVIBI-ZXVVBBHZSA-N 448.522 6.082 10 40 IKCB CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C 408967799 SFDBIAWRVYMANY-HMAPJEAMSA-N 433.939 5.403 10 40 IKCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 6144597 WVDIMIVWIGYONS-AXHZCLLHSA-N 441.402 6.836 10 40 IKCB CCc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1 8438973 DSPCZNWSCLGSTA-UHFFFAOYSA-N 442.587 5.516 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 9281244 IGISWWKTORIPLQ-FNSVQNJISA-N 439.972 5.475 10 40 IKCB COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)ccc1OC)[C@@H]1CC=C[C@@H]21 12628331 VRXRAZSWEMXZGP-ZOCZFRKYSA-N 428.326 5.379 10 40 IKCB CN(C)c1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 35040868 NOLXNYFDZIJJEV-LVZFUZTISA-N 448.654 5.549 10 40 IKCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 101471020 PVMKBTFVKIEXPW-HYARGMPZSA-N 447.878 5.633 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 222967824 AVSQYBMEYWGOKI-DQEYMECFSA-N 447.652 5.328 10 40 IKCB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl 225664991 BTEAKRNAKQFLKX-OAHLLOKOSA-N 431.989 5.165 10 40 IKCB COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1 408753636 GYVAOQHDFCKDFL-HKWRFOASSA-N 445.902 5.607 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 408756674 TZXOUBNXZYEDBG-RGVLZGJSSA-N 445.708 6.620 10 40 IKCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1 408902810 RQDRSGHVCUXWBA-KGENOOAVSA-N 448.569 5.287 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 408987416 XNLDESFVQHPAQZ-RCCKNPSSSA-N 426.472 5.773 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)c([N+](=O)[O-])c1 409213072 SFDXYIAYKOKMIG-ODLFYWEKSA-N 440.477 5.708 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Br 409329569 GBUOIHGZIRMKER-ATVHPVEESA-N 434.380 5.644 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCC(C)CC2)c1O 9007803 RWDGAMWASPIMGS-UHFFFAOYSA-N 434.561 5.570 10 40 IKCB biogenic CCOc1ccc(-n2cccc2/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 20210802 LRWINWBIUGIDKE-VHDUERLVSA-N 440.528 5.180 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 44853961 YKPVUCYTANCXTD-XUZZJYLKSA-N 437.603 5.151 10 40 IKCB CC(C)COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 85879390 AUJSABFCIJABMH-UHFFFAOYSA-N 447.491 5.318 10 40 IKCB biogenic Nc1ccc(/N=[N+](\[O-])c2ccc(/N=N\c3ccc(/N=N/c4ccc(N)cc4)cc3)cc2)cc1 100368255 VZUJZZLOFGSASY-VLPBBEPJSA-N 436.479 7.608 10 40 IKCB C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 219425651 YPSJRFBGBPZYTA-RTWAWAEBSA-N 437.603 5.151 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 222963622 GMEZPMAWOOFOPK-JWQCQUIFSA-N 432.637 5.824 10 40 IKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1 223052245 LCKDNCRRLTUFOL-JWQCQUIFSA-N 448.636 5.061 10 40 IKCB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl 260737607 MBZSJKNJVSWNHE-JKSUJKDBSA-N 446.016 5.411 10 40 IKCB Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2cccc(C)c2)c1 408752950 KDRNTVILSVNDLY-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB CCOc1ccccc1N1C(=O)/C(=C\c2ccc(OC)cc2)C=C1c1ccc(Cl)cc1 408763265 INOFTYORACLBGW-SILNSSARSA-N 431.919 6.219 10 40 IKCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)c1 408872407 MSFOKZZSCCKGDJ-RCCKNPSSSA-N 444.918 5.214 10 40 IKCB O=C1/C(=C\c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc(Br)c1 409193458 DBAGXFKXOFIYQW-LDADJPATSA-N 445.407 5.455 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 409330330 LDAHYYZEVCYTGN-SXGWCWSVSA-N 438.799 6.071 10 40 IKCB CC1(C)OC(=O)C(=CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)C(=O)O1 2098088 LZMZQJJMHUSGTQ-QHCPKHFHSA-N 448.563 5.102 10 40 IKCB biogenic O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1Cl 2303824 SNSJXXPQJQPBJT-WJDWOHSUSA-N 437.373 5.223 10 40 IKCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C)n3Cc3ccccc3)c2C)cc1 2625765 HGLFGTALNJFABF-UHFFFAOYSA-N 446.576 5.026 10 40 IKCB Clc1cccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@@H]32)c1Cl 6444491 RPFZUFVCTNLFBZ-PSVSLLHZSA-N 442.127 6.425 10 40 IKCB COc1ccc(NC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 13117169 LBSIPRJLQJGLNP-OEAKJJBVSA-N 431.561 5.802 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)c1 13483198 JFIBHZJYHDOGJY-NEAWXCLQSA-N 438.556 5.707 10 40 IKCB O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)c2ccccc2N1c1ccccc1 20059410 BANMKSMBXMDVOV-NLRVBDNBSA-N 444.509 7.048 10 40 IKCB O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccccc1 33392807 OGHUJLOPOKPIEK-OEAKJJBVSA-N 444.556 6.235 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(F)cc2)cc1 408754224 JEYPZEXGPVYBGS-JJIBRWJFSA-N 429.495 5.125 10 40 IKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Br)N1c1ccccc1 408765890 RJBCZQLNZKKCSK-XSFVSMFZSA-N 448.276 5.192 10 40 IKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(I)c1 408967875 VMZWQIOBINHVLG-UHFFFAOYSA-N 438.106 5.820 10 40 IKCB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 409202574 UQMPXRJNFHWDIX-KGENOOAVSA-N 428.492 5.095 10 40 IKCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12 993848 UWWTZEFJKKCIAH-MOSHPQCFSA-N 433.294 5.761 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCCC(C)C 6821594 IQFARNWMDBSHJA-WOJGMQOQSA-N 447.362 6.233 10 40 IKCB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3)c(Cl)c1)C2=O 8450184 UZQHYHADIFWPDV-UHFFFAOYSA-N 428.227 5.285 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1Cc1ccccc1 9294944 TYOZOVDDKGLNFR-HYARGMPZSA-N 435.545 5.806 10 40 IKCB C[C@@H](/N=N/c1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccccc1 13590282 ZWWNOSDBXWVQHM-NWKGHFSSSA-N 444.560 6.143 10 40 IKCB CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)C)c(O)c(CC)cc3c2=O)cc1 19898865 DTLOZFUOLXJQLG-UHFFFAOYSA-N 435.442 5.496 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(SC4CCCCC4)o3)C2=O)cc1Cl 20238574 WBOGXWGESHMQND-ATVHPVEESA-N 444.940 6.173 10 40 IKCB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1 33888621 HZSSYSHUUQNDOU-SOCMUZGNSA-N 432.336 5.040 10 40 IKCB Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2Cc2ccccc2)cc1 44086316 YIXBCOGOWSUYPU-UHFFFAOYSA-N 439.584 5.588 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCSc3ccc(Cl)cc3)cc2)C1 222694998 SGHQTZPQPKBVQR-RTBURBONSA-N 431.045 6.326 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1F 224165038 SJZHGTWELDGQCC-LOSJGSFVSA-N 442.563 5.805 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(C(=O)O)c2C)cc1 408786902 PDRHFRPQMUDURY-XSFVSMFZSA-N 440.455 5.381 10 40 IKCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c1 408973162 ZHXHNVCEOVXVKG-AQTBWJFISA-N 440.377 5.082 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)CC 409329525 FERINZOLFSOAMD-GQFJFNLSSA-N 448.009 6.322 10 40 IKCB Cc1c(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc2n1C 409330040 JTVHFIKQGLWHKJ-WOJGMQOQSA-N 432.492 5.911 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC(F)F 409353582 NULLRXJGXPJWMG-SXGWCWSVSA-N 439.530 5.424 10 40 IKCB Cc1ccc(C)c(/N=N/c2cc(C(=O)Nc3ccccc3N(C)C)c(O)c3ccccc23)c1 4044753 AWQDHCHKNLCGRL-QVIHXGFCSA-N 438.531 6.896 10 40 IKCB Cc1ccnc(N[C@@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1 8452686 YGDWDKVACVMXAO-MHZLTWQESA-N 447.538 6.424 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2C)cc1 8721323 WHEJRHUGVXYCDG-JLHYYAGUSA-N 447.623 5.057 10 40 IKCB Cc1cccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1C 33430131 MHRWHNPQNPPFFA-MOSHPQCFSA-N 448.009 5.636 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1c1cccc(Cl)c1Cl 59138107 FEMRZTSNMBRXAF-ACCUITESSA-N 434.279 5.083 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(Br)c3)C2=O)cc1 408760182 TYQMKPOJAXGOMO-HYARGMPZSA-N 447.332 5.601 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c2C)c1C 409006461 JQLRSDARSPFIKW-JLPGSUDCSA-N 430.573 5.990 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccccc3Cl)c12 409134762 PQLYYRPFKWBRGW-ODLFYWEKSA-N 426.994 5.736 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)CC 409328359 SVMXVVVVPZHWMW-AKGOGDBKSA-N 427.591 5.977 10 40 IKCB COc1ccc(NC2=NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1 2123303 ZEYNJOOPPKSNFW-IWIPYMOSSA-N 439.540 5.781 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1O 9188552 BNDZEIFPLFGFTD-CHHVJCJISA-N 442.345 5.122 10 40 IKCB CCCN1CCCc2cc(/C=C3/C(=O)N(c4ccc(C(C)C)cc4)C(=S)N=C3O)ccc21 13811621 YXTULPZDMOJEOR-CJLVFECKSA-N 447.604 5.644 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(C)c1 14406691 LAKRAYODRHIPPZ-UYRXBGFRSA-N 426.310 5.025 10 40 IKCB O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1ccccc1Cl 16449901 KHDGYNGNTRUHKH-NVNXTCNLSA-N 440.771 5.170 10 40 IKCB COc1ccc(/N=N/c2ccc3oc(=O)c(C(=O)Nc4ccc(OC)cc4)cc3c2)cc1 17836552 ZZWDRURYLOLTAN-CYYJNZCTSA-N 429.432 5.478 10 40 IKCB COc1ccc(-c2coc3c(CN4CCCC[C@H]4c4cccnc4)c(O)ccc3c2=O)cc1 20763293 JTNLVTMXXQGKRE-DEOSSOPVSA-N 442.515 5.296 10 40 IKCB biogenic COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)C 33706622 XRMPCAUYRTVBNJ-NVMNQCDNSA-N 437.945 5.681 10 40 IKCB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)N(C)Cc3ccccc3O)cc12 65625329 BFOVVJSOGDYLAK-UHFFFAOYSA-N 445.466 5.392 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)CC1 225656393 HNAYGYHWCCTCDO-LJQANCHMSA-N 436.625 5.097 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(/N=N/c4ccccc4)ccc3O)S2)cc1 408775368 POVMNQZUEBBPCM-QBIYVPAOSA-N 430.533 5.970 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(C3CCCCC3)c2C)C1=O 409235932 DHKQNXFQFRHYMU-CPNJWEJPSA-N 439.943 5.238 10 40 IKCB O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1c1ccc(Br)c(Cl)c1 409338265 GVRCQRONUKQTCO-HASPRUBHSA-N 436.783 6.065 10 40 IKCB CCCC[C@@H](CC)Cc1cc(/C=C2/SC(=S)N(CC)C2=O)sc1Br 1776010988 NXNWZIBAKIEINN-PKVLTRFUSA-N 446.501 6.491 10 40 IKCB CCc1ccc(S(=O)(=O)Nc2cc(Sc3ccc(C)cc3)c(O)c3ccccc23)cc1 2184841 RKJSNLQXGWPWRU-UHFFFAOYSA-N 449.597 6.368 10 40 IKCB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13639384 ALUHAIVAFPIWOB-DXIQSLLYSA-N 425.370 5.758 10 40 IKCB Cc1oc2ccc(O)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)NCc1ccccc1 101185994 OMULAHCZLIAMNR-WTYVLRPYSA-N 446.591 5.777 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccn1 224392155 NFUUQZXLZJMQBZ-DNQXCXABSA-N 443.551 5.200 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2cccc(C)c2)cc1 408763341 SDOLDXVGYCGIOB-LPYMAVHISA-N 437.326 6.145 10 40 IKCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409020962 WGRHUVPRPNWJSO-BKQORJHRSA-N 446.956 5.044 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)ccc1O 2447473 CBKCFDVYEDAZPJ-CHHVJCJISA-N 445.871 5.479 10 40 IKCB Cc1ccccc1NC(=O)c1cc2ccccc2c(CN2CC=C(c3ccccc3)CC2)c1O 13059091 SYRKHGRPLWNISC-UHFFFAOYSA-N 448.566 6.395 10 40 IKCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\Nc2ccc(Cl)cc2)cc1 13647042 IDMDGOKZBTWRNC-STZFKDTASA-N 448.866 5.004 10 40 IKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1 101623852 ZVLQXKVCSYXJEY-UYRXBGFRSA-N 442.997 5.328 10 40 IKCB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1c3c(n4ccccc14)C(=O)c1ccccc1C3=O)C2 102824532 LBLNXFXDMUUCNF-PFBLUPFPSA-N 427.500 5.086 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222874052 YTYBKBREKSJABO-VXKWHMMOSA-N 425.001 5.525 10 40 IKCB N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 8691120 NGVUEBALZWISSV-SCORJZKRSA-N 431.904 5.904 10 40 IKCB aggregator Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1-c1ccc(OC(F)F)cc1 13131732 JBSGCSNXEKVBSL-UHFFFAOYSA-N 441.503 5.557 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225656166 YNWAPMCMAAEFKM-GOSISDBHSA-N 425.598 5.147 10 40 IKCB CCCCCCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 408539454 HVEIGJGURBTNKP-ZHZULCJRSA-N 426.944 6.114 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3O)C2=O)cc1OC 408762703 FTMRDMFZTFRINL-QGOAFFKASA-N 433.891 5.534 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1 408859099 SRYXACJPQSOKOX-BUVRLJJBSA-N 430.935 6.342 10 40 IKCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 1160765 TUJZBCBYSOLHBZ-CPNJWEJPSA-N 445.431 5.232 10 40 IKCB Clc1cccc([C@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)c1Cl 1995045 RPFZUFVCTNLFBZ-RVPKQNPDSA-N 442.127 6.425 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1Cl 8819674 QBIJWHOKCOFBRR-CYVLTUHYSA-N 445.009 5.740 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)cc1 16678569 SKIZEEMLIIXRKW-UHFFFAOYSA-N 443.547 5.975 10 40 IKCB COc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 409150750 DJYHRQDVYMGMAQ-SIFCLUCFSA-N 444.325 5.299 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 653813 UTOGTYXOAIPUSN-ULJHMMPZSA-N 439.511 5.138 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(O)=NC2=S)c1 843360 WWIRNQBRUYYGRR-OEAKJJBVSA-N 443.572 5.691 10 40 IKCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(F)cc1 1182814 NUFLEIWYRZPIQN-SFQUDFHCSA-N 434.945 5.099 10 40 IKCB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 2247665 ILPKCRXMXPWIEI-AUWJEWJLSA-N 434.291 6.418 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 408723947 AVEMDPMEXGWTAZ-RCCKNPSSSA-N 447.537 5.320 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 408845346 WCZZNCHEPACMBN-LDADJPATSA-N 443.753 5.999 10 40 IKCB Brc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 409152912 GNZHSXIVFVUGBX-SLSDLSHTSA-N 448.429 7.568 10 40 IKCB COc1cc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)cc(Br)c1OC 409170112 SZEIUUVBQHVDJL-MNVSYLFESA-N 444.325 5.299 10 40 IKCB COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1OC 409346233 NAQQMNDRGPHXAL-NVNXTCNLSA-N 426.346 5.416 10 40 IKCB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 2084392 UOTONDINSBJZLF-HSZRJFAPSA-N 449.624 6.170 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c1 2161975 BWZFGIAKDYDOGS-QRVIBDJDSA-N 434.536 6.087 10 40 IKCB CCN(CC)c1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)cc1 6417492 NLELBJMXLVRQLV-JTSKRJEESA-N 425.642 6.564 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1 9295733 FWDBQSSDNWFRQD-XKZIYDEJSA-N 436.508 5.478 10 40 IKCB O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1cccc(F)c1 20324584 BTDUYSGFPAQRSR-PDGQHHTCSA-N 427.547 6.117 10 40 IKCB CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1 34378689 ZTMMVYIGNQPLLY-MJBUPYINSA-N 433.581 5.322 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(Cc4ccccc4Cl)ccc3O)C(=O)N=C2S1 41083428 TVPJNSNIOVFERS-YXBAXSDQSA-N 438.940 5.056 10 40 IKCB Nc1ccc(/N=N/c2ccc(/N=N\c3ccc(/[N+]([O-])=N\c4ccc(N)cc4)cc3)cc2)cc1 100368247 VZUJZZLOFGSASY-DNYSZOEGSA-N 436.479 7.608 10 40 IKCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C2=O)cc1 208305775 HJHFRUGTUQLLQB-HINJULBWSA-N 445.563 5.028 10 40 IKCB CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C 223568171 BHNNOWHNQHYSEZ-RIWZNOJBSA-N 435.543 5.419 10 40 IKCB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260619556 NVMZVYUVPLPGQB-UZINWLIJSA-N 436.640 6.255 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)c1 408739963 HAWJFOJBCNNQAE-WJDWOHSUSA-N 441.270 5.228 10 40 IKCB O=C1/C(=C/c2cccn2-c2cccc(Br)c2)SC(=S)N1c1ccccc1 409020537 QGWCNCDGGLGFBL-AQTBWJFISA-N 441.375 5.646 10 40 IKCB CC(C)(C)C1(C)OC(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)O1 2373549 RKMQFDQWRCUEPI-UHFFFAOYSA-N 437.923 5.589 10 40 IKCB Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 2381784 XCXJVQOKZVYAGE-JXAWBTAJSA-N 430.620 5.457 10 40 IKCB Cc1ccc(Sc2c(C(=O)Nc3ccccc3)ccc3c2C(=O)c2ccccc2C3=O)cc1 12461910 FQWUHRXDCOHSBF-UHFFFAOYSA-N 449.531 6.174 10 40 IKCB CC(C)n1ncc2c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc(-c3ccccc3)nc21 12606667 KSISPKZUFVLHPC-UHFFFAOYSA-N 427.552 5.017 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N=C2S1 30721854 AMGNVMMQDCCWBX-GQFJHEMJSA-N 447.347 5.919 10 40 IKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1c2ccccc2cc2ccccc12 33818232 DUGGGPTZEUOULX-LYBHJNIJSA-N 440.498 7.767 10 40 IKCB O=C(c1cccc(Br)c1)N(Cc1ccccc1O)c1cccc2ccccc12 95470292 SSYWYWFFBNZOLF-UHFFFAOYSA-N 432.317 6.155 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222918399 FOCWWRXNRKYHCX-JWQCQUIFSA-N 432.637 5.680 10 40 IKCB CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 408901527 YNWNMSQWKDBYTD-XSFVSMFZSA-N 443.890 5.134 10 40 IKCB CN(C)c1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1Br 408975783 NJTYUAMGQAFBKN-GIJQJNRQSA-N 429.358 5.028 10 40 IKCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(/N=N/c3ccccc3)cc2)cc1 409094942 GOFJMZGJVDIBSM-BYYHNAKLSA-N 425.488 6.586 10 40 IKCB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 409184152 XHONNLMAKGZUEG-KGENOOAVSA-N 448.569 5.173 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1cccc(F)c1 409347548 MOZGILIBHYHAKP-WQRHYEAKSA-N 449.450 6.510 10 40 IKCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1 1250028 LAHVCINDJPPVDR-UHFFFAOYSA-N 431.388 6.060 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 16031646 IYFBLMBSWRSJAH-SKTBBKMWSA-N 432.608 5.441 10 40 IKCB biogenic Cc1ccc(C(=O)c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)c(N3CCOCC3)s2)cc1 16292088 PFUBRYTXNLVDSC-WCWDXBQESA-N 436.493 5.448 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(Cl)c1Cl 38204891 LXOFOWJDYVPFPM-AQTBWJFISA-N 438.310 6.024 10 40 IKCB COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 58845845 GPMBHCNIJZMQDH-PPJWLVRDSA-N 446.572 5.631 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3cccc5ccccc35)N4)sc2c1 58851103 IYYDNRKJBUXULP-VTYUZOFQSA-N 444.603 8.251 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCOC)c1C 223052162 VPFRECQFFDFVDQ-DQEYMECFSA-N 448.636 5.061 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1F 223344679 IXOZCEQGNHPEOB-RPWUZVMVSA-N 446.551 5.394 10 40 IKCB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O 408641459 LRFGAXDTIDKLDM-OAQYLSRUSA-N 436.511 5.932 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2Cl)cc1 408762641 FKIJEURDXVWPON-XQNSMLJCSA-N 431.923 5.249 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c1C 408959535 APRVWQGLHWLGKG-UCQKPKSFSA-N 431.511 5.197 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)OC)cc3C)C2=O)cc1 408984239 FVNINZUTSMEJCJ-HAVVHWLPSA-N 439.511 5.652 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)SC2=S)c(C)c1 409342561 FQOKRAFTKCZABG-QGMBQPNBSA-N 443.391 5.953 10 40 IKCB Cc1cc(N[C@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1 1796245 DBNBCVVSGQMOIV-XMMPIXPASA-N 435.612 6.551 10 40 IKCB Cc1cccc(Nc2scc(-c3ccc(Cl)cc3Cl)[n+]2-c2cccc(C)c2)c1 1994181 OPOHFDAJXGDFNL-UHFFFAOYSA-O 426.392 7.359 10 40 IKCB O=C1/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC(=S)N1c1ccccc1F 2604116 SENBELCKSJBULL-NBVRZTHBSA-N 441.487 5.646 10 40 IKCB CCCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 12653911 BKXUGAULVIPQRU-ZQHSETAFSA-N 445.519 6.467 10 40 IKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N3C[C@@H]1CC=C[C@H]21 13712373 LTANIYNVENJTCN-BAYIDGNKSA-N 446.388 6.546 10 40 IKCB Cc1ccc(COc2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)cc2)cc1 59135108 WTDDFVHEIMGBTL-HYARGMPZSA-N 430.435 5.220 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Cl)cc1 208694863 VCBHBOVMJAHUFG-WQRHYEAKSA-N 442.905 5.914 10 40 IKCB O=C(O)/C(=C\c1ccc(N2CCCC2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408635047 XFQUSCCICRQQQN-QGOAFFKASA-N 427.913 5.208 10 40 IKCB COc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)N1c1ccccc1 408842776 KUGMBDYDOKNQBL-HMMYKYKNSA-N 433.305 5.292 10 40 IKCB Cc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C 408875619 KSWQDZOACOPMGT-XKZIYDEJSA-N 436.964 6.292 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 409367430 YOANRNSZLSVGIX-ZDLGFXPLSA-N 430.287 5.073 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)c1 409381071 RNTJCYRJNKLAHZ-OMCISZLKSA-N 448.352 5.814 10 40 IKCB CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 1301097 IFHPYKZOWCTJPW-HMAPJEAMSA-N 447.922 5.181 10 40 IKCB O=C1/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC(=S)N1c1ccc(F)cc1 2371170 XNXMRAKPRJAOJP-XSFVSMFZSA-N 441.487 5.646 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2700768 YGLUYWUCUITNSZ-DHDCSXOGSA-N 442.345 5.319 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Br 16292257 LBMRWEYIRAWNNX-YVLHZVERSA-N 434.380 5.168 10 40 IKCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c2C)cc1 16687899 OHWWNQZULSLVNS-JLPGSUDCSA-N 427.504 5.077 10 40 IKCB O=C1/C(=C/C2=Cc3ccccc3O[C@H]2c2ccccc2)SC(=S)N1C[C@H]1CCCO1 16779304 AEGRPEZBLVBOQF-GFTZZFHESA-N 435.570 5.127 10 40 IKCB Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 33609882 YZMSKOBMYPSKQH-JCMHNJIXSA-N 440.540 5.158 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 59959272 XJYAMTOHKXLTPJ-PDGQHHTCSA-N 430.331 5.994 10 40 IKCB CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)C2CC2)[C@H]3c2ccc(N(C)C)cc2)cc1 83854254 SNHJMGYXUINGNB-WKCYVGFOSA-N 442.607 5.352 10 40 IKCB O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N\c3c(O)ccc4ccccc34)cc2)cc1 100589771 LEYJJTBJCFGAQN-RIIXPHEHSA-N 432.461 6.623 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1Cl 222743404 YEUTZILAQZPLOZ-WOJBJXKFSA-N 431.392 5.398 10 40 IKCB CCOC(=O)c1c(CSc2ccc(OCC)cc2)oc2ccc(O)c(CN(C)C)c12 1253221 KSMUZOUHGIFRMO-UHFFFAOYSA-N 429.538 5.068 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 2198739 UJWBISMYNHUKSX-GZTJUZNOSA-N 437.795 5.015 10 40 IKCB CCN(CC)CCC[C@@H](C)Nc1c2cc(OC)cc(C)c2nc2c(C)c(Cl)ccc12 5807593 YVKWDYYNICMEEA-QGZVFWFLSA-N 428.020 6.589 10 40 IKCB O=C(O)c1cc(N2C(=O)/C(=C\c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1Cl 9262084 DMWXCVMVLFOJNO-ATVHPVEESA-N 436.294 6.163 10 40 IKCB O=C1/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)C(O)=NN1c1ccccc1 9925862 BEDFKBJEQSTTFJ-AQTBWJFISA-N 439.298 5.874 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1 16678571 CPILNXOFNWWXAR-UHFFFAOYSA-N 449.938 6.012 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 30696384 DJLYPWCDVFJHOY-YIFJCWOOSA-N 442.456 5.159 10 40 IKCB Cc1ccc(Cl)cc1NC1=NC(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S1 208194798 JCPYAJWVKWQKRD-SYZMQFJCSA-N 440.012 6.453 10 40 IKCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223058566 YCMJVWMXFOYGJA-DQEYMECFSA-N 448.636 5.115 10 40 IKCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223058745 YCMJVWMXFOYGJA-JWQCQUIFSA-N 448.636 5.115 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)cc1 408892118 GHVWQGVZKYTNLB-PDGQHHTCSA-N 446.728 5.370 10 40 IKCB CC(C)(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408985969 OGKSDJHFKVCNRM-HMMYKYKNSA-N 448.393 7.762 10 40 IKCB COc1ccc(/C=C2/SC(=O)N(CCCCCC(=O)Nc3ccccc3)C2=S)cc1 11667034 ZISBEVMTVWDHTH-CAPFRKAQSA-N 440.590 5.731 10 40 IKCB CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 14480440 QJOMMBHILLUQBH-PPJWLVRDSA-N 446.572 5.713 10 40 IKCB Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 58846301 CLWHSMPCSFDCEO-QHWMMSMNSA-N 444.600 6.239 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222969764 CEETWIJNBKDDCX-LOSJGSFVSA-N 432.637 5.879 10 40 IKCB CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 408776711 PWQAJUAICZBAOO-OQLLNIDSSA-N 436.817 5.149 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1C 409329153 DCJAUIKTKRGSAJ-UDWIEESQSA-N 436.514 5.877 10 40 IKCB O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1c1nc2cc(Cl)ccc2s1 8894554 DWOHPJKGRLQQHJ-PDGQHHTCSA-N 431.904 5.490 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1 9293438 ZXIOPPYSRVEBQG-PGCFBHMESA-N 449.580 5.302 10 40 IKCB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(OC(F)(F)F)cc1)CO3 20934040 YWEDFULSNAWDNP-UHFFFAOYSA-N 439.389 5.715 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 222772282 ZAPCYLMJHUUDAN-SFTDATJTSA-N 427.017 5.359 10 40 IKCB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 222937662 PNZIDHDSCUSQIB-HFZDXXHNSA-N 436.640 6.255 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2cccc(Br)c2)cc1 408841551 JQORNPMSACYQIS-HYARGMPZSA-N 447.332 5.601 10 40 IKCB CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O 409338665 NYTUBWQMBJAUJM-GZTJUZNOSA-N 434.380 5.562 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(OC)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21 4199914 JEBCZXMFVXGEIS-BIENJYKASA-N 431.286 5.201 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 8435247 MTOGYYHZWXZMBK-BVMUCEKZSA-N 442.515 5.666 10 40 IKCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccccc1I 59417960 BOSQQVGTLBNJBN-FLIHGVEMSA-N 449.338 5.253 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)C1 260742725 YHJTUDIASANRNU-RBUKOAKNSA-N 436.625 5.097 10 40 IKCB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)cc1 408737882 YXNPWCNKTSFSTO-ZPSYUOPISA-N 426.560 6.889 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccc(Br)c2)c1C 408902673 PQHURPUXCYMGPN-LPYMAVHISA-N 434.337 5.663 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409057292 JPAFZGKTHVCXLH-QNGOZBTKSA-N 444.506 5.419 10 40 IKCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1 409125768 AWDOQASZCLLFPG-STZFKDTASA-N 448.931 5.319 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl 409238161 WADWZFRAYGQEKC-JXCQQFQQSA-N 447.318 5.146 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 409314021 DUDPCSLWQCIXOM-AUWJEWJLSA-N 440.685 5.663 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC 409330596 KXSVDGDGXWQOOI-ODLFYWEKSA-N 449.981 5.552 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1C 9471595 UJEGQGRVFWWBFA-XKZIYDEJSA-N 447.922 5.031 10 40 IKCB CC(=O)c1cc(-c2ccccc2)n(-c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)c1C 9526119 PPBPOEKENAKYEK-UHFFFAOYSA-N 437.495 5.695 10 40 IKCB COc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2SCc2ccc(Cl)cc2)cc1 9972248 SFBYTWYGJXQRQR-JCMHNJIXSA-N 449.963 5.938 10 40 IKCB COc1ccc(N(c2ccc(OC)cc2)c2ccc(/N=N/c3ccc(C)cc3)s2)cc1 16291646 RALHJFAVSDLERM-CYYJNZCTSA-N 429.545 7.959 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2c(OCC)cccc12 409076313 AMKNFSDDLGNZHT-FPXKJXHESA-N 443.590 5.017 10 40 IKCB CCN(CC)CCNc1nc(-c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cs1 3455809 NSPCKKCZUCKKNB-UHFFFAOYSA-N 436.547 5.990 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 9188473 JMSBOMNRCUNUSZ-HAHDFKILSA-N 431.582 6.288 10 40 IKCB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1cccc(F)c1 9209124 OVTCXBPOLJHOHA-UHFFFAOYSA-N 447.539 5.197 10 40 IKCB CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 33656039 KTOXWMUPMZQOEM-NPRIEWAGSA-N 444.578 6.272 10 40 IKCB Cc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 59484759 DUKGGWALEJSNOQ-XIEYBQDHSA-N 446.506 6.040 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21 260924121 RRXCWULYLXFHOG-LOSJGSFVSA-N 446.664 6.019 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc12 409178179 FKGGZXXCBRBUEK-VXLYETTFSA-N 429.925 6.047 10 40 IKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)c2ccccc21 409198825 FSJUYDQENIMOBC-HYARGMPZSA-N 449.392 6.381 10 40 IKCB COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 2057321 WODYEKSMXZVQML-XDHOZWIPSA-N 445.487 6.273 10 40 IKCB CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 2332569 JDXZMWHONBNVRE-HYTQYMIGSA-N 434.026 7.018 10 40 IKCB CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S 2678386 GXMSLUQGNBACDO-HKWRFOASSA-N 437.590 5.914 10 40 IKCB CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2c(C)cc(Br)cc12 4428981 ZASRUGBLGJMDEL-KRWDZBQOSA-N 428.418 6.381 10 40 IKCB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 8445688 ILPKCRXMXPWIEI-VGOFMYFVSA-N 434.291 6.418 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 8821494 UKYPVGCQLHGZCY-DEDYPNTBSA-N 436.514 5.823 10 40 IKCB Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 13616586 IKGQRFWXNVPSIE-OXJNMPFZSA-N 427.323 5.459 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 33721196 RFTVCPPLVTYBRX-UNOMPAQXSA-N 449.498 5.658 10 40 IKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1c(C)nn(Cc2ccccc2)c1C 59859033 IRSNWZZZGXSNNY-BKUYFWCQSA-N 433.943 5.229 10 40 IKCB S=C(NCCCN1CCCc2ccccc21)Nc1ccc(CSc2ccccc2)cc1 225745761 SQOAPVQMUQUVNI-UHFFFAOYSA-N 447.673 6.108 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C(=O)OC)C2=O)cc1 408987895 ZQZVLVNVAWHLOJ-HEHNFIMWSA-N 425.484 5.343 10 40 IKCB CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)S1 409025296 PJDVEEVGTWESJO-MTJSOVHGSA-N 436.920 5.179 10 40 IKCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br 409080321 NBNGNAOVAOOMGF-RGEXLXHISA-N 433.305 5.292 10 40 IKCB Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1-c1ccccc1 3365343 QOWAETKKSMBEKP-UHFFFAOYSA-N 438.553 5.803 10 40 IKCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1[N+](=O)[O-] 8384993 LEVAFKURWQIKSD-MHWRWJLKSA-N 447.322 5.554 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1C 8450659 CNWYNTNPJSUWKO-QCIUGURRSA-N 433.581 5.376 10 40 IKCB Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 9444609 FFTKTSQZKIYYOU-QGOAFFKASA-N 430.982 5.269 10 40 IKCB O=C(NCc1ccc(N2CCCC2)cc1)c1[nH]c2ccc(Br)cc2c1Cl 95367814 CKDGFUFAZNAITM-UHFFFAOYSA-N 432.749 5.114 10 40 IKCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 101693066 JYWBBHQMIZZTQG-BSRJHKFKSA-N 427.375 6.446 10 40 IKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)c(Cl)c2)N1 408874476 CGNYVAHYGXPRPH-IYPVNNRCSA-N 446.333 6.595 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OC(C)C 408905185 UWAXUZPZNDHEEU-WOJGMQOQSA-N 443.341 5.441 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409015737 QGPDVCBDAMVRKY-ULJHMMPZSA-N 431.532 5.271 10 40 IKCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C1CCCCC1 409237770 LQDDXISJQHTKFT-HZHRSRAPSA-N 449.620 5.565 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(F)c1 223344940 MYJZDWBTZCMVDD-RPWUZVMVSA-N 446.551 5.394 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 409343322 GPSUXQWGHAIRRC-MDBUFAAASA-N 444.534 5.187 10 40 IKCB CCN(CCCC(=O)O)c1ccc(/N=N/c2ccc(/N=N/c3ccccc3C)cc2C)cc1 526051552 LGMARXXYARYKSC-ZKIWJVNISA-N 443.551 7.825 10 40 IKCB CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1 8590015 NHVDPRSTVDGZQG-UHFFFAOYSA-N 442.309 5.101 10 40 IKCB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)cc1 15011950 AFTNTXWVUHNCCI-HAVVHWLPSA-N 428.488 5.710 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 23382741 PLAIEIXVHBMPDU-BUVRLJJBSA-N 445.538 5.624 10 40 IKCB C[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 33396863 NWAPFUHJSAIMPZ-PAJXCOJRSA-N 431.582 6.228 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC1=S 38168696 PPMFQRRARUFIAX-HKWRFOASSA-N 437.524 5.815 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1 57316917 FHTHNPSINGICMV-AFESJLNVSA-N 427.032 6.055 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1 112292122 STZTZDJJRZIVGZ-QNGOZBTKSA-N 438.984 5.559 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 222791662 XDCSIVILOGXIOD-YADHBBJMSA-N 425.001 5.443 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222964551 BYPBIKMZPNPRMC-PKTZIBPZSA-N 439.028 5.915 10 40 IKCB C[C@H](NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 225667790 DOOOULMMVZWMPQ-CVEARBPZSA-N 432.431 5.733 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 408752618 FITGFMZMLKTZIX-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 408781678 FAIYRCYKQKUZFX-MFUBYVTQSA-N 448.548 5.164 10 40 IKCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2c(OC(C)C)ccc3ccccc23)C1=O 408819607 ZPIDORGBAOVRRI-DEDYPNTBSA-N 448.906 5.255 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3C)SC2=S)cc1Cl 409342026 BDKAPRHIWMHZHU-UDWIEESQSA-N 445.009 5.663 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC 409342081 BTFXIKTVOLQRGN-ZHZULCJRSA-N 429.563 5.289 10 40 IKCB S=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(c2cccc3ccccc23)CC1 1471409 YFUDQDBNCOPHCK-UHFFFAOYSA-N 432.976 6.251 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N=C2S1 9144604 KWZBZSBWKBZRIV-XMXHIQRUSA-N 447.347 6.063 10 40 IKCB Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 58845787 XRYRTHXOJHSDGG-PPJWLVRDSA-N 430.573 5.931 10 40 IKCB Cc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 58866082 CTVJXRRMROGVJR-UHFFFAOYSA-N 427.500 5.515 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 222880718 OLSNNKKXQDERNI-XZOQPEGZSA-N 439.028 5.833 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21 260918028 KTCVTZFCZUEMGM-DQEYMECFSA-N 440.616 5.890 10 40 IKCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 408739043 RYXKNDQLAXGRJD-XMHGGMMESA-N 446.300 5.619 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C=C(c4ccc(C(C)(C)C)cc4)OC3=O)c2C)c1 408757164 VESZDCQJXSHHOV-LFVJCYFKSA-N 425.572 6.990 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 1273117 KKBMDVVBOMDLMV-BKUYFWCQSA-N 449.963 5.299 10 40 IKCB CC[C@H](c1ccc(O)c(CN(CC)CC)c1)[C@@H](CC)c1ccc(O)c(CN(CC)CC)c1 4429820 KLAAJAVVGWYOPE-WMPKNSHKSA-N 440.672 6.469 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc(Cl)c1O 15930714 UDGKUBWCQROJAB-VIZOYTHASA-N 435.705 5.013 10 40 IKCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223105164 LLHYPQHLXHIGOU-BJKOFHAPSA-N 445.636 5.498 10 40 IKCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3F)cc2)C1 225691319 AULMIIAJXMNESE-AWEZNQCLSA-N 436.394 5.311 10 40 IKCB CCCCOc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 2158613 HCXASTIFXLOUQQ-UHFFFAOYSA-N 427.500 5.995 10 40 IKCB biogenic COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 14010547 NZIXQECPBYQYDO-JCMHNJIXSA-N 444.506 5.419 10 40 IKCB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNCc3cc([N+](=O)[O-])ccc3O)CCC[C@@]21C 33680487 ZBMNCDSLPYJJTF-PVHODMMVSA-N 436.596 6.224 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222619687 YKXBYXVUZZMYIS-MPMWTEJESA-N 437.012 6.040 10 40 IKCB S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccc(CSc2ccccc2)cc1 225416701 AGCXPHANNBKMPF-UHFFFAOYSA-N 447.673 6.456 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 408902202 LTLZGRNFRFAZHO-LFVJCYFKSA-N 439.946 6.458 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408966487 LXHNJHJOGRIYOT-IWIPYMOSSA-N 445.538 5.624 10 40 IKCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCCC(=O)N1CCCc2ccccc21 8820508 LSUFPSHVNVFWMP-CNYFCZIJSA-N 448.613 5.204 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 9293418 KSVWOSKYXYGMFV-YUVHXDDYSA-N 439.972 5.331 10 40 IKCB Cc1cc(-c2csc(NC(=O)Cc3ccsc3)n2)c(C)n1-c1ccc2c(c1)OCO2 13132085 JNFFPIYSUNIWBZ-UHFFFAOYSA-N 437.546 5.189 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2c(c1)OCO2 13148385 KJLWORVJHRRGAE-UHFFFAOYSA-N 446.286 5.169 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccccc1 13896483 AGDPKLYVQLXSRM-STZFKDTASA-N 437.973 6.325 10 40 IKCB CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1OCC 15015721 GIWMLLDBFDPOEQ-XMMPIXPASA-N 429.520 5.643 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 16678617 NTPOVEWAAPUOHZ-UHFFFAOYSA-N 430.464 5.502 10 40 IKCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cc(C)cc(C)c2)cc1 19634194 YBKRJNRNZMTIQT-PLRJNAJWSA-N 441.531 5.458 10 40 IKCB CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C 208512220 DDKWJDZBBVHLQN-BKUYFWCQSA-N 435.955 5.455 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br 408742128 NFGNJEBTWNQZIK-MDWZMJQESA-N 436.099 5.202 10 40 IKCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O 409130680 UDCLWZQDENTQIJ-YVLHZVERSA-N 433.371 5.530 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1 2259025 ZIFKMVZTHATSNK-UNOMPAQXSA-N 445.487 6.680 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 9076596 HMELNVRBDFFHHJ-SVTVQYSDSA-N 441.531 5.274 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 13547366 IERDFGLGOZDOFI-HAHDFKILSA-N 447.581 5.988 10 40 IKCB 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448.491 5.921 10 40 IKCB COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCC(=O)Nc1ccccc1 802575 LQIYJKXTATVKOK-UHFFFAOYSA-N 425.488 5.402 10 40 IKCB CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2cc(OC)c(OC)cc12 6382048 BRGGGILPNYRZIN-MRXNPFEDSA-N 429.992 5.981 10 40 IKCB CCN(CC)c1ccc(/N=N/c2nccs2)c(NS(=O)(=O)c2ccc(C)cc2)c1 8398194 KZACORBSIVSIEM-GHVJWSGMSA-N 429.571 5.514 10 40 IKCB COc1ccc(CCN2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)cc1OC 8821604 GGNPRWBUFSWUHS-PUKSVNQNSA-N 445.993 5.270 10 40 IKCB CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 16033707 HXHIWHPHFWOLRQ-KKUQBAQOSA-N 433.507 5.017 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1nc2ccccc2s1 27496948 HLQXXDXFEOAFAB-GEJZQBIKSA-N 432.534 5.603 10 40 IKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 36080679 CIKLEVXLEUJAEO-KHVXQDHOSA-N 429.947 6.948 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(OCc2cccc3ccccc23)c1 58865644 QTHCFFXGUUZFGY-UHFFFAOYSA-N 428.484 5.563 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222619632 YKXBYXVUZZMYIS-UQDCGMOVSA-N 437.012 6.040 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1Br 408588987 XPUBLEAYGACVQD-YBEGLDIGSA-N 446.728 5.288 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1C 408772822 RQXWEFJPNSUICA-FYJGNVAPSA-N 447.922 5.031 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)cc1 408840648 DUGRTONIEAOHNM-KGENOOAVSA-N 435.296 5.731 10 40 IKCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408901993 JQVSEXNRZSJXDJ-KGENOOAVSA-N 448.569 5.287 10 40 IKCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1Cl 408903483 YLZBNTDYFWSIJG-LPYMAVHISA-N 447.922 5.340 10 40 IKCB O=C(CSc1ncc(-c2ccc(Cl)cc2)n1CCc1ccccc1)N1CCCC1 1339997 XGYSXIDRTQICRO-UHFFFAOYSA-N 425.985 5.161 10 40 IKCB Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1669954 AMTWUDMKCXRHLJ-DMMSUNFISA-N 449.984 6.745 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 8453476 ZLDAHPXUGYLZLW-SMTYPRMSSA-N 441.560 5.523 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1Cc1ccco1 8821523 DXGSWBWWPOMYIW-RQZCQDPDSA-N 446.893 5.503 10 40 IKCB N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 9309940 YJPMNTPTLULLSS-SCORJZKRSA-N 431.904 5.904 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Br)c1 16682876 BZPSMRYVNCATOC-MOSHPQCFSA-N 440.337 5.333 10 40 IKCB CCN(CC)c1ccc(CN(C(=O)c2oc3cc(C)cc(C)c3c2C)c2ccccn2)cc1 28580808 YLKFMVXKLBBQCW-UHFFFAOYSA-N 441.575 6.446 10 40 IKCB CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 33924725 KUBKZZKAHBJWCU-OIYMOPNQSA-N 447.608 5.992 10 40 IKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 36080677 COKZTORHHRKZPF-DXBVXKBHSA-N 440.499 6.203 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 44853963 YKPVUCYTANCXTD-QPPBQGQZSA-N 437.603 5.151 10 40 IKCB CC(C)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1 59198518 ZXAOLJAZJMXUTK-GZTJUZNOSA-N 429.339 5.244 10 40 IKCB O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c1 106687209 VAAKTVBWGJBXHN-ODLFYWEKSA-N 439.876 5.535 10 40 IKCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c1 208230439 NTKPWPZOCPPJEF-ZFJBLLOBSA-N 445.563 5.000 10 40 IKCB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577995 RPSBPPSUFWMDRP-IZVMNLJQSA-N 430.592 6.111 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(C(C)=O)c3)C2=O)cc1 408753014 KSFFEWPQVAAIIK-STZFKDTASA-N 429.903 6.023 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2sc3ccccc3c2Cl)c1 408759908 NUACQVWNZLWRSX-XSFVSMFZSA-N 446.934 6.837 10 40 IKCB CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)c2ccccc21 409206559 WZSHFRZHRLXXNR-XSFVSMFZSA-N 430.910 6.389 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@@H](C)CC 409328928 AONMCJQRNGHXTH-CPEHUTGBSA-N 441.618 6.285 10 40 IKCB CC(C)Oc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1Br 409330001 ITXAMIYGKQUEEX-GZTJUZNOSA-N 440.428 5.770 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O[C@@H](C)CC 409338622 NDLFQERVNCWTNJ-JTMDUIFQSA-N 443.590 5.677 10 40 IKCB COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2160087 PBZVRCLPTQOKRA-UHFFFAOYSA-N 448.744 6.008 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc([C@H](C)CC)cc4)c3C)C(=O)N=C2S1 9282691 XPLBCQXZVHGDCB-TXYXZVOHSA-N 433.581 5.637 10 40 IKCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 19634186 SGTKRAVDCHFPNE-BWAHOGKJSA-N 441.531 5.403 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1 19643513 WELWYSJDHRBOJH-UHFFFAOYSA-N 445.519 5.611 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c1 59135925 VGTJXULBSOWIPO-CPNJWEJPSA-N 433.508 5.213 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1c(Cl)cccc1Cl 214808740 UJIBLHNTMSAMNX-XDHOZWIPSA-N 449.359 5.067 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c(C)c1 222835199 JBJWVOCMAGRSQX-UKILVPOCSA-N 432.637 5.795 10 40 IKCB COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 226797257 QXNZFKVUXOSUBA-WOIUINJBSA-N 441.369 5.042 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 408935929 FEPQJQDKXFPTPD-HZHRSRAPSA-N 430.891 5.361 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(F)cc1F 408983779 CNRCHSJKZWUPHB-MHWRWJLKSA-N 428.265 6.743 10 40 IKCB CC(C)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)SC1=S 409044501 GSLOVALNUALKRO-GRSHGNNSSA-N 435.973 5.915 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 409154528 KGPOYMYHPINURS-UZINWLIJSA-N 427.569 6.812 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 409320377 CXPRBTYKYLMLCB-QPEQYQDCSA-N 440.685 5.663 10 40 IKCB CCCN(CCC)c1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2742779 XTMOYANYUNRLFM-RUZDIDTESA-N 426.564 6.163 10 40 IKCB Cc1oc2ccc(O)c(CN3CCC[C@@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C 5182612 KOVODEPKOKLRNT-CQSZACIVSA-N 426.944 5.893 10 40 IKCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 8820785 OMPHHAQUSAIDBK-BKUYFWCQSA-N 436.920 5.707 10 40 IKCB c1ccc(/N=N/Nc2cc(N/N=N/c3ccccc3)nc(N/N=N/c3ccccc3)n2)cc1 15922406 GIAXYVBJLKZQPJ-UHFFFAOYSA-N 437.471 6.809 10 40 IKCB O=S(=O)(O)c1ccc2c(/N=N\c3ccc(/N=N/c4ccccc4)cc3)c(O)ccc2c1 104388958 ANKNQAUREHXSDZ-RIIXPHEHSA-N 432.461 6.623 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1Cc1ccccc1 200282227 WATXFPFHTKJSJX-UNOMPAQXSA-N 445.487 6.367 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Cl)c3C)N21 222697343 GBSFSEJTVGCJNS-JJEOQYAHSA-N 437.012 6.122 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(C)cc2)cc1 408996107 ODBWTRNJSIVYAU-ZXVVBBHZSA-N 432.523 6.381 10 40 IKCB O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1C[C@H]1CCCO1 409087616 CJSCNHNCQSVYRZ-UUMRFZBWSA-N 434.586 5.070 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 409342647 CBGJCGATYDQYMM-XSFVSMFZSA-N 429.563 5.289 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)c1 409342784 FJOCIGZQUZZXNW-HYARGMPZSA-N 449.622 6.393 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 8435249 MTOGYYHZWXZMBK-AIQNWGLSSA-N 442.515 5.666 10 40 IKCB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Cl)c2O)N3)C1 8920001 CONJMRGDCCHTBY-YPMLDQLKSA-N 439.408 6.731 10 40 IKCB CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 34745426 HMZIREAXIRDXHK-KBOJLBFHSA-N 437.544 5.289 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)cc1 58845906 IMCSHUNNPVJYOZ-PPJWLVRDSA-N 430.573 5.931 10 40 IKCB COc1ccc(C(=O)Oc2ccc(C3Nc4cccc5cccc(c45)N3)cc2OC)cc1 70453984 OUYCNEPYTVHPML-UHFFFAOYSA-N 426.472 5.612 10 40 IKCB CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)O2)cc1 83262031 XMCJCQDAHPZPPD-SFQUDFHCSA-N 439.338 7.532 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1 223381750 MCASXGAVHNWGTP-CLJLJLNGSA-N 438.600 5.662 10 40 IKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C 408757356 MJAFELZXMCDHNY-XKZIYDEJSA-N 432.955 5.874 10 40 IKCB O=C1/C(=C/c2ccc(Sc3ccccc3)o2)SC(=S)N1c1ccc2c(c1)OCO2 409352157 WOFKNMVKGWDVFC-WQRHYEAKSA-N 439.539 5.565 10 40 IKCB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=S)NCc2ccco2)cc1 920129 DLHGVZHDHGZRHV-UHFFFAOYSA-N 445.588 5.123 10 40 IKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O)=C\c1ccccc1 1268064 VQZWPIWEDOSQMV-UVBZOIGOSA-N 436.602 5.398 10 40 IKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)cc1 2097932 CDRPREWFAAIKMU-VXQMPNGUSA-N 436.596 5.050 10 40 IKCB biogenic,in-vitro CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2ccccc2C)SC1=S 2873984 JPUIINPHFXNMFJ-ZHZULCJRSA-N 448.009 5.717 10 40 IKCB O=[N+]([O-])c1cccc([C@H]2[C@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)c1 6444723 YBSJBYCBSDKPCS-WPUDHWPRSA-N 449.348 6.252 10 40 IKCB CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 8734931 XBGPSIQAWCQIJE-VWLOTQADSA-N 436.515 5.251 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C 8872595 QCAPKOZUNIGPPX-UCQKPKSFSA-N 444.531 5.177 10 40 IKCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1 19842060 ZTUGQVFCLTYCDQ-PLRJNAJWSA-N 439.584 5.142 10 40 IKCB CCCOC(=O)CCNc1ccc(Nc2ccc(C)cc2)c2c1C(=O)c1ccccc1C2=O 28580288 RGDVWEAOQRQIQR-UHFFFAOYSA-N 442.515 5.269 10 40 IKCB CSc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 113830579 GXCWPEDBCBMXEA-UHFFFAOYSA-N 430.554 5.157 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)CC1 219688030 KVDQUWPIFUEWLM-QZTJIDSGSA-N 445.401 5.330 10 40 IKCB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 408639914 GSLAIJZGRWGQJY-JOCHJYFZSA-N 436.511 5.619 10 40 IKCB COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2 2754072 DAPUUHYIPNHVQJ-IRXDYDNUSA-N 449.613 5.584 10 40 IKCB Cc1c(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(Cl)nn1-c1ccccc1 13810577 OOUIXKKTDVGRHR-JLFKZYKSSA-N 445.935 5.138 10 40 IKCB Cc1ccccc1COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 13898591 PQXCMCKDZHUMSE-HAHDFKILSA-N 431.582 5.975 10 40 IKCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 35646305 UPQKROPZXASXBH-ZDLGFXPLSA-N 431.300 6.041 10 40 IKCB CCOc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1OC 48262282 BWFPXOXSVHVMPR-UHFFFAOYSA-N 442.943 5.249 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(OCc2cccc3ccccc23)cc1 208685287 DYZXXIOONUSZAM-UQQQWYQISA-N 436.536 6.501 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Br)cc2)cc1 408841754 KUFSTUYXBFPBRD-KGENOOAVSA-N 435.296 5.731 10 40 IKCB Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c(C)c1 408966298 ZJXMXRICDHYVNO-HYARGMPZSA-N 432.614 6.425 10 40 IKCB O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1cccc(Cl)c1 408976576 ROTMVXVKVCCRSQ-UHFFFAOYSA-N 433.898 6.995 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409340127 QUVLYMVSIUWKGE-KGENOOAVSA-N 427.591 5.897 10 40 IKCB COc1ccc(-c2csc(Nc3ccccc3)[n+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 1466364 QKZRRGSYSBVQHQ-QHCPKHFHSA-O 448.524 5.097 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 9128856 PNLBZHGDVCDDDC-XNTDXEJSSA-N 441.452 5.031 10 40 IKCB CN(C)c1ccc(/C=C2\S[C@H](c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 32597795 DBUNPJIDBGGFBP-DLBLZJNESA-N 436.964 5.931 10 40 IKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222918778 UHAQPZDHJYOUPH-LOSJGSFVSA-N 432.637 5.680 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1O 224167069 VKPGTMZADCGZHG-JWQCQUIFSA-N 440.572 5.372 10 40 IKCB Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Br 225655096 RDWHREUGWUSCLJ-QGZVFWFLSA-N 446.458 6.041 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1C1CCCCC1 409203724 XNQIVWULZCTTSG-PDGQHHTCSA-N 437.508 6.499 10 40 IKCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 409346160 NKQUIOUAROYUDO-MKMNVTDBSA-N 445.736 5.961 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccc(C)cc3)C(=O)N=C2O)cc1 8769858 OUWSMSPRNUFWFI-GXDFBKAQSA-N 441.531 5.229 10 40 IKCB CCOc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 35646777 JFYRBLDGDFRGJG-MOSHPQCFSA-N 435.461 5.336 10 40 IKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 102710353 WVDIMIVWIGYONS-IMWIBFENSA-N 441.402 6.836 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 222788820 FFAQNJRLTQQQRZ-NHCUHLMSSA-N 445.419 5.788 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)cc1 408783379 KVAXFFKGWQXHNL-LFVJCYFKSA-N 449.510 5.222 10 40 IKCB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)c1 408875298 IYWBKZRIGIPWEJ-HYARGMPZSA-N 444.918 5.214 10 40 IKCB CCc1cc(C)cc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)c1 13899238 AJGPLRPMGSIKFZ-HMAPJEAMSA-N 436.602 5.422 10 40 IKCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc4ccccc34)cc2)SC1=S 16741216 FZQYRYURCSJKOY-CJLVFECKSA-N 447.581 6.060 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 59484758 WWUUJMXTOJAILS-HKOYGPOVSA-N 432.479 5.732 10 40 IKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1 103917966 DCRFGEBEWMLVKE-JWGURIENSA-N 444.000 5.507 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)c1 113837620 ZYFDEOZVDFTPEW-VIZOYTHASA-N 425.318 5.616 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 408787385 ZEWZJQZNMKTYDL-GTWFGUSFSA-N 446.620 5.322 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 408793491 FNNWDLFGWFGQQK-ULJHMMPZSA-N 425.484 5.143 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1cccc(C)c1 2843958 BGVZPIIWHMSQSH-UNOMPAQXSA-N 448.009 5.847 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1ccccc1F 3398061 MZHRAPXZQPWYLC-AWEZNQCLSA-N 425.525 5.459 10 40 IKCB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 4132903 QTFBGSKBYZNYHK-BMLIUANNSA-N 435.387 5.221 10 40 IKCB COCC(=O)c1sc2nc3c(cc2c1/N=N/c1c(O)ccc2ccccc12)CCCC3 9245227 BOZPPZVGVMUZGR-CYYJNZCTSA-N 431.517 6.278 10 40 IKCB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1 15947593 BBSWTDNLAKNTGU-ZIDLFYJRSA-N 427.751 5.423 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)cc2)CC1 219238028 VHEAOWLAJFIZLB-DHIUTWEWSA-N 433.640 5.646 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 222699461 MMCNJHRNFCOQIE-GKVQRAMASA-N 432.593 5.477 10 40 IKCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223058686 YCMJVWMXFOYGJA-LOSJGSFVSA-N 448.636 5.115 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1 223381921 MCASXGAVHNWGTP-UIOOFZCWSA-N 438.600 5.662 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 408776142 ULKFLQXQZOTSQV-RISWYLRJSA-N 431.605 5.873 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408901455 FHTSNLUQCORHGZ-RNEAKCBISA-N 448.407 6.032 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1O[C@H](C)CC 409334153 UODNWIXCGDIKAM-FAPYRAKZSA-N 431.554 5.808 10 40 IKCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)o1 409345887 LTIPVCUCXPGKBZ-NDENLUEZSA-N 435.526 5.667 10 40 IKCB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 15947818 SMQKGHAPEDXRRK-DMZKTXOQSA-N 438.980 6.252 10 40 IKCB COc1ccc(COc2ccc(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc2)cc1 16293188 CKNQRKVRGCRPJQ-HAHDFKILSA-N 430.529 5.665 10 40 IKCB COc1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1 20324942 CXPNMOGQYOQCEU-UYRXBGFRSA-N 439.583 5.986 10 40 IKCB CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 22419044 AFIXGSCNDYONJF-VWLOTQADSA-N 444.579 5.077 10 40 IKCB COc1ccccc1OCCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O 33430091 DGGWVTKKKFXQRM-UYRXBGFRSA-N 449.981 5.028 10 40 IKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccc(C)c(C)c4)=NC3=O)cc2)cc1 35644960 JVZIUOHVRIPTAI-BUVRLJJBSA-N 428.557 6.273 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)CC1 218000226 SWLZAWGKHKYDOC-QFIPXVFZSA-N 444.644 6.706 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1 223343413 JNDNEBRWYLUNFX-RPBOFIJWSA-N 442.588 5.563 10 40 IKCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1 224172950 ZZWGGCOAFKCPJD-JWQCQUIFSA-N 439.588 5.370 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 408904132 FGLURQGPGYVMLE-PCLIKHOPSA-N 448.526 5.395 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F 409021497 KHXWQMNIUOHRLA-YBEGLDIGSA-N 435.829 5.544 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccco1 1168364 ODNFXBYEPPCGEM-OQLLNIDSSA-N 431.231 5.349 10 40 IKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)cc1 12411774 CDRPREWFAAIKMU-HYZYYIOASA-N 436.596 5.050 10 40 IKCB biogenic,in-vitro CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S 16805261 FAUHLPXVAPUHQB-PDGQHHTCSA-N 448.598 5.370 10 40 IKCB Oc1c(Cl)cc(Cl)cc1[C@H]1N2c3ccccc3-n3cccc3[C@@H]2[C@H]2CCCCN21 31761513 BOKCTHBMFIEXGP-MQSCRBSSSA-N 426.347 5.918 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)cc2[C@H](C)CC1(C)C 208317735 ANRPFUXEHRCXCT-NLKUQUHMSA-N 433.621 6.498 10 40 IKCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223058497 VTLGRSSVIXCKKW-ILBGXUMGSA-N 448.636 5.115 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 408779774 KFGZPFNARMSCIE-RISWYLRJSA-N 431.605 5.873 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 409231834 KXQWXUBYOCQGKF-LFVJCYFKSA-N 447.966 6.187 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1C1CCCCC1 3765767 VMZNZMOSZRNIJN-KGENOOAVSA-N 444.021 6.453 10 40 IKCB CCCCSc1nnc2c(n1)O[C@@H](c1c(O)ccc3ccccc13)Nc1ccccc1-2 8456314 JKIGBLWAOQRVAK-QFIPXVFZSA-N 430.533 5.793 10 40 IKCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1 9161384 TVFSZESFEIICSZ-ODXNEQJUSA-N 437.594 5.157 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccccc3)N(c3cccnc3)C2=O)cc1Br 9262133 LTRHGNDHUUFYPW-PDGQHHTCSA-N 433.305 5.324 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1C[C@H]1CCCO1 40006338 OXVOVKKIIGLFBG-BDBXIWDTSA-N 445.993 5.299 10 40 IKCB CCSc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c34)N2)cc1 70453964 WAMVRLSBLRSWPW-UHFFFAOYSA-N 448.595 7.341 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2Br)N1c1ccc(F)cc1 408753725 HNGKWWXJBSYSJF-LDADJPATSA-N 427.298 5.484 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1 408773708 IVLJPWMIMUZXBJ-DEDYPNTBSA-N 430.891 6.336 10 40 IKCB COc1ccc(Cl)cc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 408942075 FLIPIPZPINFHOG-UHFFFAOYSA-N 434.717 5.586 10 40 IKCB Cc1cc(C2(c3cc(C)n(-c4ccccc4)c3C)CCC(C)CC2)c(C)n1-c1ccccc1 3169953 SUXUPOLNFWJBQA-UHFFFAOYSA-N 436.643 7.998 10 40 IKCB CCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C 8456352 GYYCUOIMPSTNBY-XDHOZWIPSA-N 446.378 6.044 10 40 IKCB O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1Cc1ccco1 9849536 BDJKBZVPSGBETF-QNGOZBTKSA-N 437.542 5.139 10 40 IKCB Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@@H]3C=CC[C@@H]32)cc1 9849686 NUNRFKNXAHVCNW-KHVXQDHOSA-N 444.600 6.239 10 40 IKCB CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 13601384 KQOVBHJKSLXETN-XLNRJJMWSA-N 425.484 5.343 10 40 IKCB C/C(Nc1cccc(Br)c1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17097817 RCFIKZIEGZRRFL-PGMHBOJBSA-N 432.321 5.586 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222836349 QPCOZQDALRCEIH-GOTSBHOMSA-N 439.028 5.832 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222969307 HEZAGMQBZNXQLH-JWQCQUIFSA-N 432.637 5.879 10 40 IKCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 409138411 BIJVNLRTLHBXBL-PDGQHHTCSA-N 442.418 5.366 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 409382667 NAMAHTLBKZWLFR-YBEGLDIGSA-N 434.344 5.593 10 40 IKCB CCCCN(C)Cc1c(O)ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc12 2131421 RWZJUHUXGRRCHG-UHFFFAOYSA-N 439.895 5.157 10 40 IKCB biogenic C[C@@H]1CCC[C@@H](C)N1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(N)oc12 2199951 WNYYRVZLSZMJQM-ZIAGYGMSSA-N 435.549 5.120 10 40 IKCB CN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(C(C)(C)C)cc3)c2)SC1=S 2874184 ARVXCVDRIARFSM-PGMHBOJBSA-N 441.618 5.663 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 9188656 IKUCNKLNPYZZIV-ULJHMMPZSA-N 445.609 6.018 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2cccc3ccccc23)c1O 13575911 XVHFAOZYWBEXLB-STZFKDTASA-N 442.906 5.499 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(C)c1 13894351 UKOGXBKIXPPTOS-JLPGSUDCSA-N 426.516 5.779 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1c1ccc(Cl)c(Cl)c1 59138106 NQLZVYQEOFNFGB-SDNWHVSQSA-N 434.279 5.083 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccn1 224157022 DNLKMAIQSPYVTK-RPWUZVMVSA-N 425.561 5.061 10 40 IKCB O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 252429280 RSJQWCMCXATOCP-UHFFFAOYSA-N 434.521 5.139 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Cl)c1OC 409326880 FWFZKKQVTYDJPV-SXGWCWSVSA-N 437.995 5.485 10 40 IKCB CC(C)(C)c1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O 4178948 XKDDZTSAIRCYIY-XMHGGMMESA-N 425.619 6.393 10 40 IKCB COc1cccc(/C=C/C(=C2/C(=O)N(c3ccccc3)N=C2C)c2ccc(C)cc2)c1OC 8424868 QVNDILWMFVYOEB-AAVFARQKSA-N 438.527 5.902 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N3)c(C)c1 14166031 GXQQCRJNMBUKQF-BVFVYWQFSA-N 448.563 6.070 10 40 IKCB Cc1c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1 39556237 VEMRQMMCOVBZEX-HZHRSRAPSA-N 441.918 5.749 10 40 IKCB CC1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)cc2)CC1 44854084 HGXJKLWLECKGLW-HSZRJFAPSA-N 433.640 5.646 10 40 IKCB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(N(C)C)cc1 101998974 HBGAEZNOEGBBJK-MHZLTWQESA-N 445.607 6.591 10 40 IKCB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 260511486 QIQAOSIZJUZDNE-DPLHUUCSSA-N 437.603 5.151 10 40 IKCB Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1ccc(F)c(Cl)c1 408631629 ADASEBRURFYQKU-JMIUGGIZSA-N 442.899 6.246 10 40 IKCB Cc1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)c1 408758938 VCCUXQSGTZTZDJ-KGENOOAVSA-N 435.296 5.731 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)cc1OC 408764640 SEDUOECANCYUKJ-DEDYPNTBSA-N 436.870 5.331 10 40 IKCB Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 408766876 TZUCSLNPWMLVLN-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)c1 409172815 LOXFGLUKENNSDN-PSVSLLHZSA-N 429.225 6.747 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc(F)cc3)c3ccccc23)c2ccccc21 409201700 PEJPWENDWWPFCX-JJIBRWJFSA-N 426.491 5.767 10 40 IKCB CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5o4)c(=O)oc23)C1 1799123 ZQZBEZCZTRKITD-SOKVYYICSA-N 444.531 5.707 10 40 IKCB biogenic Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5cccc(C)c5)CC4)=NC3=O)o2)cc1 1801537 SFSSUGIQXNNHMX-JJIBRWJFSA-N 443.572 5.356 10 40 IKCB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccc(OCc2ccccc2)cc1)C3 2158642 ONWRUAXSCVBEDP-UHFFFAOYSA-N 425.484 5.217 10 40 IKCB biogenic COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)C4CCCCC4)n3)c2C)cc1 3419448 JUKKETDQHQLSIC-UHFFFAOYSA-N 437.565 5.523 10 40 IKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 8765886 SQIYHEIKIGLJOO-PDGQHHTCSA-N 437.417 6.245 10 40 IKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc3ccccc3c2)C1=O)=C\c1ccccc1 16712720 ACAOGFHQTIJNKN-XQJAMKRVSA-N 444.581 5.626 10 40 IKCB C/C(Nc1cc(Cl)cc(Cl)c1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 103920921 XWZHDNSXAFZPDA-STZFKDTASA-N 440.305 6.270 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(F)cc1 224165521 PUOFMNFAXHAGBZ-LOSJGSFVSA-N 442.563 5.805 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccccc3F)SC2=S)cc1 409053054 JQEVALXBRITIHC-UCQKPKSFSA-N 449.572 6.115 10 40 IKCB CCCN(CCC)c1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2742778 XTMOYANYUNRLFM-VWLOTQADSA-N 426.564 6.163 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1Cc1ccco1 13573624 MHGCYKFSXFMXOG-RQZCQDPDSA-N 436.341 6.248 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1 408764943 NYEXLCPIMHUSNU-SFQUDFHCSA-N 438.936 6.590 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 408902769 RESBWTRYPUDOER-DEDYPNTBSA-N 434.542 5.198 10 40 IKCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C(C)C 409222676 CVWSSJSQIIPAAI-FYJGNVAPSA-N 436.577 5.082 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC 409326420 BMTIEAIEONMNTA-LDADJPATSA-N 433.982 5.852 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409329740 HXVYBCFCHLLOEJ-HCZVKUGISA-N 444.534 5.187 10 40 IKCB CN1C(=O)/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SC1=S 409345577 IFCZHVYAYXZUKK-NDENLUEZSA-N 425.962 5.903 10 40 IKCB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)cc1 409347710 NDHSBZNUVAFGEK-PXLXIMEGSA-N 449.576 5.085 10 40 IKCB CCCC[C@H](CC)Cc1cc(/C=C2\SC(=S)N(CC)C2=O)sc1Br 1776010987 NXNWZIBAKIEINN-CMHHUMAZSA-N 446.501 6.491 10 40 IKCB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 2195993 UGKGVXJOHGRZRU-MOSHPQCFSA-N 435.574 5.077 10 40 IKCB Nc1ccccc1-n1c(-c2ccccc2)c2c(c1-c1ccccc1)C(=O)c1ccccc1C2=O 2294804 XQHFMCZGFCQBDO-UHFFFAOYSA-N 440.502 6.169 10 40 IKCB c1ccc(COc2ccc(/N=N/c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1 18191751 OZKLKPMDABTNDA-QNEJGDQOSA-N 430.511 7.738 10 40 IKCB C=CCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Br 33739152 SYUKZLCKBMUFMY-BOPFTXTBSA-N 449.757 5.750 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CC1 44854030 OJKBFKQKWGSODR-NRFANRHFSA-N 437.603 5.151 10 40 IKCB CCOC(=O)c1c(N/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)sc2c1CCCC2 101112492 ICEAPJRSKQAHBI-SFQUDFHCSA-N 443.956 5.176 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 408752675 FYWQAIFOOYDWMM-HYARGMPZSA-N 432.907 5.500 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCC 409349166 UTRPCJZMDZBNNR-PDGQHHTCSA-N 433.982 5.539 10 40 IKCB Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1C 2381794 PRYFEHPGVROOON-RGEXLXHISA-N 444.647 5.765 10 40 IKCB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc(Oc2ccccc2)cc1 9188804 MKCOPVQNOVSBRB-MOSHPQCFSA-N 441.936 6.677 10 40 IKCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccccc1C(F)(F)F 9572251 GQZOBCUBXGLNGW-UHFFFAOYSA-N 425.863 5.490 10 40 IKCB COc1cc(C2SCCS2)cc(CN(C)Cc2ccccc2N2CCCCC2)c1O 9647945 QTVJHIKFASJSOZ-UHFFFAOYSA-N 444.666 5.502 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 12428636 JLCPQEBHYWSXSS-KEYYUXOJSA-N 449.142 5.736 10 40 IKCB COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 409192861 GFCDKIMIKMNNRS-MTJSOVHGSA-N 438.936 5.997 10 40 IKCB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409212852 ROXMFWOSNUYXPR-UDWIEESQSA-N 428.941 5.580 10 40 IKCB Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 9444611 KVYCEFDUMYZHQW-QGOAFFKASA-N 430.982 5.269 10 40 IKCB Cc1cccc(COc2ccccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1 59135645 AALOYXQHSSAESY-KGENOOAVSA-N 430.435 5.220 10 40 IKCB O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 96911482 GMSRVHULTIHZRR-BOPDVPAVSA-N 436.436 5.576 10 40 IKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-] 101346774 PQHNHZWSOPKQIX-FLIBITNWSA-N 425.659 5.274 10 40 IKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1ccccc1 224480902 HEASEZBLZRPDNX-RPWUZVMVSA-N 444.991 6.011 10 40 IKCB COc1c(Br)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1[N+](=O)[O-] 408740367 BKKBTJVLOBKSBA-WUXMJOGZSA-N 436.645 5.001 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 409250858 OKEDJOADVFMEPH-RGVLZGJSSA-N 440.330 5.807 10 40 IKCB C[Si](C)(C)CCOCn1ccc2c(-c3c[nH]c4cc(Br)ccc34)ncnc21 606302273 AWKSEVCVZOMXLR-UHFFFAOYSA-N 443.421 5.654 10 40 IKCB Cc1ccccc1CSCC(=O)c1cc(C)n(-c2ccc(OC(F)(F)F)cc2)c1C 3423403 FMPHPGLZDOMSQF-UHFFFAOYSA-N 433.495 6.417 10 40 IKCB CCCN1C(=O)/C(=C/C=C2\N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S 3669474 OLXABKMCANPZHY-VMTNTFKOSA-N 448.657 6.509 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 9193073 KZFXTFSXBBIQKA-MXRTVKJZSA-N 441.560 5.523 10 40 IKCB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 9288528 AFHYWEYSDWKWMI-RUZDIDTESA-N 437.547 5.338 10 40 IKCB Clc1cccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@H]32)c1Cl 13614450 RPFZUFVCTNLFBZ-CZIZLABSSA-N 442.127 6.425 10 40 IKCB COc1c(Cl)cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1Cl 17044512 DMGWUEDJXQDDFQ-PDUPYCKDSA-N 430.316 5.306 10 40 IKCB COc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S 20324907 KUYUVOMHEOIGIE-UYRXBGFRSA-N 439.583 5.986 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(O)=NC2=S)c(C)c1 33735435 PSVURUCLSHTWFF-LDADJPATSA-N 437.540 5.023 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)cc1 214589306 MSYSJYSVWNOKQZ-LPYMAVHISA-N 446.528 5.337 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 260766411 JXKDGJOTPSZTDE-QFWMQHCXSA-N 432.593 5.477 10 40 IKCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 408807339 HFQOSTBWXNUYMK-JJIBRWJFSA-N 448.478 5.085 10 40 IKCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 1781220 NBGMLGHWIHALBU-ZSOIEALJSA-N 444.297 5.874 10 40 IKCB CCCOC(=O)c1ccc(Oc2c(C)oc3c(CN(CC)CC)c(O)ccc3c2=O)cc1 1873774 QNFNYEMAXLJBMX-UHFFFAOYSA-N 439.508 5.008 10 40 IKCB biogenic COc1ccc(/N=N/c2c(-c3ccccc3)nn(C(=S)SC)c2-c2ccccc2)cc1 17130560 MPWQLFANXPAMSL-OCEACIFDSA-N 444.585 7.137 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N=C2S1 31844627 RJQCJRHXNXZWDJ-ANVLOLRKSA-N 433.320 5.673 10 40 IKCB Cc1ccc(C(C)C)c(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 33391811 OMZJWLWVOMRWKW-JCMHNJIXSA-N 441.618 5.797 10 40 IKCB Cc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1 33934896 LFYSEAFGWKRWNP-FYJGNVAPSA-N 433.895 5.250 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3cn([C@@H](C)CC)c4ccccc34)C(=O)NC2=S)cc1 109041720 GECYYUWUJKATKB-YIRPMMGJSA-N 431.561 5.006 10 40 IKCB O=C1/C(=C\c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC(=S)N1c1cccc(Cl)c1 113830465 OUELIURCMHIYHC-NTUHNPAUSA-N 445.736 5.961 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222969028 YMTHHKILMFZSBF-JWQCQUIFSA-N 432.637 5.879 10 40 IKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225014758 QTRLXUZRUQQMKM-CLJLJLNGSA-N 444.648 5.967 10 40 IKCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 409136727 UUKXXQVSTJOXHR-WQRHYEAKSA-N 443.311 5.654 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(O)cc1 409148932 UQTKVKNBIOQDKX-XQNSMLJCSA-N 432.545 5.469 10 40 IKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S 409332438 RLYSYSREFYADLP-MOSHPQCFSA-N 448.009 5.929 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(Nc3cccc(Br)c3)=NC2=O)c(O)c1 18193880 WKHGLTCNKYLZQW-ZDLGFXPLSA-N 446.370 5.083 10 40 IKCB Cc1c(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc2n1C 33335217 GJHBLPQKXMSBEU-WOJGMQOQSA-N 426.339 5.332 10 40 IKCB CCN1C(=O)/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S 409370382 PXMNYHKCTJSXQD-NDENLUEZSA-N 437.546 5.127 10 40 IKCB CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc12 1808395 DSCXKEWIHWGJJV-OAHLLOKOSA-N 432.347 6.237 10 40 IKCB CCOc1ccc(N2CN(c3ccc(OCC)cc3)CN(c3ccc(OCC)cc3)C2)cc1 8855046 IPJSUMKHBGDQMQ-UHFFFAOYSA-N 447.579 5.588 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 9188592 GCBIUGXHSWOVQP-IWIPYMOSSA-N 445.609 6.597 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 9428396 QZVCMTZNJSERRS-JTMDUIFQSA-N 448.906 5.780 10 40 IKCB Cc1ccc(C(=O)Nc2cccc(/C=C3\SC(Nc4ccccc4C)=NC3=O)c2)cc1 13042130 LZUAXKQTJFYLCD-JCMHNJIXSA-N 427.529 5.638 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2c(Cl)cccc2Cl)c1 13940694 MDATXUDGEVVEJN-AQTBWJFISA-N 439.298 5.034 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59194101 WGMSQOMQCOOSNC-NDENLUEZSA-N 439.298 5.034 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 408587656 SXPFEAVKRKJNMD-PGMHBOJBSA-N 429.447 5.495 10 40 IKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2F)N1c1ccc(Br)cc1 408757319 YLNJGNVBZRZEBV-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB CC(C)COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1 2137285 RVPCCSUUIPIPNP-UHFFFAOYSA-N 429.520 5.848 10 40 IKCB CC(=O)[C@@H](CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C)C(=O)Nc1ccc(Cl)cc1 2616057 AJTPKCWNGADTNE-HSZRJFAPSA-N 436.939 5.473 10 40 IKCB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 9188545 AVGCQONWKTYWHS-NSIKDUERSA-N 435.184 6.706 10 40 IKCB O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21 18059885 NUXIULFPJVAFPI-IFCLKOLQSA-N 447.376 5.854 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1c(Cl)cccc1Cl 214827572 BWRQIUIRQIVZNA-XDHOZWIPSA-N 433.360 5.830 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 222699525 MMCNJHRNFCOQIE-DQMJNTIXSA-N 432.593 5.477 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1C 222924212 NVWJVFAIAPZSCL-RPBOFIJWSA-N 432.637 5.734 10 40 IKCB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)O)o1 408632891 USDSOJRPPCSELD-HMAPJEAMSA-N 431.517 5.670 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(C)cc2)cc1 408751963 ATWOVHVXUCWKCH-LPYMAVHISA-N 437.326 6.145 10 40 IKCB Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(C)cc3)C2=O)cc1 408847251 ULUFDPIRELEZBS-RCCKNPSSSA-N 442.971 7.006 10 40 IKCB COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O 409148987 VMORBWGJUPOZSU-KQWNVCNZSA-N 432.545 5.444 10 40 IKCB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 13810569 LCCOTZRGEBYIAU-KEBDBYFISA-N 440.355 5.171 10 40 IKCB CCN1/C(=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)Sc2ccccc21 102150677 BTHNJWKRTGKPGJ-ICFOKQHNSA-N 438.521 5.871 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)N21 222701917 UAVJJNWGUZEXSL-LJGDZFJRSA-N 444.648 6.394 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)nc1 223105421 YINWOIPFROXWKK-LOSJGSFVSA-N 445.636 5.498 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 408756108 XOVOOURUEXYCNO-ATVHPVEESA-N 448.862 5.434 10 40 IKCB CN(C)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 408845968 WYMZFUAUKQONCK-CJLVFECKSA-N 446.348 5.350 10 40 IKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 9310892 FIKIFWWGHOWYTK-NTEUORMPSA-N 427.239 5.933 10 40 IKCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)cc1OC 10130373 QTOGKDTWMVQWIR-VCRXTVNUSA-N 430.957 5.917 10 40 IKCB Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Cl)c2O)c2ccccc12 16779688 XHEZLBZDLPPHHR-UHFFFAOYSA-N 444.915 5.546 10 40 IKCB Cc1cccc(Cn2cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1 33417796 AQDMOZRTVPMKLH-JYHUHERQSA-N 441.560 5.273 10 40 IKCB CN(C)c1ccc([C@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)cc1 33731334 KGNXINQINMHQRU-NRFANRHFSA-N 443.601 5.323 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC 35039109 VVPSBYRVDOAYAE-KGENOOAVSA-N 441.574 5.483 10 40 IKCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc12 113836913 BSQXXOGSNHGUJH-WOJGMQOQSA-N 426.906 5.807 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222874708 HEQCWEIEJSUSGD-FCHUYYIVSA-N 425.001 5.525 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 409164432 IKHIGQBCSFOTBY-RLFDGXBXSA-N 428.679 6.948 10 40 IKCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)cc(C)c1Br 409196041 MMORBFNLVMWIKN-FYJGNVAPSA-N 435.365 5.990 10 40 IKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2cccc(Cl)c2)C1=O)=C\c1ccccc1 8820620 XSMPCEYQIGIZHG-RZTVDGLLSA-N 428.966 5.126 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21 8842985 NHXADBBAVOJIAK-WFIHMLKPSA-N 435.954 7.551 10 40 IKCB Cc1ccc(C(=O)N2N=C3/C(=C/c4ccc(N(C)C)cc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 34798518 XNAPGUVZIOTNMP-XBXOPNHTSA-N 449.598 6.498 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1 80348118 TZFSSCGYYQCYEZ-HRIUQOHOSA-N 425.945 5.085 10 40 IKCB CC(C)Oc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 85876067 AFTZQBLMDCEOME-UHFFFAOYSA-N 433.464 5.070 10 40 IKCB biogenic CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccccc3SCc3ccccc3)cc2)CC1 218607175 GPKBNMQQYQMYNZ-JOCHJYFZSA-N 444.644 6.706 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222924655 BIFBEYZEYVRVQZ-ILBGXUMGSA-N 432.637 5.734 10 40 IKCB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)ccc2c1 223740893 SOEOTUPBGICJPN-MOPGFXCFSA-N 438.593 5.124 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3cccc(F)c3)cc2)C1=O 408870750 WTAADCPMNBKARL-XSFVSMFZSA-N 448.881 5.045 10 40 IKCB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c(C)c1 408900928 ADYCFUALLAKJMH-DEDYPNTBSA-N 435.526 5.447 10 40 IKCB Cc1cc(-n2c(C)cc(-c3nc4ccccc4s3)c2C)ccc1I 409257052 RFTRCNXZJBZWIH-UHFFFAOYSA-N 444.341 6.284 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OCC)cc1OCC 2174106 KEPKZZVKKFLNCC-JWGURIENSA-N 449.547 5.450 10 40 IKCB CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(C(=O)O)cc3)c2C1 2561612 XHKQUBQEFFVFMI-UHFFFAOYSA-N 438.321 5.760 10 40 IKCB COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)c3c(C)n(C)c4ccccc34)ccc12 8964897 LJDAFEHKTMYBLT-UHFFFAOYSA-N 427.456 5.017 10 40 IKCB biogenic CCCC1=C(C(=O)OCC)[C@@H](c2ccc(N(CC)CC)cc2)n2c(nc3ccccc32)N1 13634862 DSAZQAUWHOOCDJ-XMMPIXPASA-N 432.568 5.515 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 33733347 WSBUHFHIXGMPCX-KGENOOAVSA-N 431.473 5.256 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 33758900 QMSZGOKXNWRTFE-LDADJPATSA-N 438.892 5.899 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1C1CCCCC1 59418184 MMXPYQKXKQEGAO-KGENOOAVSA-N 427.566 5.939 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 409079597 LDSZMDBXSOPNME-XHPQRKPJSA-N 448.497 6.239 10 40 IKCB COc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S 409344418 JLYZDSLDPRYNQF-IUXPMGMMSA-N 445.363 5.345 10 40 IKCB Cc1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc1 59859474 IJAIEGLMDYXBSG-ZMOGYAJESA-N 440.543 5.970 10 40 IKCB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219338501 FJFNSMZFRYZMRJ-RLWLMLJZSA-N 430.592 6.111 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(F)(F)F)c1 222725320 JHSTYVPSWBDGRY-PMACEKPBSA-N 430.499 5.110 10 40 IKCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409020963 WGRHUVPRPNWJSO-SKCQWOFPSA-N 446.956 5.044 10 40 IKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21 409151474 HBWBVVMRGGIBOU-VEVIJQCQSA-N 441.234 6.137 10 40 IKCB COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCC(=O)Nc1ccc(F)cc1 802580 JDQOSHOLIAKPFG-UHFFFAOYSA-N 443.478 5.541 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1 1912458 JUOFCHOFXUCTHJ-HKWRFOASSA-N 441.574 5.448 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1Cl 100525052 LLDJCEOOASJTFF-GEJZQBIKSA-N 444.347 6.300 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 208470385 RCTHOWXJXPUTHE-JMIUGGIZSA-N 439.918 5.204 10 40 IKCB CC1CCN(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)cc2)CC1 219235249 SUSLUMYUGIEJDS-PKTZIBPZSA-N 433.640 5.646 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1F 223096101 MTJDEEJHPJAJCZ-JWQCQUIFSA-N 448.611 5.933 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1O 223098393 WYLROHGWWMZNCF-JWQCQUIFSA-N 446.620 5.500 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 408768827 JYPRTAJAFLZGHM-RISWYLRJSA-N 431.605 5.873 10 40 IKCB CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)c1C 408967865 SLKHQFKRSQIRQK-HMAPJEAMSA-N 433.939 5.403 10 40 IKCB CN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 409149221 ZEVNHMRSQYZUPE-UNOMPAQXSA-N 428.966 5.205 10 40 IKCB COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3cc(C)ccc32)S1 2063015 GUYVWXXPOJQSLA-XLNRJJMWSA-N 439.627 6.259 10 40 IKCB COc1ccc(OC)c([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1 6136520 HZYMXLLRPKVOHI-AUSJPIAWSA-N 433.289 5.135 10 40 IKCB O=C1N=C(O)/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 8972171 AHTWDEQYVCMCAK-GHXNOFRVSA-N 440.080 5.263 10 40 IKCB O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(/N=N/c2ccccc2)cc1 14360529 IKBRLHDIXNDGLU-ZQHSETAFSA-N 438.516 6.214 10 40 IKCB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 58845676 SQMDKSLSCHAHJX-CEYNDMKZSA-N 434.536 5.761 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc2ccccc12 100510914 ODLKSZAWPGXESK-KQEYZTLISA-N 425.517 6.147 10 40 IKCB COc1cc(/N=N/c2c(O)nc3ccccc3c2O)c(OC)cc1/N=N\c1ccccc1 102749003 DHQPPOYLOLLOCW-LYJPHZJBSA-N 429.436 6.494 10 40 IKCB Cc1cc(/N=N/c2ccccc2C)ccc1/N=N\c1cc(CN(C)C)c(O)c2ncccc12 104226069 CGFQDCNEANTKJL-XKYJUMAPSA-N 438.535 7.450 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c(C)c1 222619401 BQPFSGQKXIVOGC-QXWFJRNPSA-N 430.621 6.004 10 40 IKCB Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223617409 PJCXPAVWPKEIOD-QRAWFLTRSA-N 449.570 5.728 10 40 IKCB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl 260737602 MBZSJKNJVSWNHE-HOTGVXAUSA-N 446.016 5.411 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 408757679 BNNDUBTZKMOJHH-LDADJPATSA-N 427.298 5.484 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408790400 PQCXGOAFQTXVFJ-STZFKDTASA-N 433.891 5.466 10 40 IKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(OCc2ccccc2)cc1 409052310 JIGYLDZBSDPOJB-NCELDCMTSA-N 446.502 7.039 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C 409128629 FXANCXZQRBKMGF-JJIBRWJFSA-N 444.600 6.380 10 40 IKCB COc1ccc(/C=C/C=C2/C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C(C)(C)C)cc1 2581795 WGUNSZPAACSIAQ-QICXOPSUSA-N 446.444 5.949 10 40 IKCB Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc(-c5ccccc5Cl)o4)C(=O)N=C3S2)c1 2810746 XAKSISKGPUAKEI-NWSLSDTJSA-N 446.919 5.576 10 40 IKCB Cc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(F)cc1 3249921 QCJGGATYWOAQCS-UHFFFAOYSA-N 434.389 5.048 10 40 IKCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1 16712737 ZKZXJHSAZBGBJP-BJXWFGTRSA-N 448.491 5.102 10 40 IKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCc3ccccc3Cl)C2=O)cc1 112293624 CWXFKNIUDKCWAZ-QJOMJCCJSA-N 431.923 5.163 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccn1 223086927 PSOWXIVHAQFIHS-RPWUZVMVSA-N 431.609 5.189 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 260784412 WCLYWWIYNIMQKJ-LEOXJPRUSA-N 437.012 6.122 10 40 IKCB CCCCOC(=O)c1ccc(-n2c(C)cc(-c3nc(O)c4c(C)c(C)sc4n3)c2C)cc1 408735472 SKVXWIJIUDDWCW-UHFFFAOYSA-N 449.576 6.045 10 40 IKCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 8985040 QBEJJAKCZVFPKS-KQWNVCNZSA-N 448.975 6.317 10 40 IKCB COc1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1OC 9010391 MEFSZRVSQIJVBG-KSMMKXTCSA-N 433.289 5.135 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1 13576460 BTJGVIOJTWTRLF-HAHDFKILSA-N 427.550 6.407 10 40 IKCB Cc1ccc(/N=N\c2c(O)ccc(/N=N\c3ccc(S(=O)(=O)O)cc3)c2O)c(C)c1 25693373 SQOXGXCYIDDLGW-SXAUZNKPSA-N 426.454 5.792 10 40 IKCB CCOc1ccccc1N1C[C@@](O)(c2ccc(Oc3ccccc3)cc2)[N+]2=C1SCCC2 27525092 JCJLKQHJCBFSIB-AREMUKBSSA-N 447.580 5.048 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=S 35039183 BTDALUPJOMNBBD-LFVJCYFKSA-N 445.609 6.542 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Br)s1 409030948 FVVIRTJFYAWNIN-QPJJXVBHSA-N 437.187 5.012 10 40 IKCB COc1ccc(CN2C(=O)[C@@H](Cc3ccccc3OCc3ccccc3)SC2=S)cc1 409149996 XTZQBPDTLXZCHZ-HSZRJFAPSA-N 449.597 5.246 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] 409344246 IKBJKKPWIAOINK-ODLFYWEKSA-N 440.477 5.708 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N=C2S1 9425602 LLMAJGSGRKHSMZ-OLKKAHHKSA-N 447.347 5.919 10 40 IKCB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccc(/N=N/c2ccccc2)cc1 12659953 SJTRXKATHMKGQF-ZQHSETAFSA-N 441.409 5.845 10 40 IKCB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35646756 CGYXCQQRFGINQR-HMAPJEAMSA-N 441.468 6.090 10 40 IKCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1c([N+](=O)[O-])cc(Br)c(C)c1C 408536770 XYUGDADJQIIUOY-YBEGLDIGSA-N 443.301 5.001 10 40 IKCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 408903474 YIYHYUJSFYACTO-HYARGMPZSA-N 447.585 5.458 10 40 IKCB COc1ccc(C(=O)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 408977985 XLRSXADHGZZQNN-UHFFFAOYSA-N 430.463 6.317 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 409023818 QWVGBSSZDFYRML-NVNXTCNLSA-N 436.722 5.832 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 1180681 AAQFMRCJNSFSBK-MFOYZWKCSA-N 440.373 5.412 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1C1CCCCC1 9296522 UAELGJJBEYXOAV-GZTJUZNOSA-N 438.401 6.787 10 40 IKCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 13675584 KMRIQMOKWPEGQG-UHFFFAOYSA-N 437.008 6.163 10 40 IKCB COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccc(N(C)C)cc1 19325341 WJOWYOBDSBDZPX-UHFFFAOYSA-N 445.607 5.177 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)S2)cc1 208242110 FTPRWKRNNKJNLR-SYZMQFJCSA-N 440.012 6.453 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(F)c1 223344997 MYJZDWBTZCMVDD-BJKOFHAPSA-N 446.551 5.394 10 40 IKCB Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3Br)o2)cc1 227157768 PBMDIYSPIMOTJO-UHFFFAOYSA-N 436.103 5.306 10 40 IKCB COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)c1 408753543 NHNVPESGHKDPMJ-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 408984532 HYIAEZVAEXVKTI-XMHGGMMESA-N 446.890 6.118 10 40 IKCB CCOc1ccccc1/C=C1\C(=O)N(c2cc(Cl)cc(Cl)c2)C(C)=C1C(=O)OC 638401 TWCQMHDBJWQNAW-NVMNQCDNSA-N 432.303 5.269 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S 1187194 HLJOKRVHNBATSP-YVLHZVERSA-N 437.945 5.288 10 40 IKCB Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1669958 UVLPIULWZIAFJH-DMMSUNFISA-N 449.984 6.745 10 40 IKCB Cn1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 15008742 XCUMIHKPTTURDI-RQZCQDPDSA-N 429.364 5.347 10 40 IKCB Cc1cccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c3ccccc3n2)c1 19636188 VNWLXYWTMWSXSQ-ULIFNZDWSA-N 442.522 7.878 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1Cl 35190371 HOIJQIDRIPRLCT-IQGAPNPZSA-N 425.945 5.023 10 40 IKCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)o1 59139089 IQAMVRJKXKXJFC-OQKWZONESA-N 443.503 5.018 10 40 IKCB CCOc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)O2)cc1 59425810 CNEWSJXASMXROL-WJDWOHSUSA-N 427.283 6.633 10 40 IKCB Cc1cccc(/N=N\c2cnc(-c3cccnc3)nc2-c2ccc(Br)cc2)c1 100145252 ICSFALQOLFKWTQ-DQSJHHFOSA-N 430.309 6.692 10 40 IKCB COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(OC)cc1/N=N\c1c[nH]c2ccccc12 104219946 QBIHSRMOMHUBMR-DYORGOFNSA-N 430.424 6.924 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(Cl)cc2)cc1 408756273 PPZVTSUHBYTUMU-KGENOOAVSA-N 448.906 5.200 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C2=O)cc1 408761301 DHWJBFPNBQCRBK-UYRXBGFRSA-N 436.338 6.782 10 40 IKCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408985521 MPJLVWSOYGWXJQ-LTGZKZEYSA-N 429.903 5.988 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 409199736 JNXUOBQWZFZGGL-MTJSOVHGSA-N 439.437 5.206 10 40 IKCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1 409229467 PKVFECACSPVTJQ-HAHDFKILSA-N 443.572 5.049 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(C)C 409345845 MJRMESZUJJALIM-FYJGNVAPSA-N 427.591 5.522 10 40 IKCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)cc1Cl 1311706 FBJGXFMKSARUPI-XNTDXEJSSA-N 441.361 5.207 10 40 IKCB CC1(c2ccccc2)OC(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)O1 2367195 DAAXFDGUYUWYMJ-UHFFFAOYSA-N 439.261 5.065 10 40 IKCB CN(C)c1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 8766437 NOLXNYFDZIJJEV-JZJYNLBNSA-N 448.654 5.549 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3I)cc2)C1 218217070 RBSSAUXJOJLJQJ-HZPDHXFCSA-N 448.348 5.019 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222874442 KMEGLCMXMUVWBD-FCHUYYIVSA-N 425.001 5.525 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1 223343781 JUZDLMWYDHIEPW-DQEYMECFSA-N 442.588 5.563 10 40 IKCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Cc2cc(C)cc(C)c2)C1=O 408864914 AZSSDHKSWPHQRF-ULJHMMPZSA-N 438.527 5.123 10 40 IKCB CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 408987380 XCPGKQYKPAXKIN-RCCKNPSSSA-N 429.903 5.988 10 40 IKCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408998028 PYZVLOBSHQUYNB-KSEXSDGBSA-N 448.657 6.051 10 40 IKCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 409330347 KXAQRPSTRSIWKU-HIPMGEKLSA-N 438.401 6.577 10 40 IKCB CCc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1 924779 PCLQMCNQCDCPNA-UHFFFAOYSA-N 435.524 5.624 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1cccnc1)N1CCCC1)c(O)c1ccccc12 1448570 YRLOQKKAVIXGMB-QHCPKHFHSA-N 430.504 5.357 10 40 IKCB Cc1cccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2228332 VUXYITIJBMWLIU-IRXDYDNUSA-N 439.515 5.705 10 40 IKCB Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)n1-c1ccc(F)cc1 7026781 REUYYMJEEGXLMG-FQQGMQMYSA-N 429.532 5.394 10 40 IKCB O=[N+]([O-])c1ccc(/N=N/c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 12618857 YJXDTGAEROVIRF-CYYJNZCTSA-N 428.496 6.059 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 13713223 BEXGMKKNNAZJIV-NSIKDUERSA-N 434.291 6.418 10 40 IKCB O=C(c1ccccc1)c1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 18191786 ASZPFNMIPOZUDL-QNEJGDQOSA-N 428.495 7.390 10 40 IKCB O=C1N=C(O)/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N1c1ccc(Cl)cc1 20238523 CBFVWYNPRARRBZ-ATVHPVEESA-N 430.913 5.865 10 40 IKCB Cc1ccc(Cl)cc1NCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 22000108 POQHXKCDYOXIDK-VIZOYTHASA-N 443.808 6.226 10 40 IKCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 22267975 LPXGUVPKUNZJAX-UHFFFAOYSA-N 442.544 5.070 10 40 IKCB CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc23)C1 100650991 LWTOUQIZYBPKCQ-CRYYWNKWSA-N 443.547 5.443 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106724335 NDUFMZMRCINHQT-UYRXBGFRSA-N 445.382 5.532 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc21 208470702 MPJHLSNAFBHMEE-NHDPSOOVSA-N 435.955 5.373 10 40 IKCB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c1 224233433 UXGVFKOEGQWFCM-UIOOFZCWSA-N 438.600 5.975 10 40 IKCB Nc1ccc2nn(-c3ccc(Nc4ccc(Oc5cccc6ccccc56)cc4)cc3)nc2c1 226306869 WVNCZNJGELBNSB-UHFFFAOYSA-N 443.510 6.692 10 40 IKCB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260740093 SJOAJADKYSFKBL-JKSUJKDBSA-N 446.016 5.411 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccc(Cl)cc1 408761710 KXKNGFRDIDYEOY-UDWIEESQSA-N 427.718 6.481 10 40 IKCB Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(O)cc2)cc1 408766004 YKKCPATYOKOYOP-KGENOOAVSA-N 433.305 5.298 10 40 IKCB COc1ccc(N2CCN(C(=O)c3ccc(CSCc4ccccc4)cc3)CC2)cc1 408921282 FTFMYGQASDYVDZ-UHFFFAOYSA-N 432.589 5.091 10 40 IKCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o2)SC1=S 409214532 XZZZBETWDXRBBL-BOPFTXTBSA-N 435.954 5.388 10 40 IKCB O=C1NC(=S)SC1=CC1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 2049286359 SRJBWPHRVUAJIX-JOCHJYFZSA-N 427.550 5.654 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(-c2ccccc2)cc1 9311248 YGWFFUJXGLRQBA-NCELDCMTSA-N 433.938 7.478 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3ccc(Sc4cccc5ccccc45)o3)C(=O)N=C2S1 41083421 PXAVRPPVWXUYRZ-XJKKKVNGSA-N 446.557 6.003 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)cc2)CC1 44854088 VHEAOWLAJFIZLB-GOTSBHOMSA-N 433.640 5.646 10 40 IKCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3F)cc2)C1=O 408870948 WDTYNINKKJZOFN-DEDYPNTBSA-N 448.881 5.045 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409100911 VYKDOQGTWLPHGK-ZVHZXABRSA-N 431.511 5.450 10 40 IKCB COc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1Cl 2117998 OLTRLZPBVKBHBQ-UHFFFAOYSA-N 447.918 5.711 10 40 IKCB biogenic CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OCc2ccccc2)cc1)CO3 2158812 RZRDEGOXKBGWCM-UHFFFAOYSA-N 427.500 5.599 10 40 IKCB biogenic O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)c1ccc(F)cc1 3035974 KBXQYGSVMUUUMC-ZHZULCJRSA-N 435.501 5.451 10 40 IKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(Br)c2ccccc12 8440470 JHPAKZNDQKBEHC-DEDYPNTBSA-N 434.337 5.938 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)cc1 8821757 GZFBLCHBUJBRQZ-HAHDFKILSA-N 448.975 6.564 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 9232382 POOJOVDCRMEOOP-HZHRSRAPSA-N 447.581 5.988 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c(C)c1 222925424 GYRSQYSLQWCBQC-AOYPEHQESA-N 446.664 6.043 10 40 IKCB COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Br)cc3)C2=O)c1 408757096 WQGGKVVWSZFRQF-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 409167598 IWCZPXSLZNKQJV-DPZBCOQUSA-N 441.596 6.900 10 40 IKCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)cc1 409203225 XAJCZSJKOJHXCK-JJIBRWJFSA-N 428.532 5.568 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 409352225 XCLUDBBXLFBRNB-NDENLUEZSA-N 436.514 5.565 10 40 IKCB Cc1ccc(Sc2cc(NS(=O)(=O)c3cccs3)c3ccccc3c2O)cc1 2184842 XMDCWYSVDPQTDM-UHFFFAOYSA-N 427.572 5.867 10 40 IKCB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OC(F)F)cc1 3292231 XWBOAPOFKHGNIJ-UHFFFAOYSA-N 433.838 5.389 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)c1 8821409 DCLQCLRYRYMZPK-UDWIEESQSA-N 425.962 6.623 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Br 9232291 YLKZYXQSDSOKRT-LICLKQGHSA-N 434.380 5.480 10 40 IKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl 9310037 WIEOQCWWMSXJOM-SFQUDFHCSA-N 437.282 6.373 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCc1ccc(F)cc1 16247844 VJMWCJVZKVVUKP-XKZIYDEJSA-N 434.442 5.359 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1[N+](=O)[O-] 27519436 VXTSUQWHGKHFLK-CPNJWEJPSA-N 427.416 5.283 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1Br 33155004 YNFDKALQKRFRLI-QGOAFFKASA-N 448.316 5.635 10 40 IKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)SC1=S 33651109 VGTZPMXVNLWFOL-MOSHPQCFSA-N 448.009 5.929 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1[N+](=O)[O-] 144203024 VPXNXWWKMUFFHE-MTJSOVHGSA-N 433.489 5.552 10 40 IKCB COc1ccc(N(C)CCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225798161 CPICSPLLLOKTEL-UHFFFAOYSA-N 437.634 5.410 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C 408962554 ZBCGSTSAXCXUGH-UCQKPKSFSA-N 447.966 5.711 10 40 IKCB Cc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 409080923 OMYOYOADXMOBHR-JAIQZWGSSA-N 448.419 5.791 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S 409207126 SCZOROBNUXPEIL-FYJGNVAPSA-N 438.549 5.360 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 409214802 YICPWKHJRUHFRH-RGVLZGJSSA-N 426.900 6.128 10 40 IKCB O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Br)cc1 409339632 XIJDIQACKOBIQW-ZROIWOOFSA-N 444.297 5.874 10 40 IKCB Cc1c(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F 1101078 CKMQXDGVZXQZKF-HZHRSRAPSA-N 425.463 5.234 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4cccc(Cl)c4)cc3)S2)cc1 34766155 WHJRURJZKPVQTG-HMAPJEAMSA-N 434.948 6.310 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1 41083731 MQRLOZQAOJUMLN-PEODKBGFSA-N 442.544 5.196 10 40 IKCB CN(C)c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 59418223 LIDYWMJSIJILTA-CXUHLZMHSA-N 437.746 5.409 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc2[C@H](C)CC1(C)C 208317545 BWCDNDUKFMYREE-NLKUQUHMSA-N 433.621 6.498 10 40 IKCB CC1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)cc2)CC1 219235169 SUSLUMYUGIEJDS-DHIUTWEWSA-N 433.640 5.646 10 40 IKCB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCC(C)CC4)c23)cc1Cl 8612144 SBGIUSDIIXYEGS-UHFFFAOYSA-N 442.943 5.593 10 40 IKCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(-c2ccccc2)cc1 8820217 RGQDODOAFBUFDZ-CPNJWEJPSA-N 436.583 5.255 10 40 IKCB Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1Cl 14476901 NUOIGBKNJVBSHK-VNBZBWLYSA-N 442.127 6.425 10 40 IKCB Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1 19792868 KHWDWMQAZPISJY-OAHLLOKOSA-N 447.453 5.993 10 40 IKCB N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 41076370 MTYMLNLXIKTOPZ-HLLBZCHMSA-N 440.550 5.364 10 40 IKCB O=C1/C(=C\C=C\c2cccc(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 113831263 OEBMOKCRBKGXSB-ZRQJSYPSSA-N 447.335 5.319 10 40 IKCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 408903174 VCWJMVUEYHHCOO-KGENOOAVSA-N 448.569 5.287 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 409046641 KUVBUGXSKMMCKY-PXLXIMEGSA-N 445.906 5.164 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 409164093 CIFHJEVVJRQFEQ-ZJNRKIDTSA-N 435.705 5.846 10 40 IKCB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409213828 VJBFBNPLBKSFOE-HIPSJFSSSA-N 446.956 5.126 10 40 IKCB COc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)cc1 924763 JURDRNLXALGZIM-UHFFFAOYSA-N 437.496 5.070 10 40 IKCB CC(C)CN(Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12)CC(C)C 1747714 HCIUNUMJMGQVIP-UHFFFAOYSA-N 447.497 6.298 10 40 IKCB biogenic O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1C1CCCCC1 13517284 VMZNZMOSZRNIJN-STZFKDTASA-N 444.021 6.453 10 40 IKCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=N)N12 13811367 DCLZNYZOKIDEBF-UDYNOARLSA-N 431.348 5.568 10 40 IKCB C=CCOc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Cl 35393932 HCUFYZCSTWFEME-YBEGLDIGSA-N 439.751 6.294 10 40 IKCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1 100525457 KQJTYOKTKSDBDK-DUPNKOKHSA-N 440.872 5.247 10 40 IKCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 102898321 VNCOQNSZBGMLLD-CYYJNZCTSA-N 433.537 5.483 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 222790973 HQTFDNBTNLIRLU-FGZHOGPDSA-N 425.001 5.443 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222927722 VAQBUQUPGMBHAO-AHWVRZQESA-N 446.664 5.988 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1 223855210 LMKPJWBWRDINOD-RPBOFIJWSA-N 440.572 5.372 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2OC)C1=O 409349500 QMYHZHYJCWBRQM-JCMHNJIXSA-N 435.570 6.043 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5ccc(C)cc5)CC4)=NC3=O)o2)cc1 950647 AFFAFSPYORDBLN-JJIBRWJFSA-N 443.572 5.356 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OCC)c(OC)c3)SC2=S)cc1 35039408 FBIZKDORHUTLQB-RCCKNPSSSA-N 427.591 5.842 10 40 IKCB COc1ccc2c(c1)N(C)/C(=C1/SC(N(c3ccccc3)c3ccccc3)=NC1=O)S2 100072849 DTONPPPSSVUDOG-LNVKXUELSA-N 445.569 5.874 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1C 222924149 NVWJVFAIAPZSCL-JWQCQUIFSA-N 432.637 5.734 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222969824 CEETWIJNBKDDCX-JWQCQUIFSA-N 432.637 5.879 10 40 IKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408742833 QALYNCSHJZVPPS-ZROIWOOFSA-N 428.227 6.143 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 408967365 QDSIFEZYKNEFFX-XYGWBWBKSA-N 441.575 5.793 10 40 IKCB O=C1N=C(Nc2cccc3ccccc23)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35646751 AYVRCENRTDDICG-HMAPJEAMSA-N 441.468 6.090 10 40 IKCB O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 113834353 IBXBKAAYUWGRJQ-HYARGMPZSA-N 442.521 6.307 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224187007 JFQUKYAIPRMWFI-RPBOFIJWSA-N 440.572 5.366 10 40 IKCB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408897901 JNTFGVLQQTZZKW-HFITWMCCSA-N 448.906 5.337 10 40 IKCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 409241861 SLRHWZMSTGDBBZ-BKUYFWCQSA-N 442.968 5.575 10 40 IKCB CCn1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 409330177 KATMOGIRAYWCFW-GIJQJNRQSA-N 433.385 6.374 10 40 IKCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 2208839 WDDONMYFQQDFSD-LDADJPATSA-N 430.982 5.269 10 40 IKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(C)nc4sc5c(c34)CCC5)c2C)cc1 3267069 OPVHKSMBADCXMZ-UHFFFAOYSA-N 447.629 6.179 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4cc(C)ccc4C)C3=O)c2)cc1 8821312 ZEDGMCJINYWZRM-IWIPYMOSSA-N 445.609 6.597 10 40 IKCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 8821429 RQTWZWGQENEVSP-VUVCFOEZSA-N 435.954 5.445 10 40 IKCB COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc(Br)c1OC 12628441 NUDPKGCOKVZIDG-VFVRVIDISA-N 431.286 5.201 10 40 IKCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c1 144225649 YTZUKUCHCGBSOP-JCMHNJIXSA-N 446.528 5.512 10 40 IKCB O=C1NC(=S)S/C1=C/C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 9235517 SRJBWPHRVUAJIX-ONQWYEKWSA-N 427.550 5.654 10 40 IKCB CCOC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)c(OC)c3)c2c1N 12249987 VRULRSSJADJMBB-UHFFFAOYSA-N 448.544 5.715 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc1OC 16610421 UGYAXVWQMBJZHI-GPLLRDDGSA-N 444.940 5.198 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 16678610 KNALUXAMLSLYMN-UHFFFAOYSA-N 444.491 5.810 10 40 IKCB Cc1cc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)c(C)c1 20036340 VJBYHKMQEMONAJ-YDZHTSKRSA-N 431.511 5.251 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(OCC)cc3)C(=O)N=C2S1 41083047 LIWNOMOOPBUPAT-VFUAYVBFSA-N 435.553 5.075 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21 58929116 KHXFQFWLMXNSDC-FTLABTOESA-N 435.705 5.846 10 40 IKCB CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223568084 KCTULTQTRJKSIE-RIWZNOJBSA-N 435.543 5.419 10 40 IKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 408744762 ZXCCSRFAHOSLSV-LFIBNONCSA-N 437.245 5.389 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1C 408985007 KFCPXMNEGAHIFC-XDHOZWIPSA-N 448.563 5.270 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409023201 YBNWTRATUIAJBP-UQQQWYQISA-N 439.511 5.138 10 40 IKCB CC1CCN([C@@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 1802392 SOTUJWYFSNNWKL-SANMLTNESA-N 436.684 6.875 10 40 IKCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)cc1C 1895540 NYCMZZXCTNBDOW-MOSHPQCFSA-N 435.574 5.537 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc(Cl)c1 2058722 UKGBFSGGORPWHE-FYJGNVAPSA-N 437.973 6.325 10 40 IKCB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 2671734 OFPSANYOPPNJAG-MOSHPQCFSA-N 435.574 5.077 10 40 IKCB Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc(C)c1Cl 6804329 DDZQEWNHIHPZNO-UHFFFAOYSA-N 426.944 5.224 10 40 IKCB aggregator CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 13644021 CPVLNVZYWUHGKV-MOHJPFBDSA-N 440.503 5.276 10 40 IKCB O=C(Nc1ccc(Cl)cc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408721674 KRZQBLUTXCRTDO-UHFFFAOYSA-N 433.898 6.995 10 40 IKCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 409145937 QVIHUDSTSFYKFE-LFIBNONCSA-N 433.291 5.048 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(C)C 409346385 KCWWQPVDOUQMLI-RGVLZGJSSA-N 431.554 5.665 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1 9293578 WRTDUTXRISMHDT-KHCNQNERSA-N 437.544 5.433 10 40 IKCB CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1 59135932 KVHCEGAHPAMALE-XSFVSMFZSA-N 447.535 5.467 10 40 IKCB CCN(CCCNC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)cc1 225734010 JZJXEOVJLCAWLQ-UHFFFAOYSA-N 440.838 5.614 10 40 IKCB CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408527180 BDPTZJFKEJNCFY-VBKFSLOCSA-N 447.318 5.147 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1C 408769586 WFZZYGYLYSVJQA-FYJGNVAPSA-N 447.922 5.031 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)c1C 408880307 HFMMSDRLGTYFNO-RCCKNPSSSA-N 444.918 5.214 10 40 IKCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)cc1 409133301 QBRSNIMBSUZVDO-STZFKDTASA-N 440.565 5.496 10 40 IKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 9188542 FBIYBZHTVKHBNQ-AUWJEWJLSA-N 435.184 6.706 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1C 9188589 JGOBHTOGGRLJTI-HAHDFKILSA-N 431.582 6.288 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CCOc3ccccc3)C2=O)o1 9235920 UQRBSUWHXDZPSQ-KGENOOAVSA-N 449.484 5.069 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1 9345068 UGQRLLOWSKZYKB-ONWPUYBOSA-N 433.581 5.353 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Br)OCO4)SC2=S)c(C)c1 16284803 JOYPLNWCGORBBI-IDUWFGFVSA-N 448.363 5.200 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc21 223521163 ZMHFWAQLHPIRLG-OYKKKHCWSA-N 443.591 5.807 10 40 IKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223586615 RHLWDWVWYMWSMM-CSMVZQPBSA-N 431.580 5.508 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 409153372 HVOWVHLYWOCWMW-PBFPGSCMSA-N 428.679 6.948 10 40 IKCB COc1ccc(CN2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)SC2=S)cc1 6645117 QLCAOQGFKMCHCL-VIZOYTHASA-N 426.346 5.109 10 40 IKCB O=C(OCc1ncc(-c2ccccc2)o1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 9982463 IGCYPJLSDMAWSD-UHFFFAOYSA-N 443.842 5.127 10 40 IKCB COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13640945 MUDMZZZWAQDKBZ-ZKTNFTSUSA-N 440.754 6.499 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 13688226 QZVCMTZNJSERRS-XWCAUFEOSA-N 448.906 5.780 10 40 IKCB CC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 16033705 HXHIWHPHFWOLRQ-JIMJEQGWSA-N 433.507 5.017 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)S2)c(C)c1 35645307 WRRFGWVXUICKMB-OEAKJJBVSA-N 448.975 6.618 10 40 IKCB CCc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)C1=O 59104983 FBPGFZXVSHHAST-CPNJWEJPSA-N 444.443 5.022 10 40 IKCB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(N(C)C)cc1 101998979 HBGAEZNOEGBBJK-HHHXNRCGSA-N 445.607 6.591 10 40 IKCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222922142 GFLQYFPKNIFGFL-RPWUZVMVSA-N 434.609 5.126 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225014020 ICTLKFFMKUIRMT-DQEYMECFSA-N 430.621 5.713 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 408536405 ZHHXBOHBMCPBEX-UYRXBGFRSA-N 442.650 5.943 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c1C 409148453 ZFMREQPUNILKAS-KGENOOAVSA-N 435.593 5.058 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 33154933 CFFKNEJODFYJFJ-JCMHNJIXSA-N 433.554 5.680 10 40 IKCB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1 58846298 ZZJRMILGPRNCLX-VVZHRXSXSA-N 430.573 5.931 10 40 IKCB Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1 58846931 ARLJRRPWWZGGHH-WZOHSFFVSA-N 434.536 5.761 10 40 IKCB C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 225664166 RFTMRJIMYRTGSI-AWEZNQCLSA-N 441.950 6.397 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@@H](C)CC 409328756 ATQQGCAMDURAPV-AKGOGDBKSA-N 427.591 5.977 10 40 IKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 8819073 CVUUFWOIJZEKEG-VCHYOVAHSA-N 449.746 6.989 10 40 IKCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccccc1 9217684 UMERBYIHGSIOFE-GOSISDBHSA-N 443.576 5.446 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 41083086 DLANFKPVQJKAFJ-QNPCYTEQSA-N 447.608 5.910 10 40 IKCB CCOc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1 59425813 DJIHVFILMZKTBH-PTNGSMBKSA-N 427.283 6.633 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222835540 GMRQUPKNLQDCHM-GOTSBHOMSA-N 439.028 5.832 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(F)cc1 223096686 FMOYTWQTKSZMLA-RPBOFIJWSA-N 448.611 5.933 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N3CC[C@@H]2c1ccccc1 247436198 VXYAZKHVXNXSCN-KWNHSTDBSA-N 441.958 6.795 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 408902011 JUSNTPMVSVJAOD-RGVLZGJSSA-N 442.968 6.292 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1Cl 409174572 NTEVBSSRYWXJPH-DFIYOIEZSA-N 438.423 8.112 10 40 IKCB N=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC=C(c3ccccc3)N12 1166709 UYBFCCKACDPGLH-WMUNWQNWSA-N 442.456 5.159 10 40 IKCB Cc1ccccc1Nc1cc(N2CCCC(C)(C)C2)c2noc3c2c1C(=O)c1ccccc1-3 2377821 XXFFWYLXPOWBGU-UHFFFAOYSA-N 437.543 6.718 10 40 IKCB O=[N+]([O-])c1ccc([C@H]2[C@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 8935291 VUGPWWVPSRHYQI-WPUDHWPRSA-N 449.348 6.252 10 40 IKCB Cc1cc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c(C)c1 9554225 JDKVAYMLGUYPIM-YDZHTSKRSA-N 431.511 5.251 10 40 IKCB Cc1cc(/N=N/c2c(O)nc3ccccc3c2O)ccc1/N=N/c1ccc(C(=O)O)cc1 17746931 RYASJVSJGCGYQA-NBHCHVEOSA-N 427.420 6.483 10 40 IKCB CCOc1ccccc1-n1cccc1/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)C(=O)N=C1O 20210242 HLQZVVSCIQKGGN-AQTBWJFISA-N 449.894 5.345 10 40 IKCB Cc1ccc(Cn2cc(/C=C3/C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c3ccccc32)cc1 33380047 RREWDCOLVYVIBW-BUVRLJJBSA-N 449.510 5.813 10 40 IKCB CC(C)(C)c1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(C(C)(C)C)c1O 33809103 MRJOQSLSXGNMOA-XSFVSMFZSA-N 439.646 6.389 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)cc1OCC 59959377 BFTMHFHSGMAVAL-JCMHNJIXSA-N 449.547 5.055 10 40 IKCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1 112292492 MZLPCINLFDWQGF-BWAHOGKJSA-N 441.487 5.131 10 40 IKCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3cc(C)cc(C)c3)=NC2=O)cc1OC 136657433 IHWHZJUAUBVTKO-DKNZLLBESA-N 444.984 6.225 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Cl 222919844 UNUAQIFMQZJBMG-XZOQPEGZSA-N 439.028 5.771 10 40 IKCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)cc1Cl 408849585 XLMUNLNHJWUJBP-UXBLZVDNSA-N 446.142 5.132 10 40 IKCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc2ccccc12 882756 YHDXZDRGPNJDTN-UHFFFAOYSA-N 428.473 5.276 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 1247469 YTPCFMAETLNTCO-LICLKQGHSA-N 439.480 5.519 10 40 IKCB COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 8819661 XUEXUAMEHPWZHS-HKWRFOASSA-N 440.590 5.096 10 40 IKCB CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C(=N)N12 9704315 WMXQALALMRAVAY-WHJFZTRWSA-N 444.343 5.739 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1Cl 12462325 OCTQVCJFYWMHKG-ODLFYWEKSA-N 439.880 5.899 10 40 IKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1C 15930697 PZQHVCHJQQWLOY-JYRVWZFOSA-N 438.698 5.372 10 40 IKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 18053862 RSJQWCMCXATOCP-OCEACIFDSA-N 434.521 5.139 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(O)=NC2=S)cc1 33703559 RIHPKJFKXURTEQ-LPYMAVHISA-N 447.535 5.467 10 40 IKCB Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44085593 CUEKDARYHJNFLZ-UHFFFAOYSA-N 436.762 5.234 10 40 IKCB C[C@H](NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2 110493823 ZUDWFZUHOPRPLS-VUSIZFMCSA-N 448.567 5.266 10 40 IKCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1 409348409 SLWAPQWOSILMOU-VGOFMYFVSA-N 445.190 6.162 10 40 IKCB CCCOC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1Cl 8430538 DUMFVJKCNCKGGH-PDGQHHTCSA-N 432.307 5.279 10 40 IKCB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 8451878 HPWDEMHPWRBDIH-ZDLGFXPLSA-N 438.401 6.184 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 8821510 PWTDUMNNBQXDSN-DEDYPNTBSA-N 436.514 5.823 10 40 IKCB CCCN(CCC)c1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1 9355034 BKBCOXFHJCAMDZ-PXLXIMEGSA-N 429.486 6.138 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 13942407 WQWJJQNMZXNYNB-UQQQWYQISA-N 440.543 5.670 10 40 IKCB CCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)O1 17145814 WHIZPHRSGPPVPG-UHFFFAOYSA-N 444.911 5.317 10 40 IKCB CCN1C(=O)/C(=C(/C=C/C=C2\N(C)c3ccccc3C2(C)C)c2ccccc2)SC1=S 83259433 UMXJEPRTNZRTIW-OFYBXNLPSA-N 446.641 6.146 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(Nc3cc(C)c(Br)c(C)c3)=NC2=O)o1 204985610 ZRPJKQBGLORILL-WJDWOHSUSA-N 448.386 5.588 10 40 IKCB C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 219130063 BUAJZNRRODSVAX-PKTZIBPZSA-N 426.604 6.322 10 40 IKCB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OCC 219279322 ZWGQCLBHOLILTP-NHCUHLMSSA-N 438.612 5.530 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260766269 JLYLNPTXAPLXNM-ZGNKEGEESA-N 437.012 6.040 10 40 IKCB O=C1/C(=C\c2ccccc2F)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 408754190 IUQSRVHNEWNNRY-CPNJWEJPSA-N 448.906 6.234 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 409163769 XPZVUGWBHURBQB-JQYIIUTOSA-N 428.557 7.022 10 40 IKCB CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 826365 FOBOPDVAKKCJLH-UHFFFAOYSA-N 436.309 5.576 10 40 IKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C1O 2442272 WNFKCNDBNWAEIQ-JWGRYVKWSA-N 449.510 5.117 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccn1)N1CCCCC1)c(O)c1ccccc12 12555251 CNPNLCDEPHHLAW-XMMPIXPASA-N 444.531 5.747 10 40 IKCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 12629338 FUHDXRHLZMCVDW-SFHVURJKSA-N 448.617 5.195 10 40 IKCB Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 14458246 VPPNSECNNWXOCK-CLCZQPDDSA-N 444.600 6.239 10 40 IKCB O=C(NN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S)c1ccc(Cl)cc1 83306048 SKHSKLGAAOOKQM-RIYZIHGNSA-N 443.764 5.193 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C 222881407 RITGKMNDZIXQJC-GOTSBHOMSA-N 439.028 5.833 10 40 IKCB Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1Br 225664111 OIFMEIYYHMHNOD-MRXNPFEDSA-N 432.431 5.795 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1 970614 IKTPLHUADXTZRD-LZYBPNLTSA-N 425.453 5.128 10 40 IKCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 1805118 QKGYQYGCEPXQGO-ATVHPVEESA-N 435.954 5.446 10 40 IKCB COC(=O)c1nn(-c2ccccc2)c(=O)c(/N=N\c2cccc(C(F)(F)F)c2)c1Cl 12950840 SOGZSFGTHMGKMZ-IZHYLOQSSA-N 436.777 5.107 10 40 IKCB COc1ccc(CN[C@@H](Cc2ccsc2)c2ccc(C)cn2)cc1Cc1c(C)n[nH]c1C 19215463 XGCTXEASQRIIEM-VWLOTQADSA-N 446.620 5.464 10 40 IKCB O=C(O)c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 32121230 DJUGLURHSYCLHC-IMSXRSKXSA-N 431.919 6.444 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 33448577 MGSBJBCJPWKIHT-UDWIEESQSA-N 441.961 5.913 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1F 40006129 OBVIAEHQIFFXHB-MTJSOVHGSA-N 445.581 5.661 10 40 IKCB Cc1nn(C(=O)CC(=O)Nc2ccccc2Cl)c(C)c1/N=N\c1ccccc1Cl 104282151 JJTCLHXKNKKSLE-IZHYLOQSSA-N 430.295 5.891 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1C 260562447 AAWBSGAVXRVQGX-MNOULKQQSA-N 445.563 5.000 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)SC2=S)cc1 409329326 DVXGEDKZOWOGTD-HYARGMPZSA-N 449.553 5.954 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C1CCCCC1 9296521 CSTAOLMAVXWWKV-LDADJPATSA-N 448.407 6.243 10 40 IKCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 20490525 KEWYMTOVUWXWJF-UHFFFAOYSA-N 432.589 5.388 10 40 IKCB CCCCCCOc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OC 108991641 CLRIUVVPNPKACV-RCCKNPSSSA-N 444.984 6.390 10 40 IKCB Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C 208228682 NAWABVGJYPDTRA-YQODDJSKSA-N 437.971 5.463 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C 222963345 APRKXKXLGNMMSJ-JWQCQUIFSA-N 432.637 5.824 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(N4CCCC4=O)c3)cc2)C1 225671254 DWIPCJOVSVZERK-RTBURBONSA-N 436.625 5.097 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 260752995 AMZQPMQIVMEBCH-WVQWTBLQSA-N 445.636 5.535 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 260766409 JXKDGJOTPSZTDE-DKLXNKCPSA-N 432.593 5.477 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 408587157 RHUGTSONTJPJBW-UQQQWYQISA-N 439.511 5.973 10 40 IKCB Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 408779508 FWNRIANEAPFNCB-VAWYXSNFSA-N 427.298 5.683 10 40 IKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1Cl 408983455 BWTGHCVVTKPIMN-SFQUDFHCSA-N 426.730 7.118 10 40 IKCB CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)c(C)oc12 2404611 RIPNCCIRSCZKNR-UHFFFAOYSA-N 432.314 5.204 10 40 IKCB CC1CCN(S(=O)(=O)c2ccc(/N=N/c3cc(Cl)cc(Cl)c3O)cc2)CC1 8400623 JVZPHHWDRXKEAC-QURGRASLSA-N 428.341 5.535 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 8821481 JUMACNHHPLAWID-DEDYPNTBSA-N 436.514 5.823 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1Cl 9428434 XMDKNVICBUXQKC-BOPFTXTBSA-N 441.270 5.228 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 16429238 YCWQSERZYUZDGC-KEYYUXOJSA-N 449.142 5.736 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3o2)cc1 16678577 LRNQVOYSQKPUFB-UHFFFAOYSA-N 445.519 5.611 10 40 IKCB CCCCOC(=O)c1cc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1Cl 101114215 CSGUIFFUIUTYRG-KGENOOAVSA-N 439.943 5.632 10 40 IKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C 208323432 RHLWDWVWYMWSMM-JVMBGAFUSA-N 431.580 5.508 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(F)(F)F)c1 222725259 JHSTYVPSWBDGRY-VQTJNVASSA-N 430.499 5.110 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 260783746 UHOYKPULZNYVTL-YNJKOYDBSA-N 430.621 6.085 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1 408783120 KGOPDHUERKTBTC-FYJGNVAPSA-N 447.922 5.031 10 40 IKCB Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(C)n1-c1ccc(Cl)cc1 409131507 VXEGSVMQJZQRPC-MOSHPQCFSA-N 435.936 5.148 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccc1 1157607 KGMAWZXJYABZRY-FYJGNVAPSA-N 433.489 5.239 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3)C2=O)cc1 2222548 SGLXTYFFVRLTFK-OZHVRZOASA-N 427.504 5.557 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3c(C)nn(-c4ccccc4)c3Cl)SC2=S)c1C 8873304 UCDARUMKZQFQII-UNOMPAQXSA-N 439.993 5.857 10 40 IKCB COc1ccc(/C=C(/C(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1 10113089 CYFXKIPGSUVOND-NHFJDJAPSA-N 426.560 5.543 10 40 IKCB COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13640943 MUDMZZZWAQDKBZ-CRTZDJKQSA-N 440.754 6.499 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc1OC 16610424 UGYAXVWQMBJZHI-MFVBVHDHSA-N 444.940 5.198 10 40 IKCB O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 33924099 WQVSHHWOOBEAON-ZSOIEALJSA-N 433.398 6.130 10 40 IKCB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)cc1 44086290 YOJYTEVJHHOTHT-UHFFFAOYSA-N 429.545 5.338 10 40 IKCB O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1cccc(F)c1 113837509 FNFJALNLMSWJJK-LHHJGKSTSA-N 429.281 5.447 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225670224 MBGSLOHAHQYIDZ-QZTJIDSGSA-N 425.598 5.147 10 40 IKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1 408739702 ZSNYZIYSUNRQFH-NBVRZTHBSA-N 436.736 6.574 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(O)c3)C2=O)cc1OC 408759604 HVTGBIFJCSKGKY-LDADJPATSA-N 433.891 5.534 10 40 IKCB Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(F)cc1 408969121 HOKFUTDLPARFBB-MOSHPQCFSA-N 427.401 5.582 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccccc3Cl)c12 409128453 FANUYVJHNGARLR-NDENLUEZSA-N 441.021 6.127 10 40 IKCB CCOc1ccc(/N=N/c2ccc3oc(=O)c(C(=O)Nc4ccc(OC)cc4)cc3c2)cc1 17861366 FVKXZRYEJHVOSZ-BYYHNAKLSA-N 443.459 5.868 10 40 IKCB Clc1ccc2c(c1Cl)N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 36081733 XYDNRKXHHDIEFO-AUSHCKSDSA-N 439.136 6.311 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1 208849074 LBTLFEDKWPULOM-HYARGMPZSA-N 446.934 6.124 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)SC2=S)cc1 409329736 HWJYSLBMXNMUHF-BKUYFWCQSA-N 435.526 5.564 10 40 IKCB CCc1ccc2c(c1)C(=O)c1c(c(-c3ccccc3)c3ccccc3c1-c1ccccc1)C2=O 5707162 JYZVABUUCGGZRK-UHFFFAOYSA-N 438.526 7.512 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N=C2S1 30952399 LLMAJGSGRKHSMZ-GQFJHEMJSA-N 447.347 5.919 10 40 IKCB O=c1[nH]n(C2CCCCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3ccc(O)cc3)c12 85877048 NRGWQRDAWNYZNV-UHFFFAOYSA-N 445.475 5.303 10 40 IKCB biogenic CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(Cl)c(Cl)c1 95471564 PDYCASABBAQBLW-ZROIWOOFSA-N 425.113 5.474 10 40 IKCB CC(C)n1nc(O)c2c(-c3ccc(Cl)cc3Cl)c3oc4c(O)c(O)ccc4c3nc21 95474102 ZAORGYSPHBACLN-UHFFFAOYSA-N 444.274 6.002 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)c1 223552146 QLOIOLNGZNWLDE-OVBDPADQSA-N 445.563 5.162 10 40 IKCB O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1 409139546 OBWBCOBPMBIVDM-MFOYZWKCSA-N 435.412 5.712 10 40 IKCB CC(=O)Nc1cccc(N/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)c1 8440478 VDZZEBVSBXWHKC-DHDCSXOGSA-N 437.714 5.324 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C 14010523 CPWGCFCHCHUTTC-OYKKKHCWSA-N 444.531 5.177 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1Cl 14165814 SVHXYMJIAJCGJA-VBHSOAQHSA-N 442.127 6.425 10 40 IKCB Oc1ccc2c(oc3c(-c4ccc(F)c(F)c4)c4c(O)nn(C5CCCC5)c4nc32)c1O 95475959 BINIDUULERWDJR-UHFFFAOYSA-N 437.402 5.508 10 40 IKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1-c1ccccc1 224416553 DQIHYZQUKVTYBX-RPWUZVMVSA-N 428.536 5.497 10 40 IKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 409021955 AXABSVHAHDSJHV-UKWGHVSLSA-N 430.331 5.994 10 40 IKCB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2c1 409092146 VPVSJPZIVBKELE-WBRURWICSA-N 443.590 5.017 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)cc1 409233888 IHKAYWYKGXPAJG-SSDVNMTOSA-N 437.902 5.288 10 40 IKCB O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 1471378 DQMUBRBHGWRZOV-UHFFFAOYSA-N 427.913 5.006 10 40 IKCB Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 13944064 VSDHYHXAPRPWRK-STZFKDTASA-N 427.591 5.407 10 40 IKCB N#CCn1cc(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc21 33478327 RVLVSDSTXQVAMY-WQRHYEAKSA-N 437.322 5.010 10 40 IKCB COc1cccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1 35038911 CMRCATYMPLGTLG-KNTRCKAVSA-N 435.611 5.492 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)N21 222699964 DYUQYWLLJGAXCP-YFXJRYMSSA-N 446.576 5.167 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccc(C)cc2)cc1 408755104 MLZFLBBZPSKKBM-JJIBRWJFSA-N 440.499 5.015 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(NC(=O)COc3cccc4ccccc34)cc2)SC1=S 3186130 VZMSXGVPBDMGFX-STZFKDTASA-N 448.569 5.078 10 40 IKCB CCCCC1(C)OC(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)O1 4082520 LGRCXRCBPRSABA-UHFFFAOYSA-N 437.923 5.733 10 40 IKCB Brc1cc(Br)c2nc(-c3ccc(-n4cccc4)cc3)ccc2c1 8782249 VXQVLQMARTUPDG-UHFFFAOYSA-N 428.127 6.218 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 9193113 CKRUCQIIJMIHFQ-AMWUQPRHSA-N 425.945 5.167 10 40 IKCB O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc(-c4ccco4)nc4ccccc34)cccc21 12570417 MDUKQIHOSANGJV-UHFFFAOYSA-N 444.446 5.523 10 40 IKCB Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)c1 19793075 ZWRRQCIOXZGFSS-OAHLLOKOSA-N 447.453 5.850 10 40 IKCB C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 218979041 MZRZLTGBYHJCPF-YADHBBJMSA-N 428.576 5.993 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c(C)c1 222835142 JBJWVOCMAGRSQX-NOZRDPDXSA-N 432.637 5.795 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1O 225016583 VIDHFZHLDJDYNA-BJKOFHAPSA-N 432.593 5.110 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1 8985012 FWKHSHMKGNKQDK-SNVQMYBZSA-N 432.549 5.636 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSCc3c(F)cccc3Cl)cc2)CC1 218203082 KSCYXYIAVNJZDZ-QGZVFWFLSA-N 435.008 5.826 10 40 IKCB C1=C[C@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1 408737413 PJMOEKMMNJGYOV-ANVJXECLSA-N 425.572 6.710 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2cccc(Br)c2)C1=O 408752729 GJBWSXJEAFRWAO-KGENOOAVSA-N 447.332 5.601 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)cc1 408840287 DDPVVFOIVQXMDD-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C 409015975 SZXODXUAAUBYEJ-JLPGSUDCSA-N 446.591 5.716 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 409079378 AZDJPXAYVBJNOY-HRVJUDJTSA-N 445.993 5.299 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3Cl)cc2)SC1=S 2882411 QTPWUFGEQNQDNS-RGEXLXHISA-N 433.982 5.409 10 40 IKCB COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCCC4)c3)c2c1 4366439 HIOFSCQIOULIOU-UHFFFAOYSA-N 433.939 6.095 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 33729978 DYLZVZGKCQXDSI-WOJGMQOQSA-N 446.380 6.968 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)c(Cl)c3)C(=O)N=C2S1 41083374 YGBCKNRSOUSPFW-ANVLOLRKSA-N 432.336 5.203 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cn1 408738557 MAIZRRVJNZJRCW-QGOAFFKASA-N 433.305 5.324 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408902136 KRRDNLALKJLGIT-PXLXIMEGSA-N 433.602 5.566 10 40 IKCB COc1ccc(CN2C(=O)[C@@H](Cc3cc(C(C)C)c(OC)cc3C)SC2=S)cc1 409142819 GCPDEPINYULQJT-OAQYLSRUSA-N 429.607 5.107 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409344713 IBVMUWDGOJHUOS-WOJGMQOQSA-N 426.450 5.400 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409351521 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CQOMGKGCLIZZDN-VQTJNVASSA-N 431.392 5.398 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222924517 XIQROCKVNOGWQP-LOSJGSFVSA-N 432.637 5.734 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C 222963285 APRKXKXLGNMMSJ-LOSJGSFVSA-N 432.637 5.824 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225031011 IIWMGDHHQXFFOS-BJKOFHAPSA-N 432.593 5.104 10 40 IKCB Nc1c(C(=O)Oc2ccc(Cl)cc2)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 1471622 UMTCNQLADONFQM-UHFFFAOYSA-N 438.814 6.030 10 40 IKCB O=C1N=C(O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1c1ccc(F)cc1 9357362 JJWOTRBBDGWIET-YBEGLDIGSA-N 445.233 5.899 10 40 IKCB COc1cc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c(OC)cc1Cl 11619502 TTYYHYHCXJDNKB-UHFFFAOYSA-N 440.883 5.316 10 40 IKCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 20076130 UEIMRZQZJFRYFC-LTGZKZEYSA-N 429.903 5.988 10 40 IKCB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCc1ccc(O)c(O)c1 34086370 MVVPIAAVGAWJNQ-CGRWFSSPSA-N 439.640 6.902 10 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CCCCN(CCCC)Cc1ccc2c(O)c(CN(CCCC)CCCC)ccc2c1O 1889214412 VQBGNVWYRYCPJF-UHFFFAOYSA-N 442.688 7.055 10 40 IKCB CCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)SC1=S 12787089 JJZZYUWSZLKEAW-LICLKQGHSA-N 431.608 5.056 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3cccc(Cl)c3C)C2=O)cc1 16678461 AWWMWEAWTQPLBF-DEDYPNTBSA-N 446.041 5.765 10 40 IKCB CC(C)CN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S 16750564 SEYUOVFRCPIFKL-MLPAPPSSSA-N 430.776 5.706 10 40 IKCB CCCOc1ccccc1/C=C1\C(=O)N(c2ccc(Br)cc2C)C(=O)N=C1O 83331509 CYSBTHQHPBSYCG-VBKFSLOCSA-N 443.297 5.053 10 40 IKCB CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccc(C)cc1 107860443 UKZBVGNFYULCNM-JLPGSUDCSA-N 444.556 6.055 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1 112291584 YETWIHABCWPYJI-UYRXBGFRSA-N 443.301 5.246 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3c(F)cccc3Cl)cc2)C1 218203265 INIWEZKKWNDJGP-IAGOWNOFSA-N 435.008 5.826 10 40 IKCB Cc1cccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(Br)cc2)c1 408753407 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5.892 10 40 IKCB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1C 2303502 UXYYNRPYNOVFCB-PDGQHHTCSA-N 430.982 5.187 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccccc1 8741954 NXTIJCOHPSLGDH-LDADJPATSA-N 431.460 6.371 10 40 IKCB O=C(NN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S)c1ccccc1 9187020 JSAKOWKMIPNSBF-PXLXIMEGSA-N 440.549 5.539 10 40 IKCB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)C2=O)cc1C 15412908 AIDJGNIGEFBJEZ-RUZDIDTESA-N 447.966 5.144 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3o2)cc1 16678556 FMSFDUSFHKDZIF-UHFFFAOYSA-N 443.547 5.975 10 40 IKCB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 20528615 JEHMRYAMEHETIR-DHZHZOJOSA-N 438.911 5.097 10 40 IKCB CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 27018109 NPZATDZMWXKCKZ-PGMHBOJBSA-N 433.602 5.931 10 40 IKCB CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S 32124854 KWBUDPPDXQTBHI-MHWRWJLKSA-N 436.967 5.621 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 33305219 RIUPMPJXGZZCCT-WOJGMQOQSA-N 448.491 5.921 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 35042721 POVIFSVLOWWURN-LFVJCYFKSA-N 428.557 6.219 10 40 IKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 37613802 UJBODOYKWBPKKC-NMMYMHLASA-N 431.919 6.444 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 58865621 MCXFPZMUKUCXHC-UHFFFAOYSA-N 447.314 5.716 10 40 IKCB COc1ccc(N2N=C(C)/C(=C\c3c(C)nn(-c4cccc5ccccc45)c3C)C2=O)cc1 408757349 MHPPHSRGLDOSES-PCLIKHOPSA-N 436.515 5.457 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2ccccc2)C1=O 408765635 MUKZUPOKLGSQJF-HMMYKYKNSA-N 433.305 5.292 10 40 IKCB COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc([C@@H](O)CCN(C)C)cc3)c2c1 4830966 ZZUFLNQKOYMXII-DEOSSOPVSA-N 435.955 5.779 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccccc1 8456277 WAKXFSSJOQKGFH-STZFKDTASA-N 448.525 5.580 10 40 IKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 8765574 NNSNPUQAYZLJKD-SDXDJHTJSA-N 445.610 5.360 10 40 IKCB Cc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)N=C2O)c(C)n1-c1cc(Cl)cc(Cl)c1 33305848 RMOVFYFDKAOTRU-UFWORHAWSA-N 446.334 5.646 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)S2)cc1 33628862 KBSISCFRKOEWOL-DABDWFRDSA-N 444.984 6.171 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1 222829733 NOTFCFYTZJFMCF-FGZHOGPDSA-N 425.001 5.523 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1 223458113 POESCYLHAQPPMQ-RPBOFIJWSA-N 439.588 5.057 10 40 IKCB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1C 224285402 HKKLHOSDHKERKM-FTJBHMTQSA-N 438.600 5.975 10 40 IKCB C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(N2CCCCC2)cc1 225779654 YDSFYWHGILVBOB-FQEVSTJZSA-N 448.994 6.400 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260786597 YKXBYXVUZZMYIS-DURYTUKUSA-N 437.012 6.040 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C 409330646 LINYZGWTELNSAX-ODLFYWEKSA-N 433.982 5.932 10 40 IKCB CC(=O)c1cccc(-n2c(-c3cccc(Br)c3)cc3c2CC(C)(C)CC3=O)c1 2512859 TWQWAHYQMPAOGK-UHFFFAOYSA-N 436.349 6.265 10 40 IKCB Cc1ccc(Nc2ccc(Nc3ccc(CCO)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 5124959 GAMOYLWAZLBHAV-UHFFFAOYSA-N 448.522 5.792 10 40 IKCB CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 9293564 ZJVCGXHNVFYJNF-DHPBROCDSA-N 447.608 5.992 10 40 IKCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Oc3ccc(C4CCCCC4)cc3)ccc21 26459507 VCXAAFTYAVHJLP-UHFFFAOYSA-N 446.524 5.277 10 40 IKCB COc1cc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@H]32)cc(Br)c1OC 28212836 RNDUVUOEOQNPKG-HMFYCAOWSA-N 436.349 6.446 10 40 IKCB N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 31963955 SEUQEJOCTJXBPB-WMQSWVATSA-N 435.347 5.022 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12 33707340 BTWFXDWCRUDYQQ-UCQKPKSFSA-N 443.959 6.425 10 40 IKCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 144226946 SVMHNCONNVAKBI-HMAPJEAMSA-N 446.528 5.430 10 40 IKCB C[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCCCC2)cc1 225664934 XATODKIPVSWUKT-AWEZNQCLSA-N 436.394 5.626 10 40 IKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)N2 36081679 GDBWYCRGJXUSHB-QQNWGBJXSA-N 439.555 6.577 10 40 IKCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc12 59138761 VLYPXLCTVKEDNK-JJIBRWJFSA-N 449.510 5.256 10 40 IKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)C(=N)N12 103604803 MRWFJCRXPLMBCN-JBTTYCITSA-N 441.354 5.024 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cccc2ccccc12 205728832 ZUXXNTCXPVBNLD-LPYMAVHISA-N 448.544 5.235 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222880406 KSYBSAWPDKKONL-NOZRDPDXSA-N 432.637 5.797 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409054270 ITEVUCMGEAMGKH-STZFKDTASA-N 448.469 5.250 10 40 IKCB Brc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 409152902 GNZHSXIVFVUGBX-HWBMXIPRSA-N 448.429 7.568 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 409348650 OCYAGEYSHARNOT-CFFVULROSA-N 443.546 5.007 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1ccccc1 1410439 ODPKFIATKHTLNJ-CIAFOILYSA-N 440.927 6.123 10 40 IKCB COc1ccccc1[C@@H](CCNCc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1 1823709 WYBNNZDNQBJYIZ-SANMLTNESA-N 432.608 5.860 10 40 IKCB biogenic CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 2195412 VOYAPHVFLMKYKB-STZFKDTASA-N 449.601 5.468 10 40 IKCB CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 2332565 JDXZMWHONBNVRE-CTFRJJSNSA-N 434.026 7.018 10 40 IKCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12594015 IQWRNSKEGRNRHZ-SEJPIABJSA-N 430.683 5.248 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14406749 YOQKATCQFGZAGT-JLPGSUDCSA-N 441.483 5.365 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(OC)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 20058212 JEBCZXMFVXGEIS-IQUTYRLHSA-N 431.286 5.201 10 40 IKCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cc(C)cc(C)c2)SC1=S 33430135 DNLARDRKCNVGKR-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OCc2ccc(F)cc2)c1 35332121 HQCWLYJIKUBMPH-BKUYFWCQSA-N 438.911 6.141 10 40 IKCB COc1ccc(-c2coc3c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(O)ccc3c2=O)cc1 100798549 MYEUUXSFZCEDQF-CLYVBNDRSA-N 433.548 5.575 10 40 IKCB biogenic COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1 106702833 CYOFQGYTCWRZCW-UCQKPKSFSA-N 432.545 5.648 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 222697717 WCLYWWIYNIMQKJ-YFXJRYMSSA-N 437.012 6.122 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)c([N+](=O)[O-])c2)cc1 408769350 RTXBGILRIJUJTK-DEDYPNTBSA-N 441.443 5.591 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C 408883589 UZRWCRCLENZDCH-JLPGSUDCSA-N 440.543 5.588 10 40 IKCB COc1ccc(CN2C(=O)[C@H](Cc3cc(C(C)C)c(OC)cc3C)SC2=S)cc1 409142814 GCPDEPINYULQJT-NRFANRHFSA-N 429.607 5.107 10 40 IKCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409161296 MRDUJLJKKIYDSJ-RVDMUPIBSA-N 433.291 5.048 10 40 IKCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc12 409233440 SFGWIBXHBWESSP-PXLXIMEGSA-N 444.556 5.193 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl 409237674 KUBAACWAPDQMPU-HLVNSREUSA-N 449.359 5.002 10 40 IKCB Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(C)c1 2217188 KTBQOKFPNMOWBU-PDGQHHTCSA-N 445.009 5.495 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 8684626 NSIOGGRBQCULCL-RLRFCYPDSA-N 433.581 5.376 10 40 IKCB COc1cc([C@H](c2ccc3c(OC)cccc3c2O)N2CCCCC2)cc(OC)c1OC 8990170 IRUZPHLEUCAWSQ-XMMPIXPASA-N 437.536 5.155 10 40 IKCB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccccc1Br 9188920 RJJKOCMIAXVSJH-HKWRFOASSA-N 441.394 5.374 10 40 IKCB O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 13676057 IPAHQIRCYJJNPK-NCELDCMTSA-N 430.979 6.187 10 40 IKCB CCc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 35041370 INERLSAFBQRZFF-LVZFUZTISA-N 433.639 6.046 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 40867495 MURWRTOWNWFOOB-AQTBWJFISA-N 448.407 6.034 10 40 IKCB COc1ccc(Sc2ccc(/C=C3\C(=O)N([C@@H](C)c4ccccc4)C(=O)N=C3O)o2)cc1 41108827 QRVQPWUJRTZFHP-CPOQMQJTSA-N 448.500 5.503 10 40 IKCB Oc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NC2(CCN(Cc3ccccc3)CC2)N1 80324920 AORGQCQAKHXIQC-VWLOTQADSA-N 429.539 5.047 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(I)cc3)cc2)C1 260466538 UHWIKXVNPAZDEO-HOTGVXAUSA-N 448.348 5.019 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5ccccc5)CC4)=NC3=O)o2)cc1 1471547 YHJFUOOCELGKRL-QJOMJCCJSA-N 429.545 5.048 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830508 BGDKARZMNDYRPP-KGENOOAVSA-N 448.525 5.580 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)S2)cc1 208236793 BXBPIJDHPIECRA-PGECNJAHSA-N 449.620 6.198 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1O 224167220 VKPGTMZADCGZHG-DQEYMECFSA-N 440.572 5.372 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(Br)c3)C2=O)cc1 408844867 VDNHRIVILYIENO-FYJGNVAPSA-N 435.296 5.731 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 409138809 IIIAZPQCAOQPOH-HZHRSRAPSA-N 434.536 5.902 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(C)cc1 2847821 JVJIFMQKRHFPIH-UNOMPAQXSA-N 448.009 5.847 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N=C2S1 8453006 ZDCBBPDCCPSMFA-NIHHYISTSA-N 433.320 5.529 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1 8821882 UQNXOJYRVBOLKF-FYJGNVAPSA-N 433.489 5.808 10 40 IKCB CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 9295805 DBUZSBVPSBTEHP-HMAPJEAMSA-N 436.964 6.551 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1O[C@@H](C)CC 10131010 JNXILAPXFCAUEC-SAIXKJTDSA-N 444.416 5.246 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 10435022 PNLBZHGDVCDDDC-GDNBJRDFSA-N 441.452 5.031 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1O 12469917 NNCJAYXNWGCZMG-GDNBJRDFSA-N 442.400 5.087 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)N=C2S1 41082981 YMDZUPBNICRLGN-OSZNWEDFSA-N 436.512 5.070 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)c1C 223052050 VPFRECQFFDFVDQ-RPBOFIJWSA-N 448.636 5.061 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)C1 260578987 YPSJRFBGBPZYTA-SFTDATJTSA-N 437.603 5.151 10 40 IKCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1C(=O)c1ccccc1Br 408719121 JMLCOWBMBUVCTG-LVEAOLTQSA-N 430.348 5.047 10 40 IKCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CNc1ccccc1Cl 408722243 RXNNSKDADCUEDT-OQLLNIDSSA-N 439.787 5.373 10 40 IKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Br)N1c1ccc(O)cc1 408756892 YAWIRNNECCLRLF-DEDYPNTBSA-N 437.268 5.128 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1C 408960040 IKEZESDSCIDVRC-HAHDFKILSA-N 430.573 6.201 10 40 IKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409022740 RMBJCUSXSZNMGS-JMIUGGIZSA-N 444.358 6.168 10 40 IKCB Nc1c(C(=O)c2ccc(F)cc2)sc(Nc2ccccc2)c1-c1nc2ccccc2[nH]1 6017281 NEESTLWIOULMAN-UHFFFAOYSA-N 428.492 5.987 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1Cc1ccccc1 9933390 LYRIILXCTMJWDX-HAVVHWLPSA-N 448.478 6.322 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 16161011 YEHJFYXTUDNMQB-HAHDFKILSA-N 425.919 6.149 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3cc(Cl)cc(Cl)c3)C(=O)N=C2S1 41083363 FZRFJDZPUGFECU-QNPDVEALSA-N 432.336 5.203 10 40 IKCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O 223516232 JXEISMKOFMDYAI-MBTVCVBTSA-N 442.581 5.003 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)SC2=S)c1 409327927 NQXRRSBWYUFILR-HZHRSRAPSA-N 443.618 7.121 10 40 IKCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)cc1 409331273 NNONKLZQHJAULD-HYARGMPZSA-N 448.569 5.621 10 40 IKCB CCN(CC)Cc1cc(C)c(O)c(/N=N/c2ccc3c(c2)c2ccccc2n3CC)c1C 5390016 JJSLUFHSPFTKPE-ZQHSETAFSA-N 428.580 7.394 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 6089560 FDLIDSSHLDAKTN-KRKXHZOKSA-N 431.963 6.411 10 40 IKCB CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 16713612 HYWUJJCRENJLRV-STZFKDTASA-N 449.601 5.468 10 40 IKCB CCn1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)c2ccccc21 33590244 LKQPOOQJXKIRHG-YVLHZVERSA-N 427.382 5.187 10 40 IKCB Oc1ccccc1C1=NN2[C@H](c3ccsc3)Oc3ccc(Br)cc3[C@H]2C1 102005940 GORQYQJYNCVMMB-XLIONFOSSA-N 427.323 5.459 10 40 IKCB CCN(CC)c1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 223236201 MBCUSQPRZSXHEP-UHFFFAOYSA-N 447.417 5.288 10 40 IKCB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN(CC(C)C)CC(C)C)c23)cc1 8717863 TVPVRJMNWDTPLE-UHFFFAOYSA-N 438.568 5.822 10 40 IKCB CCOc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1OC 9188927 XGYUUVIITNBCBU-QJOMJCCJSA-N 436.577 5.019 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 9232532 SXJIPTVJUAEJMF-UDWIEESQSA-N 436.514 5.877 10 40 IKCB CCn1c(S[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccncc1 9469208 GAMXGICPYWEFOH-GOSISDBHSA-N 431.565 5.131 10 40 IKCB O=C1NC(=S)S/C1=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 13739472 DYHJHZBHOUOJLY-GQBVICOWSA-N 441.581 5.531 10 40 IKCB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)ccc2O)N3)C1 15945720 XTKDSGVCZBCGGC-ADLMAVQZSA-N 449.414 6.186 10 40 IKCB CCCCCCOc1c(Cl)cc(/C=C2/SC(Nc3ccccc3)=NC2=O)cc1OC 33655900 AAJWBWOLOVXWNZ-HMMYKYKNSA-N 444.984 6.390 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)S2)cc1 35646404 AKSVOJDZCYDNFW-UNOMPAQXSA-N 439.334 6.100 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc2ccccc2c1 100510986 MIHJSQVERHGULI-KQEYZTLISA-N 425.517 6.147 10 40 IKCB CN(C)c1ccc(/C=C2/c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 102643493 QZSDQVYTWIDFOR-NVMNQCDNSA-N 432.392 5.047 10 40 IKCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144231083 FULMSTYSRZWCEG-MTJSOVHGSA-N 449.488 5.252 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Br)cc3)C2=O)cc1 408766540 VHTUFMSMZCBUTK-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)c1C 409134073 RSPBVSSGFZYMNH-KOEQRZSOSA-N 444.600 6.380 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 1411627 IROIXWYKEQVUKJ-ZDLGFXPLSA-N 449.384 6.209 10 40 IKCB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 5972957 MVVPIAAVGAWJNQ-BJCBFJDFSA-N 439.640 6.902 10 40 IKCB COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1 8495962 LVPZLTCMOHQMRF-ALRRYEELSA-N 439.924 5.095 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 9188453 HXYTYKSOYXSQCQ-ZHZULCJRSA-N 439.646 6.701 10 40 IKCB Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(Cl)c(Cl)c1 13141786 TXVYANYQVKUWDA-UHFFFAOYSA-N 437.710 5.489 10 40 IKCB O=[N+]([O-])c1cc(/C=C/c2nc(-c3ccc(Cl)cc3)cs2)ccc1N1CCOCC1 25391835 CMLLOPFNTHJPNO-KRXBUXKQSA-N 427.913 5.379 10 40 IKCB COc1cc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)ccc1OCc1ccccc1 96663287 BQKKHJKNYDBMDG-HZHRSRAPSA-N 430.529 5.665 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 222700591 UHOYKPULZNYVTL-KSNOWIBYSA-N 430.621 6.085 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)c2ccccc21 409201862 QSPFSUXUCNCWCH-OQKWZONESA-N 442.946 6.281 10 40 IKCB Cc1c(O)c(CN(C)C[C@H]2CCCN3CCCC[C@@H]23)cc2c(-c3ccccc3)cc(=O)oc12 1565520468 SKGJXNFIFMTYGG-BWKNWUBXSA-N 446.591 5.170 10 40 IKCB biogenic CC(C)(C)CC(C)(C)NCc1cc(C(C)(C)C)cc(CNC(C)(C)CC(C)(C)C)c1O 1679830 OCGKRRNLIFTSSS-UHFFFAOYSA-N 432.737 7.299 10 40 IKCB COc1cc(C)c(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1C(C)C 8333887 BICFBNKBFYLVEB-QFIPXVFZSA-N 427.635 5.531 10 40 IKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 9311262 PWBPGPDGWKKPMR-RELWKKBWSA-N 439.515 5.912 10 40 IKCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(NC(=O)c2cccs2)c1 9847309 YJHMHAFCWFFRGY-UHFFFAOYSA-N 433.577 5.263 10 40 IKCB CCOc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C(=O)O2)cc1 13940754 GWYUIMXYXXWTHD-XQNSMLJCSA-N 442.511 6.044 10 40 IKCB C/C(Nc1ncccc1C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 103920773 LPNXBINWHWOIGP-SILNSSARSA-N 425.517 5.137 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 222782976 VKMWVRBMOBFYFQ-LEWJYISDSA-N 444.526 5.500 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222965207 OKEYUWIUNVVXKE-DHIUTWEWSA-N 439.028 5.915 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1C 408854039 WCAOUVGANMEFPN-DEDYPNTBSA-N 447.922 5.031 10 40 IKCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c(Cl)c1 409144660 ZDOPPZPYTDJPDR-XDHOZWIPSA-N 438.961 5.348 10 40 IKCB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2/N=N/c2ccc(N(C)C)cc2)cc1 409179241 QFUIIOVWHNLHKG-CYYJNZCTSA-N 445.475 5.133 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC 409343737 GDRSASPATIONRF-BOPFTXTBSA-N 437.945 5.682 10 40 IKCB CCN(CC)c1ccc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc1 13511675 PQGQJJKFPISUFS-FBIWUZAXSA-N 449.605 5.043 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1 13616209 INONWRWTNGLOPG-WJDWOHSUSA-N 441.270 5.228 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Br)C2=O)cc1 27519451 CIWGLHBXLXTNSR-XDJHFCHBSA-N 432.317 5.929 10 40 IKCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 44904554 SDFQTDLAMUMNQF-UHFFFAOYSA-N 425.576 5.170 10 40 IKCB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1 224201102 VPUCDDTZNSKJPF-FTJBHMTQSA-N 438.600 5.975 10 40 IKCB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225656263 NDGOYAVZSRZWIQ-IBGZPJMESA-N 439.625 5.456 10 40 IKCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1 408526403 BFYBSIPBTIUQRS-ZROIWOOFSA-N 449.692 5.038 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(C)cc4C)C3=O)cc2)cc1 408536417 ZIVVWFHJEAMOJP-HZHRSRAPSA-N 447.650 7.169 10 40 IKCB Cc1ccc(C(=O)N2N=C3/C(=C/c4ccc(N(C)C)cc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 1505534852 XNAPGUVZIOTNMP-MEJBAGHLSA-N 449.598 6.498 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C(F)(F)F)=NN1c1ccccc1 33441881 JVGCBGLXGNDMCT-FOWTUZBSSA-N 427.338 5.203 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4Cl)C(=O)N=C3O)c2C)cc1 33888994 VAIRCRURMFELIG-CPNJWEJPSA-N 433.895 5.563 10 40 IKCB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35646880 DONUZBMWKFLWLE-HMAPJEAMSA-N 441.468 6.090 10 40 IKCB Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1 58846935 BRZQOULJZLVVDQ-WZOHSFFVSA-N 434.536 5.761 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59136424 WSNLRKOLNPCSSM-XMHGGMMESA-N 446.503 5.385 10 40 IKCB Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1ccc(Br)cc1Br 100458980 XEMJYCFOXXWLDL-WCWDXBQESA-N 447.134 5.975 10 40 IKCB COc1ccc([C@@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@H]2c2ccccc2)c(OC)c1 106596923 WMPNNQAGXROZLX-OFVILXPXSA-N 438.483 5.574 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222970281 OJUSNJYRXMVZTA-AZGAKELHSA-N 446.664 6.187 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1C 225018357 COLWLRWQWTZKMQ-CLJLJLNGSA-N 444.648 6.021 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1Cl 409190921 BKYFRHPWMZFMAG-UDWIEESQSA-N 443.355 6.642 10 40 IKCB CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 2208909 VFVZYZJRXUZGHY-PGMHBOJBSA-N 438.618 5.025 10 40 IKCB C/C(Nc1ccc(C)c(C)c1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17094839 OFASHJKKYXYLJX-NKFKGCMQSA-N 426.476 5.349 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3O)C(=O)N(c3cccc4ccccc34)C2=O)c1 59484892 KPVFWOPZQAQNPR-HAVVHWLPSA-N 448.478 5.437 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(Cl)cc4)C3=O)n2)cc1 100510792 SQYJYIHTOCYRNH-IUBFCHALSA-N 425.901 5.347 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c(C)c1 222925542 GYRSQYSLQWCBQC-AZGAKELHSA-N 446.664 6.043 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2Cc2ccccc2F)C1=O 408882137 LIVYYAPNKJNPQI-XSFVSMFZSA-N 448.881 5.045 10 40 IKCB Cc1cccc(COc2ccc(C[C@H]3SC(=S)N(CCc4ccccc4)C3=O)cc2)c1 409159874 AVRTZPAKCKQLIT-XMMPIXPASA-N 447.625 5.588 10 40 IKCB CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=C1\SC(=S)N(C)C1=O 8397467 ZDXRDUUIYLUIBE-KPNKYRRCSA-N 436.627 5.797 10 40 IKCB Fc1ccc(N2CCN(C(=S)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)cc1 8843378 MNNLPLACZAUDMG-UHFFFAOYSA-N 435.351 5.890 10 40 IKCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)c1 106681103 GEMAMYKBCVUSJM-ODLFYWEKSA-N 439.876 5.535 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4cccc(C)c4C)=NC3=O)cc2[C@H](C)CC1(C)C 208319176 ZDELQZKPFHNFHE-YNJLWJOVSA-N 447.648 6.806 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c(C)c1 222835259 JBJWVOCMAGRSQX-ZCYQVOJMSA-N 432.637 5.795 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)c(OC)c1 408751621 ANSSARIFDYYDTD-HYARGMPZSA-N 432.907 5.500 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)S2)cc1 408776677 PLUWXCDSNQUNFQ-RISWYLRJSA-N 431.605 5.873 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1Cc1ccc(Cl)cc1 409242281 WOQUSUPHIIRPOP-UDWIEESQSA-N 430.932 5.706 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCCCC2)c1O 1768869 GCOVSFFYWXUGEY-UHFFFAOYSA-N 434.561 5.714 10 40 IKCB biogenic CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cc(Cl)cc(Cl)c4)N=C3C)o2)c1 8442993 IMLXVRWBEDDTIM-MTJSOVHGSA-N 439.298 6.262 10 40 IKCB Cc1oc2ccc(O)c(CN3CCC[C@H](C)C3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 8717868 ZBNYQXNSNSVCTO-AWEZNQCLSA-N 446.469 5.950 10 40 IKCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc2ccccc2c1 8765638 BOUTZAOPCGCCIJ-ZHZULCJRSA-N 436.533 5.209 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 9234166 DCGPUHBHUIYMSY-XDHOZWIPSA-N 449.359 5.067 10 40 IKCB Cc1cc(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)n1-c1ccc2c(c1)OCO2 13141756 YZMHEHQZNXWLAO-UHFFFAOYSA-N 446.286 5.169 10 40 IKCB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225669226 CAAXYJBUCCXMKU-SJLPKXTDSA-N 425.598 5.066 10 40 IKCB CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O 260567768 MQSRNNNFRVLDIR-MBTVCVBTSA-N 444.597 5.095 10 40 IKCB CCOc1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1 408736179 JVBRPMAVXNBBLK-VHSZZVNMSA-N 449.953 7.283 10 40 IKCB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 409013651 CHTDMFWZIDLMBO-XNTDXEJSSA-N 445.233 5.059 10 40 IKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OC(c2ccccc2)c2ccccc2)cc1 409175738 BNGMLQZGOIHCNB-QVIHXGFCSA-N 435.527 7.114 10 40 IKCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1 408985020 KKGAMOVKIGTFMI-UDWIEESQSA-N 434.322 6.667 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(OC)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@H]21 409155801 CSZCQBFHUXZGDM-XEKQOVJPSA-N 431.286 5.201 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Cl)c1OCC 409198022 UVONHPANYVPDCG-GZTJUZNOSA-N 436.986 5.093 10 40 IKCB O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc2sc3ccccc3c2s1 8742900 RTWHURUPWWGLJS-UHFFFAOYSA-N 439.517 6.144 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N=C2S1 9660201 AMGNVMMQDCCWBX-OLKKAHHKSA-N 447.347 5.919 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c2C)cc1Cl 59109532 ZPMUQEFXIIEIRG-UDWIEESQSA-N 439.943 5.691 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc2ccccc12 222825786 UBUUNYCRCJQQGR-FTJBHMTQSA-N 440.616 6.023 10 40 IKCB CC1(C)CC(=O)c2cc(-c3cccc(Br)c3)n(-c3cc(F)cc(F)c3)c2C1 2512860 VNXANQPVGXHJAR-UHFFFAOYSA-N 430.292 6.340 10 40 IKCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 8444849 CPVLNVZYWUHGKV-HKOYGPOVSA-N 440.503 5.276 10 40 IKCB Cc1cc2nc(N3C(=O)/C(=C/c4ccccc4O)N=C3c3ccccc3)sc2cc1C 8894611 MQOSICKBGISJPV-ZHZULCJRSA-N 425.513 5.453 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 9188523 OVDKLWOWEZXRGY-HMAPJEAMSA-N 435.545 6.119 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)cc1 17045113 ZYVRDKJBLGFTOX-NOEYKIMYSA-N 446.528 6.451 10 40 IKCB COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)SC2=S)cc1 32593915 IPDLFXGDCZBRRB-KGENOOAVSA-N 439.533 5.538 10 40 IKCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Sc2ccc(Br)cc2)o1 41155233 IHWHZOGIGCCQEF-FOWTUZBSSA-N 449.395 5.650 10 40 IKCB COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(Br)c2)C1=O 98086622 QDSKMRDUBZPTOO-NVNXTCNLSA-N 440.771 5.517 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)CC1 225656920 UKVIWADJYJHDQV-FQEVSTJZSA-N 437.653 6.292 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3cccc(N4CCCC4=O)c3)cc2)C1 260733058 DWIPCJOVSVZERK-OALUTQOASA-N 436.625 5.097 10 40 IKCB Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1C 408726487 TUZFEUQTBQZHOU-AMQQTSRNSA-N 445.569 6.830 10 40 IKCB CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2ccccc21 409204176 CSUGTOVJTOPACQ-DEDYPNTBSA-N 433.338 6.513 10 40 IKCB COc1ccc(CNc2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CCC3)cc1 920833 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10 40 IKCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225021062 CGNMWBTYJQLEOP-GOTSBHOMSA-N 431.609 5.108 10 40 IKCB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 408867769 NJINDOOYSIVLFJ-PCLIKHOPSA-N 438.527 5.177 10 40 IKCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 1023098 KKQFZVYERDTZSB-CXUHLZMHSA-N 425.453 5.128 10 40 IKCB CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S 2967071 JRHXVNDHWRCULP-OCKHKDLRSA-N 447.412 6.218 10 40 IKCB CN(C)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 8408056 GJUDEJGBNRYVLA-UHFFFAOYSA-N 431.539 7.269 10 40 IKCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 9193108 CRTLALLMLZFJIT-VPOOPXLYSA-N 443.985 5.077 10 40 IKCB O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Br)cc1 13953654 KNBBDHBCLKBVLX-UHFFFAOYSA-N 429.748 5.027 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 18173584 ZECGSTGJDMTRMU-ZRCGQRJVSA-N 430.891 6.306 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 33915637 MVIIBGIZCZPPJB-HRRBDRACSA-N 425.945 5.023 10 40 IKCB CC(C)CN(CC(C)C)c1ccc([C@H]2OCCCN2Cc2ccccc2)cc1[N+](=O)[O-] 59489924 DWTQWACFJKIPNS-RUZDIDTESA-N 425.573 5.634 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4cccc5ccccc45)C3=O)n2)cc1 100510760 XMAMWZYMTSQVTA-KQEYZTLISA-N 441.516 5.847 10 40 IKCB COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 102467044 AEVSGZIHCSFHNW-XDHOZWIPSA-N 438.486 5.269 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 103557473 USLGDGNJSWQXQP-HZHRSRAPSA-N 447.332 5.834 10 40 IKCB CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)S1 409024978 OOXLMGUMNFRCMN-MTJSOVHGSA-N 436.920 5.179 10 40 IKCB CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)c1C 3286517 RAKFHETWAWSGIC-UHFFFAOYSA-N 444.506 5.692 10 40 IKCB Cc1ccc(/N=N/c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2O)c(C)c1 4416667 GVDFNLGUMKHGRD-MDNZCRNZSA-N 426.454 5.792 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCC(C)CC3)C2=O)cc1 8819784 NXIKMVMZCOGKNQ-SILNSSARSA-N 430.639 5.015 10 40 IKCB Cc1cc(O)c(Sc2nc3ccccc3s2)cc1NS(=O)(=O)c1ccccc1 8870313 FVYYZQALEFDYMJ-UHFFFAOYSA-N 428.560 5.262 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1c(OCc2ccccc2F)ccc2ccccc12 9056966 AWWFHWYNEWFTRQ-UHFFFAOYSA-N 446.474 5.702 10 40 IKCB CCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3cccc(C)c3C)n2)SC1=S 12763559 KMEAQYYYOWEFTD-LICLKQGHSA-N 431.608 5.056 10 40 IKCB Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccccc2)cc1 44086322 UFXORRPLJIICQH-UHFFFAOYSA-N 447.991 6.291 10 40 IKCB CC/C(Nc1ccc(OC)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100157971 YVCORNSUYACVMH-SAPNQHFASA-N 446.454 5.346 10 40 IKCB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1C 260740028 RVUBLMRHXMVTPT-FUHWJXTLSA-N 425.598 5.066 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 260772144 MMCNJHRNFCOQIE-DKLXNKCPSA-N 432.593 5.477 10 40 IKCB CCN1C(=O)/C(=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)SC1=S 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CMTMQJUACHQGKX-UHFFFAOYSA-N 431.388 5.747 10 40 IKCB CCn1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N=C2O)c2ccccc21 33480526 JDUMASRULRUNTO-YVLHZVERSA-N 443.450 5.352 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1F 223344626 IXOZCEQGNHPEOB-DNQXCXABSA-N 446.551 5.394 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc21 223494202 FOHCSONGHRUFNO-OYKKKHCWSA-N 446.616 6.642 10 40 IKCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223601026 DGVHJIVOVHYWND-OVBDPADQSA-N 445.563 5.162 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1OC 408759945 OSHXIXQZIMAEJR-DEDYPNTBSA-N 436.870 5.331 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 408848726 YAVAQNAIJHRNDG-KGENOOAVSA-N 448.906 5.200 10 40 IKCB O=C1C(=Cc2cccn2-c2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 408855928 HJNUYSVUDWNVIB-UHFFFAOYSA-N 449.535 5.226 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)SC2=S)cc1 409348290 RYLWNDHHWKOGNY-HMAPJEAMSA-N 435.570 6.041 10 40 IKCB CCCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 9188381 WZCAPGJEPJIMKT-KGENOOAVSA-N 427.591 5.584 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1 41083739 HXAPKJWKNMAOFD-PSVHDLGESA-N 441.354 5.024 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4)c3C)N21 222697552 SKTZDCCDOILRJT-SXSPYAJSSA-N 437.012 6.122 10 40 IKCB Cc1ccc(-n2[nH]c(C)c(N=Nc3cccc(-c4cccc(C(=O)O)c4)c3O)c2=O)cc1C 261170497 SVOQIEJWJCQGDQ-UHFFFAOYSA-N 442.475 5.577 10 40 IKCB CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl 408780142 TUSXQOOQVQPKCV-UHFFFAOYSA-N 446.890 5.322 10 40 IKCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C1=O 409137744 XKDPVHKWDUEPLB-HAHDFKILSA-N 448.544 5.951 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1 2165265 WUOARFMUCWVAPU-XKZIYDEJSA-N 436.964 6.605 10 40 IKCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 9310325 LCCOTZRGEBYIAU-JMIUGGIZSA-N 440.355 5.171 10 40 IKCB Clc1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@H]3CN42)c1Cl 17264718 OOLWDDHOESJTDM-QXGCJCELSA-N 444.405 8.041 10 40 IKCB O=C1N=C(N2CCCCC2)S/C1=C/c1cccc(NC(=O)c2ccccc2Cl)c1 84500256 DZWWGYGJSYSNMN-XMHGGMMESA-N 425.941 5.049 10 40 IKCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 223780432 HZBCVSHQKMBVBU-JWQCQUIFSA-N 440.572 5.366 10 40 IKCB C[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 225667854 JJDXLSQNYLAILV-CVEARBPZSA-N 432.431 5.733 10 40 IKCB Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(Cl)cc1 408972208 NLDOGEUZESJOJP-MOSHPQCFSA-N 443.856 6.096 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3C)C2=O)cc1 9311252 GMIDUXSSHFSNGE-HMMYKYKNSA-N 446.344 6.237 10 40 IKCB COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(Br)cc2)cc1 408766286 TXWXFBRDWVVJED-CPNJWEJPSA-N 439.334 5.354 10 40 IKCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 409013211 MHBKITQHIJZHJV-RSZPVBOMSA-N 440.565 5.205 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1O 409182062 IFLRWDZQVIKKPA-CHHVJCJISA-N 444.336 5.643 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O 409337988 AURBHQHBSPFJEK-OVCLIPMQSA-N 426.346 5.504 10 40 IKCB O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(Br)cc1 409344534 JQFSPJDRUMDJJX-MDWZMJQESA-N 445.190 6.162 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl 1220685 BOBVICOIQHUTGD-SXGWCWSVSA-N 440.373 5.412 10 40 IKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCCc2ccccc21 1340079 IMLBYJXZIUBXNE-UHFFFAOYSA-N 440.012 5.931 10 40 IKCB COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)o1 8965969 NNPUCVSIVDOQHB-QGZVFWFLSA-N 433.533 5.516 10 40 IKCB CCCCOC(=O)c1ccc(NC2(c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1 9228512 ACNFLFVQPRRPIR-UHFFFAOYSA-N 443.499 5.039 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)ccc1Cl 14470774 RIKOIBZBXNCHGC-GBNMTWHSSA-N 430.118 7.035 10 40 IKCB COc1cccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1 15134120 IXFMUCOVOMZETL-OVCLIPMQSA-N 425.362 5.273 10 40 IKCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1cccc2ccccc12 113831274 HJDJJPFLQCKGAF-LDADJPATSA-N 426.360 6.008 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc21 208191833 CKMNGQZWQNYXLK-GQFJFNLSSA-N 425.985 6.144 10 40 IKCB O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)Nc1ccccc1F 408735486 QNGGFPFDOTYZPC-UHFFFAOYSA-N 432.458 6.873 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2F)cc1 408751986 AYTRGQVHZYXPDJ-CIAFOILYSA-N 425.290 6.275 10 40 IKCB CC(C)Oc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 408870466 FAPSDSSCGPBSJQ-UHFFFAOYSA-N 426.472 5.057 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 408993101 CKXKCIFEVKJZES-LDADJPATSA-N 443.753 5.999 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1C 409215845 BQDHMYYFHZYKBN-WSDLNYQXSA-N 436.964 6.605 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 409341313 AZVUQHGLBUOMQX-JFENUBAZSA-N 433.982 5.932 10 40 IKCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 3066823 OSAGDZOYNQGRCV-UDWIEESQSA-N 436.514 5.565 10 40 IKCB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1c(O)ccc3ccccc13)CC2 13073391 DKBOUTGJTQJYSO-NDEPHWFRSA-N 425.528 5.710 10 40 IKCB O=C1/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)SC(=S)N1Cc1ccccc1 13573488 GJMQIZJLFDTDFV-JCMHNJIXSA-N 426.566 6.236 10 40 IKCB CCN1C(=O)/C(=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)SC1=S 33710182 FUBLUXREKKCARS-BKUYFWCQSA-N 449.553 5.338 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc4ccccc34)C2=O)cc1 408763631 OLHQSSBNTHTCAW-XLNRJJMWSA-N 437.926 6.973 10 40 IKCB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2)c1 408873451 UGSWOKDFWBIPQE-LFVJCYFKSA-N 438.527 5.177 10 40 IKCB Cc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)s1 409369386 LSDLGZDMNLQQMK-NTUHNPAUSA-N 444.390 5.301 10 40 IKCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(C)cc3C)c2)SC1=S 2874085 VBYSUUIVBIBLDK-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB CCN(CC)c1ccc(/C=C2\CCC(C(=S)Nc3ccccc3)=C2N2CCOCC2)cc1 3197450 SLDVIRPWYITBRW-LSDHQDQOSA-N 447.648 5.736 10 40 IKCB Clc1ccccc1Nc1n[n+](-c2c3ccccc3nc3ccccc23)nc2ccccc12 5053098 BRFQSECHWSJZDY-UHFFFAOYSA-N 434.910 6.005 10 40 IKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)cc1 12411772 CDRPREWFAAIKMU-RELGLDOUSA-N 436.596 5.050 10 40 IKCB biogenic,in-vitro O=C1/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccccc1 15011559 WAKXFSSJOQKGFH-KGENOOAVSA-N 448.525 5.580 10 40 IKCB Clc1ccc(Cl)c2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 36082100 YLVDTJWAJRCRPY-AUSHCKSDSA-N 439.136 6.311 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222969709 CEETWIJNBKDDCX-RPBOFIJWSA-N 432.637 5.879 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1 223855163 LMKPJWBWRDINOD-JWQCQUIFSA-N 440.572 5.372 10 40 IKCB O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1 409087614 CJSCNHNCQSVYRZ-CVHFWEDTSA-N 434.586 5.070 10 40 IKCB O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccccc1 1832195 JZPBETXWKQJPAE-UCQKPKSFSA-N 444.556 6.235 10 40 IKCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 9161391 ZZFVIIDDQLGXSR-ANPZMJKASA-N 437.613 5.512 10 40 IKCB COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(C)c2)N3)c1 14165970 IIQKVBNNKZPKIC-UMFSSWHCSA-N 446.572 5.631 10 40 IKCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)s2)SC1=S 24841653 FVHFWPLZPFMUFZ-SFQUDFHCSA-N 435.567 5.400 10 40 IKCB Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1C 32694318 FKBBJWKFXANQHP-XMHGGMMESA-N 444.647 5.765 10 40 IKCB CCc1cccc2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 58928561 UIWNNKBUTDSYOZ-RMDSEJHCSA-N 426.516 6.563 10 40 IKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1 103919314 WPEXCHNQFZJVNB-ZHZULCJRSA-N 433.430 5.483 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1 223342899 CDLNDWHECDNLQC-RPWUZVMVSA-N 428.561 5.255 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1 224397805 ULXOVFQSZBRNTE-LOSJGSFVSA-N 442.563 5.805 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 408759671 JHORJTKOIHFYOA-FYJGNVAPSA-N 436.870 5.331 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1 408768707 IINHIWCDCVMFRF-PCLIKHOPSA-N 449.510 5.222 10 40 IKCB CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c2c(OCC)cccc12 409137001 VYKHVRDRNADMQK-QNGOZBTKSA-N 446.528 5.038 10 40 IKCB Cc1ccc(CNc2nc(-c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)cs2)cc1 2647246 KSIUXZHZWJLLSW-UHFFFAOYSA-N 439.531 6.740 10 40 IKCB CC(C)(C)c1cc([C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(O)c(C(C)(C)C)c1 31771972 FAKVDARGWOYRLZ-QHCPKHFHSA-N 425.569 5.138 10 40 IKCB CCOC(=O)c1c(-c2ccccc2)csc1N/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 100209367 APDJNUNRSAQGEI-XSFVSMFZSA-N 445.544 5.619 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S 409207395 UEMKKCRMQVDYMG-BKUYFWCQSA-N 438.549 5.360 10 40 IKCB CCOc1ccc(/N=N/c2c(N)nn3c(-c4ccccc4)cc(-c4ccccc4)nc23)cc1 8453286 WHDBVSYNYHEYOA-QVIHXGFCSA-N 434.503 6.460 10 40 IKCB Cc1ccc(/N=N/Nc2ccc(NC3CCCCC3)c3c2C(=O)c2ccccc2C3=O)cc1 8856493 FRPVKDYERHFZMD-UHFFFAOYSA-N 438.531 6.626 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1 9282665 PEUGUMLZMKVOCI-PWEWXPAOSA-N 446.363 5.430 10 40 IKCB CCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(OC)c(OC)c3)c2c1N 9579512 YCDYJPSUXVSZLJ-UHFFFAOYSA-N 440.546 5.468 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 13547607 CFAUUHNKAOTTOR-HAHDFKILSA-N 431.582 5.975 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 33725189 LLDIULJHJJGCOM-HAHDFKILSA-N 447.581 5.988 10 40 IKCB CC(C)(C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc(Oc2ccccc2)c1 100075035 QYUMVFILILTGIP-HAVVHWLPSA-N 441.487 6.219 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc2C(C)=CC1(C)C 208504439 XSXZSMAJYQZCKZ-BKUYFWCQSA-N 437.996 6.444 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CC(c3ccccc3)c3ccccc3)cc2)C1 219129983 BUAJZNRRODSVAX-DHIUTWEWSA-N 426.604 6.322 10 40 IKCB CN(CCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 225571801 VHHZOOTYSWSMDD-UHFFFAOYSA-N 445.632 5.638 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1cccc(F)c1 409199882 FFZQMDGNSSYNGL-WQRHYEAKSA-N 449.450 6.510 10 40 IKCB CCC(=Cc1sc2ccc(Cl)cc2[n+]1C)/C=C1/Sc2ccc(Cl)cc2N1C 1804376 HRJUIOPFVJSVSU-UHFFFAOYSA-N 434.437 6.910 10 40 IKCB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cccc2c1=O 9795178 XPCVOHLGHCBMCO-UHFFFAOYSA-N 426.516 5.107 10 40 IKCB Cc1oc2ccc(O)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)NCc1ccccc1 9970912 OMULAHCZLIAMNR-MMTVBGGISA-N 446.591 5.777 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc21 208238726 BERBXKDOFJXGCR-CFFVULROSA-N 443.975 6.284 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Br)cc1 408760916 AXBATTMQCYTECO-XSFVSMFZSA-N 437.293 5.275 10 40 IKCB C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)coc12 2411951 AUOVCKQFQWRSAA-CQSZACIVSA-N 444.325 5.428 10 40 IKCB biogenic Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)n1C1CCCCC1 9056616 IXDJAXFKQQGXGS-XQNSMLJCSA-N 447.579 5.574 10 40 IKCB Cc1cccc(C)c1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)C1=O 15412949 QVDDYUPNYYXYGV-VWLOTQADSA-N 447.966 5.144 10 40 IKCB O=C1/C(=C\c2cccc(OCc3cccc(F)c3)c2)C(O)=NC(=S)N1c1ccccc1 33313370 XVEFAHOJFHNJSZ-STZFKDTASA-N 432.476 5.076 10 40 IKCB CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CNCc3cc([N+](=O)[O-])ccc3O)CCC[C@@]21C 33680486 ZBMNCDSLPYJJTF-QKDODKLFSA-N 436.596 6.224 10 40 IKCB Cc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)o1 95480791 WTMAATXAUSIIHI-UHFFFAOYSA-N 433.464 5.911 10 40 IKCB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc(C)c1Cl 218713523 OIYLJGYKYMYUBH-WOJBJXKFSA-N 429.004 5.838 10 40 IKCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 223780352 HZBCVSHQKMBVBU-RPBOFIJWSA-N 440.572 5.366 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 408983823 DBMAJZPBNPLSEF-PXLXIMEGSA-N 425.484 5.563 10 40 IKCB COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1 9303301 MMJRBYXDWXZYOK-HANTZDOSSA-N 432.907 5.445 10 40 IKCB C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OC)c1OCc1ccc(F)cc1 9972786 WQGSMLNEXXCTBC-MOSHPQCFSA-N 443.565 5.363 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc5ccccc45)ccc3o2)cc1 16678612 QZKOGTMONJOFEE-UHFFFAOYSA-N 435.527 6.747 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl 112293089 QIYQDEHJWLWRNU-UNOMPAQXSA-N 433.295 5.790 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc21 208460520 GIDWMOLZXKXUBR-QRVIBDJDSA-N 432.589 6.172 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 223492860 OZGSHPFWUPPYAD-HMAPJEAMSA-N 434.630 6.503 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3)C2=O)cc1 408985549 MTLIBWGDZXNUCO-XMHGGMMESA-N 436.338 6.863 10 40 IKCB COC(=O)c1ccc(C)c(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 408987319 WIDLJOXLWNNNHK-KGENOOAVSA-N 429.903 5.906 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(OCC)c1 409179405 MUAVIUHROGZLOX-GIJQJNRQSA-N 437.945 5.682 10 40 IKCB Cc1c(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc2n1C 409204280 FFSOEJAFOVPYLE-WQRHYEAKSA-N 443.391 5.655 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1Br 409348127 RMEXRGLUNPDUGM-PDGQHHTCSA-N 448.407 5.952 10 40 IKCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 1462059 QNEWSFZUVBCWBJ-ZHZULCJRSA-N 435.574 5.159 10 40 IKCB Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 3768780 NLYPUHFIWLCMDF-BUVRLJJBSA-N 445.609 6.597 10 40 IKCB Cc1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 33430165 SZQHGNMEVMCJOT-MOSHPQCFSA-N 448.009 5.636 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 34256818 FUZVLPXKNCYQGI-TUKHXMGSSA-N 445.592 5.353 10 40 IKCB Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@@H]3C=CC[C@@H]32)c1 37613797 YVIFCSCQCFPNQE-KHVXQDHOSA-N 444.600 6.239 10 40 IKCB COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)c1 58845969 KSCGJYRNSOBXCG-PPJWLVRDSA-N 446.572 5.631 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC 103917614 SCNYPJBUSFXHFU-STZFKDTASA-N 436.537 5.202 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 222720645 RIMUFWNIKJTAIM-KNXBSLHKSA-N 427.017 5.623 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)c1C 260766157 JDQONKJAVOYORL-PMWMKWCKSA-N 444.648 6.339 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 260784420 WCLYWWIYNIMQKJ-YSZBQJHXSA-N 437.012 6.122 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(F)cc2)cc1 408753793 NVZOKOMGMCAUMK-NLRVBDNBSA-N 436.486 6.212 10 40 IKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408762360 KJLRBQYSIHMAQZ-YBFXNURJSA-N 437.282 5.557 10 40 IKCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 1030953 XBQKRMFAKYUPCX-FRKPEAEDSA-N 426.346 5.070 10 40 IKCB Clc1ccc([C@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)c(Cl)c1 2063439 DACBWLIZQKHTQJ-JKDFXYPNSA-N 442.127 6.425 10 40 IKCB CCOc1ccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1 2122756 DKDHVKHOGVCNLE-UHFFFAOYSA-N 441.527 5.756 10 40 IKCB biogenic C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 9188702 UOAYBBJMUVPLAN-PAJXCOJRSA-N 431.582 6.228 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 9233023 PZSXTEXZAFGZFD-KGENOOAVSA-N 427.591 5.897 10 40 IKCB CCCCNc1ccc(NC(=O)c2c(C)cc(C)cc2C)c2c1C(=O)c1ccccc1C2=O 9359562 GWCWABLEPBMZBQ-UHFFFAOYSA-N 440.543 5.852 10 40 IKCB CC(=O)Nc1ccc(-n2c(C)cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2C)cc1 12550220 CMNKZKAVUPPYLD-UHFFFAOYSA-N 446.554 6.777 10 40 IKCB CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(CC)CC)cc2)n2c(nc3ccccc32)N1 13634866 DSAZQAUWHOOCDJ-DEOSSOPVSA-N 432.568 5.515 10 40 IKCB CC(C)n1nc(O)c2c(-c3cccc(OC(F)F)c3)c3oc4c(O)c(O)ccc4c3nc21 95477434 CIFMQVWZHZCJFT-UHFFFAOYSA-N 441.390 5.297 10 40 IKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(Cl)cc12 103918490 QTTJGRVIMSWHIR-HAHDFKILSA-N 438.934 5.569 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(Nc3cccc(Cl)c3)=NC1=O)[C@@H](C)CC(C)(C)N2C 208233109 LWVIVGFTBNTCPW-SYZMQFJCSA-N 440.012 6.453 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1 408756570 ZYCIHADOPSOCSC-LDADJPATSA-N 443.753 5.999 10 40 IKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 409171187 YONMCAHOFYTYER-WZOHSFFVSA-N 448.975 7.367 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)cc1C 409345315 LGPLUYSIFUHNJY-FYJGNVAPSA-N 449.557 5.467 10 40 IKCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(F)c1 1182872 LNOMMIXEZYCDCY-GZTJUZNOSA-N 434.945 5.099 10 40 IKCB CCOc1c(Br)cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1OC 33629582 ICLGCKFWHYGWGJ-BOPFTXTBSA-N 447.354 5.247 10 40 IKCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1cccc(Cl)c1 408532758 QXYLXYMVCUXUCZ-XYGWBWBKSA-N 445.994 6.526 10 40 IKCB CCn1c2ccccc2c2cc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)ccc21 408970756 DFOHMPUBUWUXOK-HKWRFOASSA-N 433.433 6.163 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 408997607 NMACDGOWJRUFDN-QJOMJCCJSA-N 425.484 5.143 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc2ccccc12 409023099 DGJIPARIINVWAU-MOSHPQCFSA-N 433.891 5.379 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(OC)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21 409155800 CSZCQBFHUXZGDM-WTOJCKNJSA-N 431.286 5.201 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c(C)c1 409211834 OUDGSWRJWBWYEU-WSDLNYQXSA-N 436.964 6.605 10 40 IKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 409241220 JMSDBDPBWNOWLM-RCCKNPSSSA-N 426.582 5.464 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl 409401369 XJNJWFVPRXXUEQ-UNOMPAQXSA-N 439.298 5.034 10 40 IKCB Clc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c(Cl)c1 4048157 MWPIHIXYMYKFQK-JCGVRSQUSA-N 442.127 6.425 10 40 IKCB COc1ccc(OC)c([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1 6136514 HZYMXLLRPKVOHI-MDOVXXIYSA-N 433.289 5.135 10 40 IKCB CCOc1ccc(C(=O)COC(=O)c2sc3nc(-c4ccccc4)c(C)cc3c2N)cc1 13575467 LCGUZUKKTMEFNZ-UHFFFAOYSA-N 446.528 5.292 10 40 IKCB O=C(COc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1)N1CCCCC1 14165833 UINQBVNBGHZANO-QQNWGBJXSA-N 438.571 6.058 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 100080687 IWECCNGPCWSYBA-WOJGMQOQSA-N 431.706 6.713 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222925074 ZSZJRTLNRFRRNO-DQEYMECFSA-N 432.637 5.734 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 408759107 XWRMREKPTUPWOV-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)CC 409329524 FERINZOLFSOAMD-FAPYRAKZSA-N 448.009 6.322 10 40 IKCB COc1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2304833 ILNHINHSHYTKDZ-MRXNPFEDSA-N 439.515 6.028 10 40 IKCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 9262079 KFTZCQHKBUJKJW-PDGQHHTCSA-N 436.294 6.163 10 40 IKCB COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1 11868481 ITOCXIODVQCZRM-UHFFFAOYSA-N 447.453 5.425 10 40 IKCB biogenic CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2 58846052 BYBYTVNQVDAKQP-QHWMMSMNSA-N 444.600 6.185 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1ccccc1 83297113 SYOUUJFAANWGMW-LFIBNONCSA-N 427.243 5.760 10 40 IKCB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)cc2)n1 225292045 CUZPCCOIHPEJCT-JOCHJYFZSA-N 430.596 5.276 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(N4CCCC4=O)c3)cc2)CC1 225657094 CQCGFWUMRPSDEA-LJQANCHMSA-N 436.625 5.097 10 40 IKCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCc2c(Cl)cccc2Cl)c1C 3360040 LNSKXCUVWDLQDP-UHFFFAOYSA-N 438.738 6.420 10 40 IKCB Cc1cc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c(C)n1-c1ccc(OC(F)F)cc1 12531784 SUSVPQMVFQGZDG-LJQANCHMSA-N 446.277 5.005 10 40 IKCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCSc1ccc(C)cc1 27531648 LBKAIKAHMFWERX-CPNJWEJPSA-N 431.604 5.006 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)cc3Cl)C(=O)N=C2S1 41083195 XLOCCHIRWWJKQL-UCSNHUBVSA-N 432.336 5.059 10 40 IKCB COc1cc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc(O)c1O 97993180 KHTUCWZDSWCPBS-QOBZYLRHSA-N 433.504 5.502 10 40 IKCB O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N/c3ccc(O)c4ccccc34)cc2)cc1 104389431 PSQAMBOKSPAGRZ-HXEHWPEMSA-N 432.461 6.623 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2CC)c1C 222963168 APRKXKXLGNMMSJ-DQEYMECFSA-N 432.637 5.824 10 40 IKCB COc1cc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 408736140 HVERZRSGLBATNF-SWYRRKHMSA-N 427.500 5.799 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408935018 BZMJAQMZFGKLOB-HYARGMPZSA-N 437.326 6.379 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 409079984 HFFDGZPBAYQSKR-MOSHPQCFSA-N 442.357 5.082 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(C)C 409339101 RWOVHTVZVTWFLX-UDWIEESQSA-N 448.009 6.179 10 40 IKCB COc1cc(I)cc(CNc2ccc(C3CCCCC3)cc2)c1O 2544797 QDLSQFXRNKBZPN-UHFFFAOYSA-N 437.321 5.665 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14406758 XNOHYJXHHNUNBK-ULJHMMPZSA-N 425.484 5.352 10 40 IKCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 14414986 FHNYHBQFDDLIQH-JXAWBTAJSA-N 430.331 5.299 10 40 IKCB CSC(=S)n1nc(-c2ccccc2)c(/N=N\c2cccc(F)c2)c1-c1ccccc1 104222711 GLOBJWDLGCXKBW-QPLCGJKRSA-N 432.549 7.268 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c(C)c1 222619281 BQPFSGQKXIVOGC-CYSDGLOUSA-N 430.621 6.004 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCOC)c1C 223052103 VPFRECQFFDFVDQ-LOSJGSFVSA-N 448.636 5.061 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)C1 260742236 UIYZBTYTANWULG-VQTJNVASSA-N 437.653 6.292 10 40 IKCB COC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc(OC)cc2)C=C1c1ccc(Cl)cc1 408761392 JQMCQFATDKNLKM-CYVLTUHYSA-N 445.902 5.607 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc2ccccc12 409071017 PSCUGYPVXJKMNJ-BUVRLJJBSA-N 439.490 5.479 10 40 IKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)SC1=S 409136698 UJUQOKFUMQDDFY-YVLHZVERSA-N 449.439 5.695 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c1 409248831 RJMGPWVIAJMCJX-LDADJPATSA-N 436.920 5.048 10 40 IKCB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc2ccccc12 409330000 JMBVOLGJXDYQBG-LICLKQGHSA-N 432.353 6.258 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(OC)c3)SC2=S)cc1 8821336 FBIZKDORHUTLQB-QNGOZBTKSA-N 427.591 5.842 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OCC)c1 9461841 OLEHWXZJKQWQPP-GRSHGNNSSA-N 433.982 5.852 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCOc2c(C)cccc2C)cc1 9805785 QNFRWVIFAQUSJS-XIEYBQDHSA-N 426.516 5.567 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1 13811046 VSAYGNZJZMDMSU-JFBLTNLISA-N 431.348 5.568 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=O)N=C2S1 27549215 XXGLWACDJRQOTP-OOYUFVOFSA-N 426.929 5.718 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(F)(F)F 222737970 CPPPPYHVMOMXQF-PMACEKPBSA-N 430.499 5.110 10 40 IKCB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c1 224227601 DQDLFASGBLWHCF-RPBOFIJWSA-N 439.588 5.370 10 40 IKCB Cc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c(C)n1-c1cccc(Cl)c1 408819059 XXTILNCNIYYCEB-UHFFFAOYSA-N 426.924 5.650 10 40 IKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O 409019004 ZZJFCTXXBQNZFV-PZBNQXIHSA-N 425.598 5.775 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 409054571 SIHYHBLZRDJRON-NDENLUEZSA-N 425.962 6.310 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1 409327974 ONDRKIFMTVAJMF-YBFXNURJSA-N 439.489 5.498 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3cc(C)ccc3C)cc2)SC1=S 2882728 LPRUKRDTDZOVHN-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB Clc1cccc([C@H]2[C@@H]3CC=C[C@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)c1Cl 6475248 OOLWDDHOESJTDM-NDJBCPNASA-N 444.405 8.041 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 14010052 JWSUPPLTLIENAG-ATVHPVEESA-N 432.303 5.269 10 40 IKCB Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c4c(cccc14)CC3)N2 32138911 NGBAUQBXUSMAJE-PDOGEWKWSA-N 449.335 6.370 10 40 IKCB CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)C2CC2)[C@@H]3c2ccc(N(C)C)cc2)cc1 34903625 SNHJMGYXUINGNB-OOMXROCGSA-N 442.607 5.352 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 102069712 MWPIHIXYMYKFQK-FHSNZYRGSA-N 442.127 6.425 10 40 IKCB C[C@H](NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 110493817 ZUDWFZUHOPRPLS-FLVHHRSJSA-N 448.567 5.266 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222619490 YKXBYXVUZZMYIS-WADWEFIESA-N 437.012 6.040 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 223495670 MUMBSDHPJRRVNS-XKZIYDEJSA-N 433.527 5.329 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409066777 BLJPUQXGXVKPQW-AWQFTUOYSA-N 444.293 5.637 10 40 IKCB Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C(F)(F)F)cc(C(F)(F)F)n2n1 1394442 GECIRPATOTUJFO-UHFFFAOYSA-N 430.377 5.903 10 40 IKCB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OCc2ccccc2)cc1)C3 2118700 ZZSCOFPDJWUHPU-UHFFFAOYSA-N 441.527 6.071 10 40 IKCB biogenic CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820506 FXXFDKJITZUDTL-BIXIZIBASA-N 428.623 5.015 10 40 IKCB O=C1N=C(O)/C(=C/c2c(Cl)cccc2Cl)C(=O)N1c1cccc(C(F)(F)F)c1 8994526 YHSJWPONUAZVJV-WQLSENKSSA-N 429.181 5.519 10 40 IKCB O=C(NC1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O 13892972 ICQICKUAMZBPHQ-HXUWFJFHSA-N 442.357 5.348 10 40 IKCB C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccccc1 13893947 JSABNVDEHAXQIJ-QFNCUCFLSA-N 446.890 5.146 10 40 IKCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(SC4CCCCC4)o3)C2=O)cc1 20238499 ZXIOUTOODJHVMF-AQTBWJFISA-N 426.494 5.220 10 40 IKCB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 408803839 TXSFRZKCUDBLJN-UHFFFAOYSA-N 440.951 5.958 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)cc3)C2=O)cc1Cl 408872291 CPDBTUSJBOZZCS-DEDYPNTBSA-N 448.881 5.045 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C 409073413 MWIHJVIPFILPPD-CIAFOILYSA-N 437.902 5.288 10 40 IKCB CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 8734932 XBGPSIQAWCQIJE-RUZDIDTESA-N 436.515 5.251 10 40 IKCB COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc1 8914924 ROYAWXPOURYKLU-CQSZACIVSA-N 447.453 5.425 10 40 IKCB biogenic Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1 19792864 KQNHXXAQSDRZCK-UHFFFAOYSA-N 433.426 5.604 10 40 IKCB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 21005541 VCRYBPNGMMCRML-VWLOTQADSA-N 438.531 5.092 10 40 IKCB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1c(O)ccc3ccncc13)CC2 24527566 QYNQDUWCFQODRA-HHHXNRCGSA-N 426.516 5.105 10 40 IKCB COc1cc(C(=O)Nc2ccc3nc4ccc5ccccc5c4nc3c2)cc(OC)c1OC 408975518 MJNRGUVPJODASJ-UHFFFAOYSA-N 439.471 5.214 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C)ccc3C)C2=O)cc1 408985877 NUSWAHQVVLDHCX-CJLVFECKSA-N 429.947 6.827 10 40 IKCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(C)c(Cl)c2)C1=O 2245782 GQHPAWGOSSZWCX-LSCVHKIXSA-N 435.954 5.080 10 40 IKCB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1ccc(OC(F)F)cc1 2662753 AAUPODPIPNNAJQ-UHFFFAOYSA-N 439.418 5.007 10 40 IKCB O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 8809652 WKHHQLYYQNVCOK-UBBRYJJRSA-N 445.946 5.533 10 40 IKCB CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N21 8918151 MPYSYTCCHLYARA-GSDHBNRESA-N 433.507 5.017 10 40 IKCB biogenic O=c1cc(CSc2ncnc3scc(-c4ccccc4)c23)c2cc(O)c(O)cc2o1 9982988 BBMJTRGBWZGLAO-UHFFFAOYSA-N 434.498 5.168 10 40 IKCB Nc1cc(N)c(Oc2ccc(C(=O)O)cc2)cc1/N=N/c1cc([N+](=O)[O-])cc(Cl)c1O 25693617 CENOLHYYCDBPJU-WCWDXBQESA-N 443.803 5.024 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C[C@H]1CCCO1 26967828 QNAPXNYKNJLCJG-ZLYHGVDXSA-N 440.373 5.634 10 40 IKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1 112290182 HEUPTMJUTWNVJE-PLRJNAJWSA-N 427.573 6.727 10 40 IKCB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 408740577 HCBULFQPRIVKJO-YZSQISJMSA-N 447.563 5.531 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 408894623 RWXKREJIWWHTCW-ODLFYWEKSA-N 430.331 5.878 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)CC 409340233 SOJPQTREKUOYSF-QAIWHXNASA-N 427.591 5.664 10 40 IKCB Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)oc2ccc(Cl)cc12 6747973 BUEIZOGQAYYAJZ-HXUWFJFHSA-N 426.944 5.282 10 40 IKCB Cc1ccc(C(=O)N2N=C(c3ccccc3O)C[C@H]2c2ccc(Br)cc2)cc1 9192397 XOTOGPQEHVVJLC-NRFANRHFSA-N 435.321 5.455 10 40 IKCB O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccc(F)cc1 15011550 KBXQYGSVMUUUMC-XSFVSMFZSA-N 435.501 5.451 10 40 IKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1OC)N2 36081025 JMIONYBAJGVACK-VWKPWSFCSA-N 428.326 5.461 10 40 IKCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)c1 54360611 SGWJXZSQOOKPQG-WQRHYEAKSA-N 425.462 5.190 10 40 IKCB CSc1nc2c(c(-c3ccc(N(C)C)cc3)n1)CCC/C2=C\c1ccc(N(C)C)cc1 67191206 KMODLYVAEAFBFZ-LVZFUZTISA-N 430.621 5.874 10 40 IKCB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OCC 219279225 DGZCRGQFXHUYNI-OAQYLSRUSA-N 438.612 5.530 10 40 IKCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 223199560 IXFXBXXOHOILLK-KDYSTLNUSA-N 434.624 5.837 10 40 IKCB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C(C)C 225426450 SWJAVCOMGCJMCC-FQEVSTJZSA-N 444.641 5.403 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)SC2=S)c1 409339655 KCRBYPAFHXKTLA-UDWIEESQSA-N 435.526 5.667 10 40 IKCB CCCN1C(=O)/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2OCC)SC1=S 409348347 SFMHBOOAYYINIU-UUYOSTAYSA-N 441.662 6.164 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)cc1OC 1903433 UDRUOQXXIGRIDO-QNGOZBTKSA-N 442.606 5.346 10 40 IKCB CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8425521 XMOGORDPIWNJPL-NEMUNFNQSA-N 446.388 6.546 10 40 IKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 8819074 MOQCBQDQUUGXRO-LICLKQGHSA-N 449.746 6.989 10 40 IKCB O=S(=O)(O)c1cccc(/N=N/c2cc(Oc3ncc(Cl)cc3Cl)ccc2O)c1 9183445 HACAJBRWHYOXLN-QURGRASLSA-N 440.264 5.548 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 9188564 WFHLDGRBMPJULO-MOSHPQCFSA-N 441.499 6.778 10 40 IKCB O=C1/C(=C/C(Br)=C/c2ccccc2)SC(=S)N1c1cccc(Cl)c1 9235913 MFQVQCLKNBRCSR-ZTJWTMSASA-N 436.783 6.025 10 40 IKCB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)cc1 33906040 XSCNMUZFPOISBV-ZHZULCJRSA-N 441.574 5.657 10 40 IKCB CC(C)n1nc(O)c2c(-c3cc(F)c(F)c(F)c3)c3oc4c(O)c(O)ccc4c3nc21 95477275 VEYSKOXPZVMXNN-UHFFFAOYSA-N 429.354 5.113 10 40 IKCB Cc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1 102577366 INFQZPUNNLBNLO-PXLXIMEGSA-N 447.922 5.292 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(F)c1 223345052 MYJZDWBTZCMVDD-ZEQRLZLVSA-N 446.551 5.394 10 40 IKCB CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223565536 KVZZZKBGMQGYOL-PVFDWLMNSA-N 434.605 6.424 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O[C@H](C)CC 409338623 NDLFQERVNCWTNJ-XWCAUFEOSA-N 443.590 5.677 10 40 IKCB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]21)c1ccccc1 409369384 LRYDIMAHTCSPLV-RWRLYFEESA-N 445.522 6.497 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 1168386 VOCHNBPBPGXRHT-QNGOZBTKSA-N 438.618 5.486 10 40 IKCB Cc1cc(C)cc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(C)cc4C)c2C3=O)c1 5011859 GXOCWTHFTKVSDQ-UHFFFAOYSA-N 446.550 7.183 10 40 IKCB CCCC(=O)Oc1c(-c2ccc(Cl)cc2)c2nc3ccccc3nc2c2ccccc12 9157970 QZYRSDCYMRPCBG-UHFFFAOYSA-N 426.903 6.962 10 40 IKCB CCC(C)(C)c1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)cc1 9371726 WMDZFWFNMYWLHA-UHFFFAOYSA-N 429.472 5.665 10 40 IKCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Nc1nc2ccccc2s1 9914707 QVJMYRDRRWZCJI-ZROIWOOFSA-N 448.392 5.287 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 15012617 WBIBGHFSOVMRPJ-ULJHMMPZSA-N 441.531 5.103 10 40 IKCB C/C(Nc1ccccc1-c1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17096547 LLDOBIFTZJSGOW-MEFGMAGPSA-N 429.523 6.491 10 40 IKCB O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1ccccc1 408578542 YNHWATZIUQJJGY-QNGOZBTKSA-N 446.553 5.110 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 409030451 DLRGNWXOBXGAGI-MDWZMJQESA-N 436.311 5.587 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409062279 RFGAXWFFUQSZEQ-IWIPYMOSSA-N 444.506 5.106 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(n2c(C)ccc2C)C1=O 409197508 HIMDCCAMVAZOCR-JCMHNJIXSA-N 436.602 5.974 10 40 IKCB Oc1ccc2ccccc2c1CN(Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1O 1681102 DAEYISIKMSQAON-UHFFFAOYSA-N 438.354 6.760 10 40 IKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CCC5)c2C)cc1 2680329 LIDDVCFIPVIGGU-UHFFFAOYSA-N 433.602 5.871 10 40 IKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)cc1C 3267135 MXTBCWLAGGQEJW-UHFFFAOYSA-N 446.601 5.943 10 40 IKCB Cc1cc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1 3348954 ACEFKPBUHPMOOF-UHFFFAOYSA-N 440.499 5.682 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1 17086114 VPONDTVYUKCUDO-ZHZULCJRSA-N 437.326 6.379 10 40 IKCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 40567393 ZSGGPGRCHAGXGR-OVCORXIESA-N 439.489 5.113 10 40 IKCB C[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 219238240 XTCFMSIMYVCQJA-ZLNRFVROSA-N 433.640 5.646 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(C)C 409329969 IMJDCYAULRERCR-LPYMAVHISA-N 441.618 6.143 10 40 IKCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl 409352733 YIYIRLNQZHJNGD-MKMNVTDBSA-N 445.736 5.961 10 40 IKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)N1CCCCC1 409382045 KAXIHZIKLSZQHM-VIZSFHNOSA-N 437.381 5.902 10 40 IKCB O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1ccc(Cl)c(Cl)c1 409383267 VQRFAMHAERDWBW-FRKPEAEDSA-N 434.325 5.506 10 40 IKCB C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)coc12 2411950 AUOVCKQFQWRSAA-AWEZNQCLSA-N 444.325 5.428 10 40 IKCB biogenic COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C)o2)c([N+](=O)[O-])c1 8425788 OFFJKKJFDLKNIU-ODLFYWEKSA-N 437.839 5.323 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCCCC1 8820166 IIMDBBQXRCAJLD-SDXDJHTJSA-N 437.030 5.114 10 40 IKCB CCN(Cc1ccccc1)c1ccc(/C=C/c2nc3cc(OC)c(SC)cc3s2)cc1 12575704 ZVZTZCDVJLTIDX-NTCAYCPXSA-N 446.641 7.224 10 40 IKCB O=C1N=C(NOCc2c(Cl)cccc2Cl)S/C1=C\c1ccccc1C(F)(F)F 12958940 RZCOXPYDUOGJSS-NVNXTCNLSA-N 447.265 5.704 10 40 IKCB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)cc1C 15412905 AIDJGNIGEFBJEZ-VWLOTQADSA-N 447.966 5.144 10 40 IKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 33160866 VUZRGLGTFPHDBM-CPNJWEJPSA-N 429.878 6.463 10 40 IKCB CN1C(=O)/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S 41074249 OARFEWJYGHMHIF-NVNXTCNLSA-N 440.424 5.237 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 222782922 VKMWVRBMOBFYFQ-RTWAWAEBSA-N 444.526 5.500 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 222790850 HQTFDNBTNLIRLU-YADHBBJMSA-N 425.001 5.443 10 40 IKCB O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1c1ccccc1 408721698 XDYFKLAIPXPASG-NTUHNPAUSA-N 426.744 5.214 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)O2)cc1 408742350 OLSWTZSTANCUSN-UDWIEESQSA-N 437.322 6.862 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C=C1c1ccc(Cl)cc1 408761103 HUWQLDUTROKZJW-RCCKNPSSSA-N 445.946 6.391 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409008229 WWHWPFWRCMXHBA-JCMHNJIXSA-N 447.516 5.281 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(C)C 409332964 TYCYVFYIYRGQHG-YBFXNURJSA-N 444.534 5.044 10 40 IKCB CN(C)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1 2057011 ZYWWDOBKDRZBQU-UHFFFAOYSA-N 426.303 6.120 10 40 IKCB COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OC 2388097 HRWHCXTYVDWLDR-DHDCSXOGSA-N 425.453 5.128 10 40 IKCB Cc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccc(F)cc1 3376378 BRDOAMRQKYSLJX-UHFFFAOYSA-N 435.282 5.336 10 40 IKCB Cc1ccccc1NC(=O)c1cc2cc(/N=N/c3ccccc3C(=O)O)ccc2oc1=O 5810555 CHBAPMADBCPJAX-CYYJNZCTSA-N 427.416 5.467 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 9188544 DLKXKFSVENSGMY-RZNTYIFUSA-N 435.184 6.706 10 40 IKCB O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccccc1F 113837160 GKGHAFVGQWZXCW-MKMNVTDBSA-N 429.281 5.447 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 208225526 WYWGMYIYWBBSJT-QRAWFLTRSA-N 434.605 6.262 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 214255789 DZVNHIBKPXFWNM-CIAFOILYSA-N 440.927 6.123 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)N21 222701772 MPWKEGTUXPTTDJ-UOKFIYJESA-N 446.576 5.197 10 40 IKCB Cc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 408956771 YJPAXWZSNAFKLF-ZMOGYAJESA-N 440.543 5.129 10 40 IKCB Oc1c(CNC2CCCCC2)cc(CNC2CCCCC2)cc1CNC1CCCCC1 4706018 NDPKKBMWWCJNAR-UHFFFAOYSA-N 427.677 5.659 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3CC[C@@H]2c1ccccc1 9761231 VXYAZKHVXNXSCN-ONJIFJTESA-N 441.958 6.795 10 40 IKCB COc1ccc(N2CCN([C@@H](C(=O)c3c(C)[nH]c4ccccc34)c3ccccc3)CC2)cc1 14163162 RUDKSBDRSNXUIJ-HHHXNRCGSA-N 439.559 5.231 10 40 IKCB CC1CCN(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)cc2)CC1 44854990 SUSLUMYUGIEJDS-GOTSBHOMSA-N 433.640 5.646 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c(C)c1 222925483 GYRSQYSLQWCBQC-RSXGOPAZSA-N 446.664 6.043 10 40 IKCB CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OCC 260579022 ZWGQCLBHOLILTP-SFTDATJTSA-N 438.612 5.530 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260737588 MBGSLOHAHQYIDZ-ROUUACIJSA-N 425.598 5.147 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Cl)cc1O 408987061 VFUNWYGVTIHXHZ-MHWRWJLKSA-N 442.729 6.824 10 40 IKCB O=C1c2ccccc2C(=O)C12[C@H](c1cccs1)C(c1ccccc1)=NN2c1ccccc1 3851653 VKBDXBZNISQWFJ-HSZRJFAPSA-N 434.520 5.574 10 40 IKCB biogenic CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)C2=O)cc1 9076339 FYFCQYPJTMHBMT-KWPCUBQOSA-N 448.906 5.780 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 9428566 OTSGBYTWBOUUEP-JTMDUIFQSA-N 448.906 5.780 10 40 IKCB O=C(Nc1cccc(N2Cc3ccccc3C2)c1)c1ccccc1SCc1ccccc1 20436693 NHORASMWPBGRBK-UHFFFAOYSA-N 436.580 6.751 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1cccc(Cl)c1 35058546 KOVKBHBJGAWJFN-BKUYFWCQSA-N 437.973 6.325 10 40 IKCB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)c(O)c4)C3=C(O)C2)cc1OC 102719746 RKIUPKCDMPZRHJ-IQMFZBJNSA-N 448.475 5.019 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2cccc(C)c2)cc1 408755968 QBMIRKMYZGTZNE-XQNSMLJCSA-N 427.460 5.136 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409095337 BYKXMOYUQLOPMQ-CIAFOILYSA-N 440.565 5.205 10 40 IKCB CCC(=C/c1sc2cc(OC)ccc2[n+]1C)/C=C1/Sc2cc(OC)ccc2N1C 685944466 OWMSGQYVTFXRIS-UHFFFAOYSA-N 425.599 5.620 10 40 IKCB CN(C)c1ccc([C@@H](N2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1 4575600 UKRLTVSHGLFKQM-SETSBSEESA-N 425.557 5.327 10 40 IKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 8442866 HCGQPZPNGIDDLM-HYARGMPZSA-N 432.451 5.457 10 40 IKCB Cc1oc2ccc(O)c(CN3CCC(C)CC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 8717870 CSEXFKBCUJAUMQ-UHFFFAOYSA-N 446.469 5.950 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1Cl 9136198 QRSFRNVFHXOEHP-OAWRKLJLSA-N 438.818 5.090 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 9762962 DPZQHMQXEDUVNK-WQRHYEAKSA-N 449.450 6.510 10 40 IKCB COc1ccccc1NCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 16248141 ITVOPYFOMONAJL-LZYBPNLTSA-N 425.362 5.273 10 40 IKCB COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C\c2ccc(Cl)c(Cl)c2)cc1 18193121 PCJXAYFKUBCSDU-MOSHPQCFSA-N 437.326 6.145 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1CCc1ccccc1 26965590 CSHJWYHMQNLCFZ-ZHZULCJRSA-N 436.514 5.299 10 40 IKCB CC(C)COc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 408599845 MLPNTVRYMCIRJH-ZDLGFXPLSA-N 437.508 6.146 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2sc3ccccc3c2Cl)cc1 408762950 MAJBUFLXGUOAIN-XSFVSMFZSA-N 446.934 6.837 10 40 IKCB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408901857 HZEOOMGKHZXGFV-FYJGNVAPSA-N 448.569 5.507 10 40 IKCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408986922 SSJBYHPOHAXGNY-CPNJWEJPSA-N 449.337 6.423 10 40 IKCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c1 409159387 ZVZPEUIUWSTDRE-HYARGMPZSA-N 445.544 5.078 10 40 IKCB Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4ccccc4F)c3C)c2c1C 2679293 ZXMBMTLQNFDELO-UHFFFAOYSA-N 425.554 5.830 10 40 IKCB Cc1oc2ccc(O)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)Nc1ccccc1 8717884 LVVQKFFHCMICKI-PPHZAIPVSA-N 432.564 6.100 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccccc1 8872369 MPUMGBHXFHTMRX-WOJGMQOQSA-N 432.353 6.659 10 40 IKCB COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)ccc1OC)[C@@H]1CC=C[C@H]21 9763657 VRXRAZSWEMXZGP-MRUHUIDDSA-N 428.326 5.379 10 40 IKCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 59137927 CKMMNYSTUZIOEO-XSFVSMFZSA-N 448.500 5.645 10 40 IKCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1 408756141 UBXFPJRAOYNJLE-LDADJPATSA-N 427.685 5.530 10 40 IKCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C 408756754 JGPFGHZGPQPCFT-PCLIKHOPSA-N 434.543 6.065 10 40 IKCB COc1c(Cl)cc(Cl)cc1C[C@H]1SC(=S)N(CCc2ccccc2)C1=O 409144614 MAGGOTQAXARBCQ-MRXNPFEDSA-N 426.390 5.016 10 40 IKCB Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4[nH]3)c2)c(C)c1 1926431 PDOKZMNKUUETCC-UHFFFAOYSA-N 439.562 5.146 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 8818997 CPAAFOKBILMYMB-ACSPXDACSA-N 435.526 5.282 10 40 IKCB Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCCCC4)cc3)C2=O)c(C)c1 9397380 LDEJFCCQRSTIPC-JWGURIENSA-N 431.536 5.499 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 9762143 JZYICWQTDNVOKQ-ONNBZHDSSA-N 426.929 5.799 10 40 IKCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 12412874 LGAGITVWXHNKLU-BOPFTXTBSA-N 441.270 5.758 10 40 IKCB CCCCN(CCCC)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 20230795 DFRHUOROTUSCKV-LGUFXXKBSA-N 442.607 6.307 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1 33745874 LZCKUTPMXDHPRI-QNPCYTEQSA-N 447.608 5.910 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1cccc2ccccc12 41108575 LASUUKLFXHBKCN-HAHDFKILSA-N 449.597 6.039 10 40 IKCB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)Nc1cccc(Cl)c1 44086266 CZZVYIXERHTKKX-UHFFFAOYSA-N 433.964 5.983 10 40 IKCB Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c(O)c1C/C=C/c1ccccc1 100921617 DZFARNBSBXPBEL-JXMROGBWSA-N 440.572 6.135 10 40 IKCB CN(C)c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 102928178 ZJLUVKCEHIUFQW-UZTOHYMASA-N 443.978 7.035 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1 215049129 FNLUKZGCKUVZRG-CPNJWEJPSA-N 445.382 5.532 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222874376 KMEGLCMXMUVWBD-YADHBBJMSA-N 425.001 5.525 10 40 IKCB O=C(O)c1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)cc1 408737674 UNVQHMMDDXPZSQ-WTYKIBOHSA-N 425.572 6.679 10 40 IKCB CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2ccccc21 409111379 AGMJKRSAYWPECW-STZFKDTASA-N 447.365 6.904 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 3999887 IYFBLMBSWRSJAH-NXLRRWCWSA-N 432.608 5.441 10 40 IKCB biogenic CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2cc(OC)c(OC)cc12 4428558 BRGGGILPNYRZIN-INIZCTEOSA-N 429.992 5.981 10 40 IKCB Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(F)cc1 8408083 ISJKFJVUSXVXTB-NFLXFJMZSA-N 442.519 5.538 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(O)=NC2=S)cc1 33409495 XVKABSWSIUSPOY-PDGQHHTCSA-N 438.892 5.280 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1C1CCCCC1 40006323 MESCASLRPGSPNB-STZFKDTASA-N 444.021 6.453 10 40 IKCB CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N(c2ccccc2)C1=O 59138903 XEPPQOXPANFWSZ-SFQUDFHCSA-N 441.270 5.262 10 40 IKCB CC(C)CN(CC(C)C)c1ccc([C@@H]2OCCCN2Cc2ccccc2)cc1[N+](=O)[O-] 59489925 DWTQWACFJKIPNS-VWLOTQADSA-N 425.573 5.634 10 40 IKCB CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 225691800 FJEUNCLZEVQTKY-MRXNPFEDSA-N 446.016 5.240 10 40 IKCB CCN1C(=O)/C(=C\c2cc(/N=N/c3ccc(Cl)cc3Cl)ccc2O)SC1=S 408726093 RZHBLUCVNNYSCX-HTQCFTEPSA-N 438.361 6.336 10 40 IKCB CCOc1ccc(-n2c(C)cc(/C=C3\S[C@@H](Nc4ccc(CC)cc4)NC3=O)c2C)cc1 408786443 JZWPRYXEGKLBMR-SJJVXOANSA-N 447.604 5.655 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 408995951 FXRIIUMHQTYKOF-JLPGSUDCSA-N 426.516 5.280 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1O[C@H](C)CC 10131006 JNXILAPXFCAUEC-MKVLZVNKSA-N 444.416 5.246 10 40 IKCB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc(C)n(-c3ccccc3)c2C)cs1 10191572 UFFOUYONSBJPAH-UHFFFAOYSA-N 445.544 5.592 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1 83302503 NGKUIVLWECGJFP-MOSHPQCFSA-N 425.506 5.890 10 40 IKCB CCOC(=O)c1c(-c2ccccc2)csc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 100209366 APDJNUNRSAQGEI-ZHZULCJRSA-N 445.544 5.619 10 40 IKCB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C(C)C 225001678 CPEQMOPPHVFKBW-LJQANCHMSA-N 430.614 5.157 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 260740073 SEXKHRIJQHLVIZ-PKOBYXMFSA-N 439.625 5.456 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260766265 JLYLNPTXAPLXNM-UZFJHSOTSA-N 437.012 6.040 10 40 IKCB COc1ccc(N2CCN(C(=S)c3ccccc3OCc3ccc(C)cc3)CC2)cc1 1049626 VLYXKHZHAPMFCI-UHFFFAOYSA-N 432.589 5.080 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCCCC3)C2=O)cc1 8819788 WLFHQKIOXSIDFC-JZJYNLBNSA-N 430.639 5.159 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c(OC)c1 8821570 OZXDCRKDNVJZKT-SXGWCWSVSA-N 426.346 5.416 10 40 IKCB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1 10113311 NYGQYWRVEOCLJB-UHFFFAOYSA-N 432.589 5.054 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 222701493 HKTCNSPIYPBMAI-NIJXNBFTSA-N 430.621 6.085 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222836177 QPCOZQDALRCEIH-DHIUTWEWSA-N 439.028 5.832 10 40 IKCB CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl 225665665 ZEQKZHDEWLQEAC-INIZCTEOSA-N 446.016 5.555 10 40 IKCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl 408530517 JAZUXDJDUSLTSB-ZROIWOOFSA-N 439.140 5.783 10 40 IKCB Cc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1cccc2ccccc12 408733820 AKVFAZZPCTVUED-UHFFFAOYSA-N 425.557 6.503 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@@H]21 408736436 SQLKAMKNBRNHPT-FTLABTOESA-N 425.153 6.591 10 40 IKCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1 8821178 NHBYCEULQZPWOY-AQTBWJFISA-N 430.371 5.378 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)cc1 9168375 ZYVRDKJBLGFTOX-KQRQPNSISA-N 446.528 6.451 10 40 IKCB Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)c1 19791754 PHUURGFDVKVSKZ-UHFFFAOYSA-N 447.453 5.912 10 40 IKCB biogenic N=C1/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 31842129 XYBPIFHURYQXSE-SDWZUDADSA-N 429.526 5.735 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4cccc(Cl)c4)C3=O)n2)cc1 100510836 MYHNVTIBJXPBLV-IUBFCHALSA-N 425.901 5.347 10 40 IKCB COc1cc(N2N=C(C)/C(=C/Nc3cc(C)c(Br)cc3C)C2=O)ccc1Cl 408528205 FOOFXUYQNSKEAM-GDNBJRDFSA-N 448.748 5.446 10 40 IKCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2Br)N1c1ccccc1 408845660 QVJOGUXADYMELH-XMHGGMMESA-N 448.276 5.192 10 40 IKCB O=C(O)c1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1 408903445 YABMFXYCKKVJJM-KGENOOAVSA-N 447.537 5.370 10 40 IKCB CCCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc21 409030781 FPBFBKMHLWVUEN-XSFVSMFZSA-N 425.454 6.017 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(F)F 409341608 FQWLLXUDAANUOS-WQRHYEAKSA-N 435.517 5.709 10 40 IKCB Cc1oc2ccc(O)c(CN3CCC[C@@H](C)C3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 8717869 ZBNYQXNSNSVCTO-CQSZACIVSA-N 446.469 5.950 10 40 IKCB COc1cc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)ccc1OCc1ccc(C)cc1 9188884 HEKBVXWUYXFLBY-PVFDWLMNSA-N 436.577 5.285 10 40 IKCB CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1Br 15228207 CSHOKAIUOVFXDL-SXGWCWSVSA-N 437.359 5.060 10 40 IKCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 25337228 OEXXNYMYRAPBRZ-UQQQWYQISA-N 434.499 5.354 10 40 IKCB CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 33808682 ITHUXMUDUDORRK-HMMYKYKNSA-N 434.590 5.326 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 33925283 KZFXTFSXBBIQKA-QVKWDTFWSA-N 441.560 5.523 10 40 IKCB O=C1NC(=S)S/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 59399130 STQTUGFCNTYNLM-QJOMJCCJSA-N 438.577 6.300 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(OCC)cc3)C2=O)cc1 408754406 KHABXMHCVQKKKU-XIEYBQDHSA-N 426.516 5.627 10 40 IKCB Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5cccc(C)c5C)c4C)C(=O)O3)ccc2c1 408757493 YELNXYXKPZCAGY-YUMHPJSZSA-N 433.551 7.154 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F 2165246 HSYPUNMMXYCJFT-NDENLUEZSA-N 426.900 6.128 10 40 IKCB O=C1c2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2C(=O)c2c(O)ccc(O)c21 5496177 CALRAJROXUTNDS-UHFFFAOYSA-N 432.431 5.953 10 40 IKCB Cc1cccc(Nc2ccc(Nc3cccc(C)c3C)c3c2C(=O)c2ccccc2C3=O)c1C 6443242 VFICXHXHYCLJQE-UHFFFAOYSA-N 446.550 7.183 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3)C(=O)N(c3cccc4ccccc34)C2=O)c1 59484868 FPVJLLCVJKFVPQ-HKOYGPOVSA-N 432.479 5.732 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1Cl 83292859 BBKJRRWZAXHYLA-JCMHNJIXSA-N 446.934 6.124 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(N(C)C)cc1 222617591 YOXWRAWYOHEFBP-VWMXVWASSA-N 431.609 5.144 10 40 IKCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 222788565 PIFBDGOOAPETKQ-DQEYMECFSA-N 447.652 5.328 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1F 223096278 MTJDEEJHPJAJCZ-DQEYMECFSA-N 448.611 5.933 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(F)c1 223096363 NYBUCAISQISJSH-JWQCQUIFSA-N 448.611 5.933 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC 409333772 VRLQEYKMROKXFZ-XWCAUFEOSA-N 442.606 5.344 10 40 IKCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)OC(C)C)c1 8430450 PIHJZCAHTZZOIQ-STZFKDTASA-N 447.922 5.777 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC 8821248 DNFRWJZIICVTIS-QNGOZBTKSA-N 427.591 5.842 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 14010571 VWNNOAIDPJIJBW-HAHDFKILSA-N 430.479 5.110 10 40 IKCB Oc1c([C@H](c2ccccn2)N2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12 19879783 OOEAPXRETVROJS-AREMUKBSSA-N 443.978 6.033 10 40 IKCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1 32107012 RELBRUBTDSFJAL-QGOAFFKASA-N 440.377 5.082 10 40 IKCB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)c1 106706967 UGFPBDSDSIFOBK-WQRHYEAKSA-N 431.355 5.060 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 214402646 VHAMWULOGRMLNL-YBFXNURJSA-N 435.376 6.076 10 40 IKCB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C 225669538 RVUBLMRHXMVTPT-SJLPKXTDSA-N 425.598 5.066 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12 408759636 IKPUXOPLCPLHLL-JLPGSUDCSA-N 434.499 5.086 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 408946209 YNFGAGRNAPOPBA-NLRVBDNBSA-N 446.506 5.861 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(C)C 409340475 XTMHKMAJBUNSDR-VXLYETTFSA-N 444.534 5.044 10 40 IKCB O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 409379040 UPWXBZHFAWGHAQ-LZYBPNLTSA-N 433.432 5.218 10 40 IKCB C[C@H]1C=C(/C=C2\SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)c2ccccc21 8828419 AMCYYUHFAOTLBB-HCGGYXKBSA-N 434.870 6.485 10 40 IKCB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Cl)c2O)N3)C1 8920008 CONJMRGDCCHTBY-XTZNXHDOSA-N 439.408 6.731 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)cc1 8964932 CDRPREWFAAIKMU-RMDSEJHCSA-N 436.596 5.050 10 40 IKCB biogenic COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@@H]1CC=C[C@H]21 34871227 MNMRDHYUXWCWFH-ZEVJAHDQSA-N 442.515 6.317 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C 222790905 HQTFDNBTNLIRLU-FCHUYYIVSA-N 425.001 5.443 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N(C)C)cc1 222923126 ZZUCHADNVQAHLC-JWQCQUIFSA-N 447.652 5.184 10 40 IKCB COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 409145442 QFXZVJBVOAXKQF-MFOYZWKCSA-N 425.337 5.084 10 40 IKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)c1 409172820 LOXFGLUKENNSDN-WVQJBOLRSA-N 429.225 6.747 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 409228039 STAOSVCAQHQAQL-PXLXIMEGSA-N 428.513 5.121 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(C)C 409348420 SOVKZLDOZLDNSB-UDWIEESQSA-N 431.554 5.665 10 40 IKCB Cc1ccc(S(=O)(=O)Nc2cc(Sc3ccc(C)cc3C)c(O)c3ccccc23)cc1 8439323 DDBRWNJISSPHTO-UHFFFAOYSA-N 449.597 6.423 10 40 IKCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)ccc1Cl 8872218 FZKKLDBGEDHOGS-SFQUDFHCSA-N 446.846 5.418 10 40 IKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 9188693 MUVXJUSPDJWKKK-MPGAHLTBSA-N 431.582 6.228 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 33529384 DHDAVGPUBAFEER-PDGQHHTCSA-N 438.310 6.024 10 40 IKCB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1 224320333 XAFDEBNAFKUTBO-CLJLJLNGSA-N 438.600 5.975 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)C1 260466211 IFSHFHMTUAZVRV-FCHUYYIVSA-N 444.644 6.706 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2cccc(C)c2)C1=O 408840614 DQLPHVVGISJQMA-RCCKNPSSSA-N 447.332 5.601 10 40 IKCB CN(C)c1ccc([C@@H](N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1 4187816 WSXIGQHISJGPMG-DEOSSOPVSA-N 432.593 5.402 10 40 IKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccc3ccccc23)C1=O 8763468 QQBGLXGBZGPDFK-RTMICUHXSA-N 444.581 5.626 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c2)cc1 9188704 MBPACUYLEBHRNQ-UZXDDYOISA-N 445.609 6.536 10 40 IKCB COc1ccc(N(C)CN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 16188564 YORVGDKWABYKKW-RQZCQDPDSA-N 439.389 5.297 10 40 IKCB O=C1N=C(Nc2cccc3ccccc23)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35646875 ZTKRVICWMKDTNX-HMAPJEAMSA-N 441.468 6.090 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 222866578 LHDLFFPUQOYBFD-FGZHOGPDSA-N 441.000 5.231 10 40 IKCB CCN(CCNC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1 225793272 SDGWFNIFPJJNOK-UHFFFAOYSA-N 435.662 6.100 10 40 IKCB CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccccc3I)c2C1 408721793 YRVFFILTBIJHMN-UHFFFAOYSA-N 441.312 5.904 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(C)cc2)cc1 408845816 RVQJEIUPRCUUGJ-CJLVFECKSA-N 427.460 5.136 10 40 IKCB COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)cc1 409001488 WDMDUENPZSYTBU-PXLXIMEGSA-N 430.891 5.270 10 40 IKCB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1C 1252300 KFQISZBTILRYCN-PDGQHHTCSA-N 430.982 5.187 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 9293350 SAERAADMQPRUIC-HJWIFZRKSA-N 443.935 5.162 10 40 IKCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCc2ccccc21 44085645 ZEKHHIBKMCQRPO-UHFFFAOYSA-N 442.382 5.014 10 40 IKCB Cc1ccc(/N=N\c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)c([N+](=O)[O-])c1 104366417 SMALRPZTMLNUDX-RQZHXJHFSA-N 426.432 6.430 10 40 IKCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C1=O 208327849 IECDAROZXRSRDU-QZZQKYANSA-N 444.597 5.095 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1O 225016620 VIDHFZHLDJDYNA-ZEQRLZLVSA-N 432.593 5.110 10 40 IKCB CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl 260735081 FJEUNCLZEVQTKY-INIZCTEOSA-N 446.016 5.240 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2F)c1 408760497 ZRRPFKXKBJHUOT-KGENOOAVSA-N 435.296 5.731 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 409013534 BDFWAABIOPVLIY-NDENLUEZSA-N 429.438 5.706 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 409014475 PMZHJHMIAAXLGF-UCQKPKSFSA-N 446.934 5.625 10 40 IKCB CC/C(=C(\CC)c1ccc(O)c(CN(CC)CC)c1)c1ccc(O)c(CN(CC)CC)c1 1666040 QFNJFVBKASKGEU-QPLCGJKRSA-N 438.656 6.512 10 40 IKCB in-vitro CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cccc(C(=O)O)c3)c2C1 2561610 LEBGLVOMHWPIRF-UHFFFAOYSA-N 438.321 5.760 10 40 IKCB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1ccccc1Cl 2874316 NJQVLJSEGUMTIU-AQTBWJFISA-N 449.981 5.028 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 8452942 AVKJWDCYYDPXMP-QBILMKHKSA-N 430.942 5.503 10 40 IKCB CCOP(=O)(OCC)c1ccc2c(c1)sc(/C=C/c1ccc(N(C)C)cc1)[n+]2CC 12524061 FWTLSQSBDFXBGE-UHFFFAOYSA-N 445.545 5.337 10 40 IKCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 13126529 MAYKYHGTFDHAHC-UHFFFAOYSA-N 436.559 5.559 10 40 IKCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1C 16312213 ZGUONYVJLQXCMX-BOPFTXTBSA-N 427.287 5.332 10 40 IKCB CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 19637966 CDKUMWSPYTUHBM-QJOMJCCJSA-N 443.478 5.139 10 40 IKCB Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)c1 19791753 PJSVVGVLPLVIJS-UHFFFAOYSA-N 433.426 5.522 10 40 IKCB biogenic CCN1C(=O)/C(=C\c2ccc(OCCSc3ccc(C)cc3)c(OC)c2)SC1=S 35105280 HUACHUCMTYOONS-XSFVSMFZSA-N 445.631 5.396 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(Cl)cc2)cc1 408752002 BFEXYIVBMYGPFI-KGENOOAVSA-N 433.851 5.091 10 40 IKCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCOC)C3=O)c2C)cc1 409240153 JVDPWMPLIHVKSJ-CJLVFECKSA-N 441.597 5.013 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)SC2=S)cc1 409352232 WUHAJDIXCOBKIH-CAOOACKPSA-N 445.363 5.345 10 40 IKCB Clc1cccc([C@H]2[C@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)c1Cl 6475251 OOLWDDHOESJTDM-BFIHVBEASA-N 444.405 8.041 10 40 IKCB Cc1cc2nc3c(-c4ccc(Br)cc4)c(O)c4ccccc4c3nc2cc1C 8425784 ZYXXBLXIUKJFFP-UHFFFAOYSA-N 429.317 6.688 10 40 IKCB CCN(CC)c1ccc(/C=C2\CCc3cnn(-c4nc(-c5ccccc5)cs4)c32)cc1 12580378 IAYYRUQGCDQAPZ-LTGZKZEYSA-N 426.589 6.329 10 40 IKCB CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C 13141975 PEQXGKYQMNHFFN-UHFFFAOYSA-N 444.506 5.692 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3cccc(Cl)c3)C2=O)cc1 13305917 PTJGBAIUKXGWOK-UNOMPAQXSA-N 432.014 5.457 10 40 IKCB O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 16754216 ZDVMAOAYJJIRRG-QPEQYQDCSA-N 434.291 6.418 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=c3\sc4nc5ccccc5n4c3=O)cc21 223512178 JZNCECFDVHQSMJ-QRVIBDJDSA-N 429.589 5.176 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224187102 JFQUKYAIPRMWFI-DQEYMECFSA-N 440.572 5.366 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(Cl)cc2)cc1 408840912 GGYATHUHYCBOQM-XSFVSMFZSA-N 433.851 5.091 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccccc4)C3=O)c2C)c([N+](=O)[O-])c1 408903074 UINSTGFNQOQKSV-CIAFOILYSA-N 449.488 5.252 10 40 IKCB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cc(C(=O)O)oc1C)CCCC3 9731369 MIWAUWXYMFAREM-UHFFFAOYSA-N 438.520 5.973 10 40 IKCB O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1c1ccc(F)cc1 59135638 UTTFTBRDIOLRRQ-CPNJWEJPSA-N 434.398 5.051 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409073955 UYUHKVLXEOVAHV-XYGWBWBKSA-N 440.543 5.275 10 40 IKCB Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 409246038 CYLRCTUYZCCAGF-LDADJPATSA-N 436.920 5.048 10 40 IKCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1 8821165 HCOAPXXISCCAIE-AQTBWJFISA-N 430.371 5.378 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(C)C 9232274 DWPUBUMOGZBKGW-CIAFOILYSA-N 427.591 5.753 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1Cl 13943498 RTCYHXFXPIEGKL-UYRXBGFRSA-N 439.298 5.034 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N=C2S1 27549490 MKPSIBLUYLUWHZ-OSZNWEDFSA-N 436.512 5.070 10 40 IKCB COc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@H]1CC=C[C@@H]21 58928603 OWAPDSCDWDPPMO-UFPGJGBJSA-N 431.963 7.063 10 40 IKCB CC(C)n1nc(O)c2c(-c3cccc4ccccc34)c3oc4c(O)c(O)ccc4c3nc21 95477319 PRBLFEHKWYFRHP-UHFFFAOYSA-N 425.444 5.849 10 40 IKCB CN(C)c1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cc1 96155585 BYFFMAGBUVYBFN-UHFFFAOYSA-N 425.580 5.081 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 408605916 ZEZOMSUKEZXNKU-ZDLGFXPLSA-N 444.440 5.539 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3O)C2=O)cc1 408758241 HVZFGOWYPGYCOW-ATVHPVEESA-N 438.310 6.179 10 40 IKCB COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)c1 408764666 MUWOLDGHSMUPDD-CPNJWEJPSA-N 447.918 5.837 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408942410 QQUGCSOXPCLIHX-FYJGNVAPSA-N 448.881 5.500 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(OC)cc2)C1=O 409329946 IZPLFHPLQAIRCR-XQNSMLJCSA-N 449.597 6.433 10 40 IKCB CC(=O)[C@H](CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C)C(=O)Nc1ccc(Cl)cc1 2616056 AJTPKCWNGADTNE-QHCPKHFHSA-N 436.939 5.473 10 40 IKCB CCOc1ccc(N2C(C)=CC(=Cc3sc4ccc5ccccc5c4[n+]3C)C=C2C)cc1 12492020 JYHFCZHWNHZDJG-UHFFFAOYSA-N 439.604 6.989 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C(=O)N=C2S1 13897260 PETJIQBFAWFNIP-OMYHDSEFSA-N 440.528 5.448 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccccc3[N+](=O)[O-])N4)sc2c1 58851182 JYLCYOZPCHXSOP-FUMQJTLXSA-N 439.540 7.006 10 40 IKCB C/C(Nc1ccc(Cl)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103920890 BYNGZRNLKNVWAK-QNGOZBTKSA-N 432.867 5.385 10 40 IKCB S=C(S)n1nc(-c2ccccc2)c(/N=N\c2cccc(Cl)c2)c1-c1ccccc1 104225372 YFPYVHIGODSLIT-IZHYLOQSSA-N 434.977 7.349 10 40 IKCB Cc1c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1 111671665 GJWFQMMQBBMAMC-BUVRLJJBSA-N 439.490 5.230 10 40 IKCB C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218000427 IFSHFHMTUAZVRV-YADHBBJMSA-N 444.644 6.706 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222969183 HEZAGMQBZNXQLH-RPBOFIJWSA-N 432.637 5.879 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1 223381863 MCASXGAVHNWGTP-IZZNHLLZSA-N 438.600 5.662 10 40 IKCB Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1Cl 226837908 NUOIGBKNJVBSHK-FTLABTOESA-N 442.127 6.425 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Br 409332951 SPUGXKQNKPVGMH-LDADJPATSA-N 448.407 5.639 10 40 IKCB CCN(CC)c1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)cc1 6417491 NLELBJMXLVRQLV-VGOFRKELSA-N 425.642 6.564 10 40 IKCB Cc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 8612131 MLIQRPOJJQFUOM-UHFFFAOYSA-N 432.442 5.704 10 40 IKCB aggregator Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1C 8819665 MRSBPDIXZDKFOW-PGMHBOJBSA-N 438.618 5.704 10 40 IKCB O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccccc1 9296536 SAFOZKHITHYXCI-WOJGMQOQSA-N 442.905 5.914 10 40 IKCB Cc1ccc(C(C)C)c(OCCn2cc(/C=C3\SC(=S)NC3=O)c3ccccc32)c1 9554233 MAVHSDMBBHRRHE-XKZIYDEJSA-N 436.602 5.641 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c3ccccc3C2=O)cc1 13134330 JLWRNFTVVUDBFK-VEILYXNESA-N 446.550 6.439 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 33887723 MLEJVQZSRKGHRQ-NLFWRFBQSA-N 449.555 5.433 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 41082954 NSIOGGRBQCULCL-RKQNKVCSSA-N 433.581 5.376 10 40 IKCB CC1=NN(c2cc(Cl)ccc2[N+](=O)[O-])C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 59922955 WBOCPEYOQZCXKF-BKUYFWCQSA-N 447.878 5.633 10 40 IKCB COC(=O)c1ccc(C[n+]2c(-c3ccccc3Cl)csc2Nc2ccccc2)cc1 65090463 RWJQKIXAANNANE-UHFFFAOYSA-O 435.956 5.935 10 40 IKCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1 112291601 BBOSEDGNUWNHNL-UQQQWYQISA-N 443.478 5.145 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(c2ccccc2)=NN1c1ccccc1 408601142 ISRSSZQBVMEKHW-PGMHBOJBSA-N 442.877 6.574 10 40 IKCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1 408739511 XEYAFMVMMVORRL-CPNJWEJPSA-N 446.300 5.619 10 40 IKCB COc1ccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1 2160389 XDHOWDJRXNXYSE-UHFFFAOYSA-N 427.500 5.366 10 40 IKCB biogenic Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 9209667 HSKFPLZQONRUPR-JXOFPYFMSA-N 433.581 5.493 10 40 IKCB CC[C@@H](C)N1C(=O)/C(=C\c2nc(-c3ccc(C)cc3)nn2-c2ccccc2)SC1=S 27562521 UZNHVXVJUBARRB-NISQSXRWSA-N 434.590 5.242 10 40 IKCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1F 40006125 OYILVXFHAUVAFT-JAIQZWGSSA-N 431.554 5.271 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 41083062 XSWYQHXRNJDBTC-ZQFCNSAKSA-N 433.581 5.602 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(O)=NC(=S)N1c1ccccc1F 59135838 COUMTDKDUBZUDH-RVDMUPIBSA-N 426.856 5.411 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc21 223490932 FIKBDGUJMDDFNJ-RGVLZGJSSA-N 442.581 5.085 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4cc(Cl)ccc4C)NC3=O)c2C)cc1 408816720 ZDFLPTACZURJFZ-UHFFFAOYSA-N 436.988 6.127 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2Br)cc1 408841756 KUUNGKWKZQUFQD-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C(F)(F)F)=NN1c1ccccc1 408970142 BMZZJEJONDEJSQ-ATVHPVEESA-N 427.338 5.203 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409344339 IQYQTLLZQVNXSL-WOJGMQOQSA-N 438.401 6.578 10 40 IKCB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccc2ccccc12 409349894 WNLMVJNEWJTCOR-JWGURIENSA-N 432.570 5.082 10 40 IKCB CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 9444636 KDUFMVAFFJQHFS-XMHGGMMESA-N 445.009 5.523 10 40 IKCB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1 15947597 BBSWTDNLAKNTGU-NZFNHWASSA-N 427.751 5.423 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl 112293062 VNOPYQXPYVZMIO-UNOMPAQXSA-N 433.295 5.790 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccn1 223374386 BHECDZXIVSFNBG-RPBOFIJWSA-N 439.588 5.057 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 223518274 CSHSFXAHMNBTBD-UCQKPKSFSA-N 448.657 6.811 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C 225656230 CIHRZUJMEFCTTG-LJQANCHMSA-N 439.625 5.456 10 40 IKCB CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408902297 MVAOPAJIWQAZLC-GZTJUZNOSA-N 434.380 5.642 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(C(=O)O)c3)C2=O)cc1 408983445 BRXOCPZWYCENDL-XMHGGMMESA-N 445.902 5.908 10 40 IKCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc21 409110332 BSPZKWGZLMTIKJ-JCMHNJIXSA-N 435.365 6.154 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)cc1Cl 409228610 ZXRZPDBROVQTQG-VCHYOVAHSA-N 437.952 5.015 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(OCC)cc2)C1=O 409343088 CLTFEEZDHPNANE-KQWNVCNZSA-N 449.597 6.433 10 40 IKCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 17144366 UBENISYBIXPQLA-UHFFFAOYSA-N 425.863 5.490 10 40 IKCB Cc1nn2c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(-c3ccccc3)nc2s1 41074243 ZPMRTTZURFIHMG-PDGQHHTCSA-N 448.598 5.168 10 40 IKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(OC)c(OC)cc1Br 100325931 WJUHLKNUFWFHQM-LFIBNONCSA-N 429.314 5.053 10 40 IKCB CCCCCCOc1c(Br)cc(/C=C2/SC(=S)NC2=O)cc1OCC 206938709 HXSMZWMATCWJKX-RVDMUPIBSA-N 444.416 5.296 10 40 IKCB O=C(Nc1ccc(Cl)cc1)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2 409060698 TWAPOQSOJQOIFH-UHFFFAOYSA-N 446.981 5.333 10 40 IKCB CCN(Cc1ccccc1)Cc1c(O)ccc2oc(C)c(C(=O)Nc3ccccc3C)c12 8612211 MMBKXAMEJZNKRH-UHFFFAOYSA-N 428.532 6.030 10 40 IKCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1 9233484 ILGYAUINCPKOAV-AMWUQPRHSA-N 437.594 5.041 10 40 IKCB CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N3C[C@H]1CC=C[C@H]21 9461178 LTANIYNVENJTCN-KRKXHZOKSA-N 446.388 6.546 10 40 IKCB COc1ccccc1NC(=O)CC(=O)n1nc(C)c(/N=N/c2ccccc2Cl)c1C 17194793 GNPBGPJMZIFDTK-OCOZRVBESA-N 425.876 5.246 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc(Cl)ccc1O 100163325 PEPXYLIAIZYTIR-XDHOZWIPSA-N 426.929 5.544 10 40 IKCB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1 224320416 XAFDEBNAFKUTBO-IZZNHLLZSA-N 438.600 5.975 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 409193325 IWXMGJZTYBZRPT-PXLXIMEGSA-N 434.948 6.334 10 40 IKCB 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CCOc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c(OCC)c1 409332402 QMBGOLYXSNWOSD-YBFXNURJSA-N 431.604 5.612 10 40 IKCB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 2234338 OVMTYXTUUIVOPG-VVFBEHOQSA-N 437.524 5.569 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 12274929 WKBFUTCLZTXFMR-UYRXBGFRSA-N 429.563 5.158 10 40 IKCB O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 18212567 WKHHQLYYQNVCOK-MTIDIVMFSA-N 445.946 5.533 10 40 IKCB CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc12 19793059 VSFSNTFEPJLNGO-UHFFFAOYSA-N 449.469 6.240 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222835423 GMRQUPKNLQDCHM-PKTZIBPZSA-N 439.028 5.832 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21 260924113 RRXCWULYLXFHOG-DQEYMECFSA-N 446.664 6.019 10 40 IKCB COc1ccc(C2=C/C(=C\c3cc(/N=N/c4ccccc4)ccc3OC(C)=O)C(=O)O2)cc1 408741963 MEMFZJHQBZSYKS-UZCLUYDUSA-N 440.455 6.017 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(C)=C2C(=O)OC)cc1OCC 409256448 ORGGMDLQDCBDKB-JWGURIENSA-N 449.547 5.314 10 40 IKCB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3Cl)cc1)C2=O 9202111 ONBWJGTYGLXLIH-UHFFFAOYSA-N 428.227 5.285 10 40 IKCB O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(S(=O)(=O)C(F)(F)F)c1 12561097 WVYWSPUNAATKHD-QURGRASLSA-N 425.344 5.163 10 40 IKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(C)cc2C)cc1 17096489 VTQYXOWAOOVMAW-MOHJPFBDSA-N 429.495 5.588 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2F)N1c1ccc(O)cc1 408766171 ZXBDMZGKCYJMJL-RGVLZGJSSA-N 427.262 5.673 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(C)cc2)cc1 408845227 VJDYOWUFVULTBD-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409329742 HXVYBCFCHLLOEJ-KZKLBEMASA-N 444.534 5.187 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O 409339206 FPZCJPJVOCKIRD-WQRHYEAKSA-N 433.938 5.070 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 1181550 FFFLILXCLACWJF-SXGWCWSVSA-N 440.373 5.412 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C\c3ccccc3OCc3ccccc3Cl)C(=O)N=C2S1 8916224 XGMUHYMQHYMDPI-YMINWEEVSA-N 438.940 5.194 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccccc1 9239554 RXGRWRCYCNFSFQ-HYARGMPZSA-N 435.545 5.806 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(O)=NC2=S)cc1 35191535 DOICKNIWJQKPHW-XMHGGMMESA-N 437.540 5.050 10 40 IKCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 51364654 ABIROKYSYCPCRT-GRRFOWRYSA-N 441.452 5.030 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccc(F)cc1 59135052 KJRLUHGLKACGAB-DEDYPNTBSA-N 434.398 5.051 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 59135643 CKLQLTXVBLXWMV-KGENOOAVSA-N 430.435 5.220 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 222720519 RIMUFWNIKJTAIM-WQTXXOFMSA-N 427.017 5.623 10 40 IKCB CCc1nc(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)O)n[nH]1 408631665 LDBHAIVKZKRGIA-PXNMLYILSA-N 437.352 5.299 10 40 IKCB CC1CCN(C(=S)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1 408735327 MZBQFASFFAJTHK-UHFFFAOYSA-N 437.568 6.485 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(F)cc2)cc1 408841355 IIWWMKPNLNRYJO-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 409071060 NALOLRLRNHJRNB-FYJGNVAPSA-N 437.326 6.379 10 40 IKCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 409348369 SGADFGPAOBMCBM-PDGQHHTCSA-N 434.508 5.711 10 40 IKCB CCCN(CC[C@@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 3999353 XZMRTMSMRYDEJS-MUUNZHRXSA-N 438.656 5.890 10 40 IKCB biogenic Cc1cc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)cc(C(=O)O)c1O 5663982 MZTTYRHRQVDPIL-RLPYSRNMSA-N 440.437 5.476 10 40 IKCB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc(C)c1Cl 8846151 PTMYXPTUDGJXJR-IBGZPJMESA-N 440.971 5.612 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)ccc1NC[C@H](O)COc1cccc2ccccc12 17141456 IQPJXKXGWJWACE-NRFANRHFSA-N 431.919 5.576 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 34722007 NPWDHKIZZBQCPL-NDENLUEZSA-N 447.387 6.139 10 40 IKCB COc1ccc(OC)c(/C=C2/SC(Nc3ccc(Cl)c(C(F)(F)F)c3)=NC2=O)c1 34889803 WXRZJEQIJYBMNA-LZYBPNLTSA-N 442.846 5.458 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3SCc3ccccc3)cc2)CC1 218607247 GPKBNMQQYQMYNZ-QFIPXVFZSA-N 444.644 6.706 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Br)cc3)cc2)C1 225667830 JJDXLSQNYLAILV-HZPDHXFCSA-N 432.431 5.733 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(Cl)c1 1415973 YDLGBGZPNLZPAE-WOJGMQOQSA-N 442.905 5.914 10 40 IKCB CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S 2674263 GDNSHFYGRPVIRN-JCMHNJIXSA-N 447.629 6.157 10 40 IKCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(C)c(C)c3)c2)SC1=S 2878322 VTMSHWIQEYRYRB-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)c1cccc(C)c1 9849695 OETRNWPWSIJLPW-PXLXIMEGSA-N 426.472 5.029 10 40 IKCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(-c2ccccc2)cc1 13566435 WPDHQUWQBATOAA-UHFFFAOYSA-N 439.496 6.034 10 40 IKCB Cc1cccc(Cn2cc(/C=C3\C(=O)N(c4cccc(C)c4)C(=O)N=C3O)c3ccccc32)c1 13687366 HICBSRPCMSAZDE-IWIPYMOSSA-N 449.510 5.813 10 40 IKCB S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCCCC1 104533759 FJMOPSGGQCTECU-UHFFFAOYSA-N 436.584 6.662 10 40 IKCB COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc(F)cc1 408743749 UWWIFSOZBJLAOF-XDHOZWIPSA-N 436.866 6.048 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(F)F 409344063 GNJXNUMMACXLCP-OVCLIPMQSA-N 427.881 5.356 10 40 IKCB CC(C)OP(=O)(OC(C)C)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 1869230 FCWHJPRBOKFDHS-NRFANRHFSA-N 435.461 5.815 10 40 IKCB CC(=O)N(/C=C/C=C/C=C1\SC(=S)N(CCc2ccccc2)C1=O)c1ccc(C)cc1 8722086 USEGQYVHHZLDQU-YQXVVQJFSA-N 448.613 5.405 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21 8935287 HIMBFNXQVZJWIJ-NEMUNFNQSA-N 442.515 5.666 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1 9311250 GEHQXKIGZAICAA-FCDQGJHFSA-N 448.953 7.555 10 40 IKCB CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 16736930 ITHUXMUDUDORRK-HKWRFOASSA-N 434.590 5.326 10 40 IKCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 33909730 RLKPUCVOCHMTNL-OOEDSJJISA-N 437.594 5.041 10 40 IKCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 41083500 QJSJFYXQRMAIQN-OOEDSJJISA-N 437.594 5.041 10 40 IKCB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1c3c(n4ccccc14)C(=O)c1ccccc1C3=O)C2 100707289 LBLNXFXDMUUCNF-BRRBHNQVSA-N 427.500 5.086 10 40 IKCB Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Br 225668953 BOKWGPPQOUOEHD-NVXWUHKLSA-N 446.458 6.041 10 40 IKCB CCOc1cc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 408736105 FMPDNRJLIHSUFY-VHSZZVNMSA-N 441.527 6.189 10 40 IKCB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccc(OCc2ccccc2)cc1 409052471 HXFIKYKBLKEFAD-ZXVVBBHZSA-N 430.503 6.914 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl 409322429 XCXYYISLJUOJDT-LCYFTJDESA-N 440.685 5.663 10 40 IKCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 409368294 XADCWEFVHDDBJY-VGOFMYFVSA-N 442.324 5.070 10 40 IKCB C[C@H]1CN(c2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)C[C@H](C)O1 2228383 KRQSVIUCVJBJCB-HOTGVXAUSA-N 425.488 5.396 10 40 IKCB Cc1ccccc1NC(=O)c1cc(/N=N/c2ccc(O)cc2Cl)c2ccccc2c1O 4113471 IPNNMPGILNBNKL-BYYHNAKLSA-N 431.879 6.881 10 40 IKCB COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc(Br)c1OC 9763823 NUDPKGCOKVZIDG-JCGVRSQUSA-N 431.286 5.201 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 13596066 FNDRBZHVJIXFFF-PXNMLYILSA-N 425.453 5.128 10 40 IKCB COc1ccccc1-c1coc2c(CN3CCCC[C@@H]3c3cccnc3)c(O)ccc2c1=O 36585267 FFMSSMKSIPJQKG-HSZRJFAPSA-N 442.515 5.296 10 40 IKCB biogenic CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 113855428 KSZWPKVXNJXWGE-GZTJUZNOSA-N 429.314 5.053 10 40 IKCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225014873 QTRLXUZRUQQMKM-UIOOFZCWSA-N 444.648 5.967 10 40 IKCB CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 408539578 XRSYQSAEQZQXEE-XSFVSMFZSA-N 440.927 5.274 10 40 IKCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 408737224 AOVXRJIGEMBTLH-LTGZKZEYSA-N 440.455 5.243 10 40 IKCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408743757 UXVMAMVTSVPJIX-FYJGNVAPSA-N 443.455 5.472 10 40 IKCB O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 408961010 PSSSAEXLISILOU-MOSHPQCFSA-N 430.335 5.077 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 409347466 PZJGBKITSWTLCI-XDHOZWIPSA-N 444.534 5.188 10 40 IKCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)c1 16713822 SQKANABKWGZXNJ-ONUIUJJFSA-N 448.526 5.662 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1 224164036 PVXZIHITBWVNLF-FTJBHMTQSA-N 438.600 5.975 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)N21 260752941 AKFNTNQDERCJSM-LEOXJPRUSA-N 446.576 5.167 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1 408761647 KJOQAGABVLYDJU-LDADJPATSA-N 443.753 5.999 10 40 IKCB COc1cc(/C=C2\SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc(OC)c1OC 1306969 BZNDRAQWDSCDCL-DHDCSXOGSA-N 439.320 5.102 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 9193129 QZHCVWJAKJCWDZ-ONWPUYBOSA-N 449.580 5.302 10 40 IKCB CCOc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1 59137176 LNDDIMYHPGJGMC-LPYMAVHISA-N 447.466 5.139 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 144221182 OCZYVVICKMWGLJ-JAIQZWGSSA-N 443.355 6.642 10 40 IKCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nc1c(C)nn(C)c1C 211090306 CAROCMWTLOMZHN-BUVRLJJBSA-N 443.595 5.223 10 40 IKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1ccccc1 224480937 HEASEZBLZRPDNX-BJKOFHAPSA-N 444.991 6.011 10 40 IKCB CC(=O)N(c1cccc(C)c1)c1nc(CSc2ncc(-c3ccccc3)n2C)cs1 8719157 HFBAPEIHHSLZDE-UHFFFAOYSA-N 434.590 5.829 10 40 IKCB COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)ccc1O 9065166 DTTXISQANLXPKE-CJWSQJNTSA-N 440.543 5.998 10 40 IKCB O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1ccccc1 58822019 XHYFFLGHMJDZQW-WOJGMQOQSA-N 432.353 6.659 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OCC)cc1 103918921 PSGULOMJAZFKJD-QNGOZBTKSA-N 448.548 5.362 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)CC1 218000141 SWLZAWGKHKYDOC-JOCHJYFZSA-N 444.644 6.706 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(O)cc1 223098713 DUJQZZHGHMYLLC-LOSJGSFVSA-N 446.620 5.500 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1 408760426 YMLNRSXLYMZWQX-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CC)c4ccccc43)c2C)cc1 409198788 LAINAGHHWHTJQC-XIEYBQDHSA-N 442.559 5.958 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1[N+](=O)[O-] 409340478 XUNXYXIDOHEGRP-ODLFYWEKSA-N 440.477 5.708 10 40 IKCB Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1 924775 CFPXJYVYFXQNOG-UHFFFAOYSA-N 435.524 5.678 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1-c1ccc(OC(F)F)cc1 3433413 KBDJVNKJPQFHSF-UHFFFAOYSA-N 445.487 5.285 10 40 IKCB O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 6444755 JMZLFTVBMPZFSD-RMVXJAJNSA-N 445.946 5.533 10 40 IKCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8821806 YCQTVFQMYNHDDP-CJLVFECKSA-N 449.963 5.393 10 40 IKCB O=C1N=C(NCc2ccccc2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 12437325 FYANTEODNSPILX-XDHOZWIPSA-N 439.334 5.469 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 33757698 VTWRKKAWEOCOPO-XQNSMLJCSA-N 447.581 6.070 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(OC)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 36057487 JEBCZXMFVXGEIS-CKFHNAJUSA-N 431.286 5.201 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1 80348150 LBKHMUGTHFRQMF-UYAJQHSGSA-N 446.363 5.430 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(Br)c1 409017697 GPGMZIOXLCAKJF-YVLHZVERSA-N 446.728 5.288 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21 15218443 NHXADBBAVOJIAK-LSCGWGKXSA-N 435.954 7.551 10 40 IKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C 208532787 UMSCZSYHCGAEDK-UCQKPKSFSA-N 429.564 5.418 10 40 IKCB COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2nc(Cl)oc2c1 225982648 SAFXNLUWKZDQBB-UHFFFAOYSA-N 437.927 5.178 10 40 IKCB O=C(Oc1cccc(N=[N+]([O-])c2cccc(OC(=O)c3ccccc3)c2)c1)c1ccccc1 245239163 GBGBDJNKPGJLQV-UHFFFAOYSA-N 438.439 6.051 10 40 IKCB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)N(CC)C(=S)N(c2ccc(Cl)cc2)C1=O 409012242 KARSCVUNOMKYMU-WBFOAEISSA-N 442.968 5.081 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1 409018014 PIFPMGRDVHIYPJ-YVLHZVERSA-N 446.728 5.288 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(C(C)C)c2ccccc12 409041710 VHQHYPDSUWBBNK-ZSOIEALJSA-N 433.380 5.724 10 40 IKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C1O 2442277 WNFKCNDBNWAEIQ-GXDFBKAQSA-N 449.510 5.117 10 40 IKCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 8657017 HPDSKXMSDHYJQR-XKZIYDEJSA-N 447.922 5.031 10 40 IKCB Cc1ccc(C2=NN(C(=S)NCc3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 9310217 HQSKSVJGEHEICZ-RUZDIDTESA-N 428.605 5.287 10 40 IKCB O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1ccccc1Br 12618734 RFWVCBCFHPJAQZ-UHFFFAOYSA-N 440.680 5.130 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)N1CCCC1)c(O)c1ccccc12 15441566 VNIJOMPBTBUBBP-DEOSSOPVSA-N 429.516 5.962 10 40 IKCB CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 33390939 SIAXBDHSHKFNFW-VULIGXMUSA-N 441.618 5.879 10 40 IKCB C/C(Nc1cccc(Cl)c1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100094544 ZBIQQMYJVYSRSX-XNTDXEJSSA-N 436.846 5.601 10 40 IKCB C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1 225694850 PCEFBJPCFFVYLX-ZDUSSCGKSA-N 427.923 6.007 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(Br)cc3)cc2)C1 260735499 JJDXLSQNYLAILV-HOTGVXAUSA-N 432.431 5.733 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)cc2)cc1 408527323 DFVBBERVQJTZRP-FYJGNVAPSA-N 437.586 6.691 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 408767687 ZZRJATUUJPMJOE-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1 408885230 YLYNYQOKBKAWKX-CJLVFECKSA-N 444.918 5.160 10 40 IKCB Cc1cc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)c(C)n1-c1ccccc1 408975178 IXWXJPNRAPYGEZ-FQEVSTJZSA-N 432.574 5.530 10 40 IKCB Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c(C)c1 409131517 JPVZTWXLRPRDPV-OEAKJJBVSA-N 436.621 6.636 10 40 IKCB Brc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 409176245 ZEEWUFXYZKASPQ-FBLLAGFSSA-N 448.429 7.568 10 40 IKCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(C)c(C)c4)C3=O)o2)cc1 409328236 QIZZZTVMLRAACS-LPYMAVHISA-N 433.554 6.172 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC 409338148 DWGZQOYIFHAIMF-FAPYRAKZSA-N 445.631 6.000 10 40 IKCB CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2[N+](=O)[O-])cc1 9233695 YDFSPJXXHGUGAV-NTEUORMPSA-N 446.894 5.184 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)cc1 12411775 CDRPREWFAAIKMU-NIYJGHKDSA-N 436.596 5.050 10 40 IKCB biogenic CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC 16688815 WPCJQDZAUHVPJH-YVLHZVERSA-N 439.480 5.519 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(Cl)cc3)N4)sc2c1 58851139 ZOCNNWWTRKZGLH-RNHFSVANSA-N 428.988 7.752 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1 223343731 JUZDLMWYDHIEPW-LOSJGSFVSA-N 442.588 5.563 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225018572 SWLLFWJCRCULBX-FTJBHMTQSA-N 444.648 6.021 10 40 IKCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(Cl)c(Cl)c1 408534042 UOZOZXXZMPCYLT-ZROIWOOFSA-N 439.140 5.783 10 40 IKCB CC(C)COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 408736476 VIZKGFAXOJOSPP-DXIQSLLYSA-N 445.344 6.153 10 40 IKCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)cc1 408866572 GJSZDCYVKNTJCS-CJLVFECKSA-N 444.918 5.160 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1ccc2c(c1)OCO2 409346012 MPSWIEXCNVZZPY-VXLYETTFSA-N 441.917 5.735 10 40 IKCB O=C(CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1)N1CCCC1 1340001 HSAIEOYFTRXTRE-UHFFFAOYSA-N 430.017 5.809 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1 6821596 KXJVHPNFDIIWLU-HYARGMPZSA-N 432.907 5.734 10 40 IKCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 9309754 RLKPUCVOCHMTNL-ODXNEQJUSA-N 437.594 5.041 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C1CCCCC1 13602703 HSPPDAOIBBQBIV-WQRHYEAKSA-N 438.401 6.787 10 40 IKCB Cc1cccc(Nc2cc(N3C[C@H](C)O[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 13800001 VUXYITIJBMWLIU-CALCHBBNSA-N 439.515 5.705 10 40 IKCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1C 16700632 CPTGXRSGYGRICX-BKUYFWCQSA-N 449.601 5.466 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1cccnc1)N1CCCCC1)c(O)c1ccccc12 24303251 IAQKXFGPYLIQMT-XMMPIXPASA-N 444.531 5.747 10 40 IKCB Clc1ccc(-c2cnc(SCc3ccccc3)n2Cc2ccccc2)cc1Cl 44086380 AUYSMDPKBBOKIE-UHFFFAOYSA-N 425.384 7.198 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c(C)c1 58846196 VOYIXSTYORYNCN-VVZHRXSXSA-N 430.573 5.931 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc5ccccc5c4)C3=O)n2)cc1 100510813 ADMTZQNLIIVACB-PLFNIDSXSA-N 441.516 5.847 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)N21 222701715 MPWKEGTUXPTTDJ-YRUKQIKQSA-N 446.576 5.197 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c(C)c1 222835087 JBJWVOCMAGRSQX-ILBGXUMGSA-N 432.637 5.795 10 40 IKCB Cc1[nH]c2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 864735 XYQYBSLPKZQYCI-UHFFFAOYSA-N 437.524 5.225 10 40 IKCB Cc1ccccc1N1C(=O)C(=C/C=C/c2ccccc2)C(=O)N(c2ccccc2C)C1=S 2361654 FNYSEVXPWXIMNS-XNTDXEJSSA-N 438.552 5.608 10 40 IKCB O=[N+]([O-])c1ccc([C@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 8935289 VUGPWWVPSRHYQI-UKFDBNNRSA-N 449.348 6.252 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 9281976 RROCPOUBLMUYBL-GNMKNICSSA-N 433.581 5.520 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C 222695873 LVNZTOWCSSOPBQ-ZPZUNKDASA-N 430.621 6.031 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Cl)cc4)c3C)N21 222697912 WCLYWWIYNIMQKJ-CDNPAEQRSA-N 437.012 6.122 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225014179 BAPYCIJJVNOYOF-DQEYMECFSA-N 430.621 5.713 10 40 IKCB COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3sc(Cl)nc3c2)c1C 225985626 YFWCXCQANYYDCI-UHFFFAOYSA-N 439.968 5.638 10 40 IKCB COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)ccc1Cl 408737645 FQWVANBGZIVNDZ-XMHGGMMESA-N 445.902 5.607 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409056849 ONKWVAGMIRBBAJ-ULJHMMPZSA-N 440.543 5.670 10 40 IKCB O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 409182266 JRAHRQXWGJQGTK-MKMNVTDBSA-N 444.734 5.353 10 40 IKCB Cc1ccc(/N=N/c2cc(C)ccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 12647690 YSYJMTKVVOLSHI-OCOZRVBESA-N 434.521 5.039 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14406640 ZRDIFMBJMYUQTR-UNOMPAQXSA-N 440.883 5.249 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 260783799 UHOYKPULZNYVTL-ZPZUNKDASA-N 430.621 6.085 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1Cc1ccco1 8821373 PEXNAEGVPUPHAV-NDENLUEZSA-N 441.961 5.913 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 14406652 PFSDTZHFYRMDKS-UYRXBGFRSA-N 441.911 5.015 10 40 IKCB O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccccc1 408901905 IRRSYHLOVSTIET-LDADJPATSA-N 435.486 5.188 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408975424 JZGWIYHTAOXFMK-XDHOZWIPSA-N 430.813 6.425 10 40 IKCB COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCCC[C@H]3C)c(O)ccc2c1=O 946474 HJLUWROVCFUBNV-CQSZACIVSA-N 447.453 5.567 10 40 IKCB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 9288529 AFHYWEYSDWKWMI-VWLOTQADSA-N 437.547 5.338 10 40 IKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl 12349708 KCQIRYIUXNGUOU-XLNRJJMWSA-N 430.935 6.505 10 40 IKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccoc4C)o3)c2C)cc1F 21283284 NPQMMIDISGEGEJ-UHFFFAOYSA-N 425.485 5.468 10 40 IKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2cccc3ccccc23)N1 408873805 VYBHWAKOWXOCSK-FXEKFNFISA-N 427.503 6.442 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 409081464 PINQEBBRZJRRJH-JAIQZWGSSA-N 432.351 5.626 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 409146185 RZHMFIYOHIBIHG-UDWIEESQSA-N 425.506 5.570 10 40 IKCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(C)c2)C1=O)=C\c1ccccc1 1841824 DSLCGJHPSJIZLX-RSROGPGRSA-N 436.602 5.561 10 40 IKCB CN(C)c1ccc(CNCC[C@H](Cc2ccccc2Cl)c2ccc(Cl)cc2)cc1 6672324 OQZFNXSOUBXBTR-OAQYLSRUSA-N 427.419 6.566 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)c2)cc1 9188598 FFYZRSQPQFSFDM-IWIPYMOSSA-N 445.609 6.597 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 9291694 MLEJVQZSRKGHRQ-XVIKKCDJSA-N 449.555 5.433 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cccn3Cc3cccc4ccccc34)C(=O)N=C2S1 9434782 ZVXQMWDCAOYLRZ-VHDUERLVSA-N 441.560 5.499 10 40 IKCB C/C(NC1CCCCCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17097178 LFJAOGCMMMDIOQ-XLNRJJMWSA-N 430.577 5.634 10 40 IKCB COc1ccc(/N=N/c2c(-c3ccccc3)nn(C(=S)S)c2-c2ccccc2)cc1 17130542 VAAIDCKFMBXURN-OCOZRVBESA-N 430.558 6.704 10 40 IKCB O=C(N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)c1cccs1)c1ccccc1 27025952 AGNUJDCJDFHAOY-RVGLIBJPSA-N 440.528 6.214 10 40 IKCB CN(C)c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 59418208 CTPXEPNNOOLWNM-MHWRWJLKSA-N 437.746 5.409 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1cc(Cl)ccc1Cl 100524933 HBSIOLKTUUJOJG-PZPYUUCDSA-N 444.347 6.300 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(F)cc2)N3)cc1C 107173398 SHAOQNRSKRYIJH-MVERNJQCSA-N 448.563 6.070 10 40 IKCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)C2=O)cc1 208305735 HJHFRUGTUQLLQB-HRKXOBMBSA-N 445.563 5.028 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1 222920400 JABHMNBXAWXYLW-GOTSBHOMSA-N 439.028 5.771 10 40 IKCB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1 224550602 CORXCINIKYYGPJ-RPBOFIJWSA-N 440.572 5.366 10 40 IKCB C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)C1 225779883 OENDBBBRAWFONM-HXUWFJFHSA-N 448.994 6.085 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2ccccc2)C1=O 408848590 XHANOLMVJQRWLE-HMMYKYKNSA-N 433.305 5.292 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 409012230 JYVNBGNAZDLPSM-AUQXIXNCSA-N 442.968 5.081 10 40 IKCB Cc1ccc(C(C)C)c(OCCn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 409379524 XBZXCGKDMXMAPE-UHFFFAOYSA-N 425.956 6.337 10 40 IKCB CC(=O)[C@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9307907 HXHIWHPHFWOLRQ-GSDHBNRESA-N 433.507 5.017 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 13799653 WDDONMYFQQDFSD-PDGQHHTCSA-N 430.982 5.269 10 40 IKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 25395591 JEIZJRJTBLPFRH-BYYHNAKLSA-N 426.476 5.689 10 40 IKCB O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccccc1 33920551 SGBFOKFFNWJOAV-XMHGGMMESA-N 432.863 5.426 10 40 IKCB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 216161182 MVVPIAAVGAWJNQ-LIJGZOPESA-N 439.640 6.902 10 40 IKCB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(C)c1Cl 218713630 DZEORQJEVMHSHC-UXPWSPDFSA-N 429.004 5.838 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc2ccccc12 222825864 UBUUNYCRCJQQGR-IZZNHLLZSA-N 440.616 6.023 10 40 IKCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223057987 GAUPMXMJDAVCKZ-JWQCQUIFSA-N 448.636 5.115 10 40 IKCB CCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408534745 WLZLUFRIZYZXOI-GZTJUZNOSA-N 447.318 5.147 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2ccc(C)cc2)C1=O 408758666 OURCVENMSGPZOV-RCCKNPSSSA-N 447.332 5.601 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1 408763980 HLRAFZHWHMWXDA-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2F)cc1 408841545 JPSVIDJBRVNYCJ-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 408936585 GUVABRXWCNPXNB-PXLXIMEGSA-N 430.891 5.361 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1 408972648 QGPHIRUKLHAJDO-AQTBWJFISA-N 428.435 6.088 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2ccccc2c1 409095360 AYANKVVZTQQIHW-ZVHZXABRSA-N 441.918 5.998 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 2366018 KRPHUMILPARWAW-MFOYZWKCSA-N 440.373 5.807 10 40 IKCB O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccc(Cl)cc1 11565583 PSBYRURCPADVCG-AUWJEWJLSA-N 443.764 5.193 10 40 IKCB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)o1 12563746 WPQMJXZUHNULDS-UHFFFAOYSA-N 426.520 5.050 10 40 IKCB COc1ccc(-c2cc3ccc(O)c(CN4CCCC[C@H]4c4cccnc4)c3oc2=O)cc1 20763638 IJXJLSYYFJGVIV-DEOSSOPVSA-N 442.515 5.296 10 40 IKCB biogenic N=C1/C(=C/c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(C3CCCCC3)=NN12 41076362 GYDBKTBRUQAVFB-DHKQOHTGSA-N 437.956 5.330 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccc3c4c(cccc14)CC3)[C@H]1CC=C[C@@H]21 58928877 SOJDQTVQIYMKGB-WLENULPWSA-N 446.344 6.226 10 40 IKCB O=C1C(=Cc2cccn2-c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 59249930 NRFLRYSLJIINNQ-UHFFFAOYSA-N 433.467 5.061 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222969448 MHEGPEGCIWGXKB-NOZRDPDXSA-N 432.637 5.879 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 260762801 HKTCNSPIYPBMAI-ZPZUNKDASA-N 430.621 6.085 10 40 IKCB CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 409039771 DKUWSBMRKKHGTF-LICLKQGHSA-N 447.318 5.065 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1 409143229 MBDRPNRYPVYAPA-JJIBRWJFSA-N 446.572 5.772 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC[C@@H]2C)c1O 2200158 ZNAPBJMDFYLPRS-HNNXBMFYSA-N 434.561 5.712 10 40 IKCB biogenic O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1cccc(F)c1 33498832 MNVVCKVENNWGFR-CIAFOILYSA-N 439.508 5.950 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Cl)cc1 408760929 BBUIIUZFARVHIU-KGENOOAVSA-N 433.851 5.091 10 40 IKCB Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1C 409328441 VJQNWELMEMGRLS-VCHYOVAHSA-N 433.385 6.199 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(OC)c1 409342054 BQAYJIBRFHATFH-APSNUPSMSA-N 426.346 5.416 10 40 IKCB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(Br)cc1 1830524 YUAMACVFFFSCQL-HKWRFOASSA-N 441.394 5.374 10 40 IKCB CCCCCCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 2193620 FNOCGGIRNSXCET-XSFVSMFZSA-N 427.932 5.630 10 40 IKCB Nc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1/N=N/c1cccc([N+](=O)[O-])c1 3849196 SLGAATAVDOIDDD-WCWDXBQESA-N 433.375 5.382 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccnc1 8820172 GTINFNZBEWPEDE-AQTBWJFISA-N 445.997 5.135 10 40 IKCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C 14009521 LTMYQPMFNWBGSI-NHDPSOOVSA-N 440.971 5.385 10 40 IKCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 34798856 CRTLALLMLZFJIT-PZDWWLKRSA-N 443.985 5.077 10 40 IKCB Cc1[nH]c2ccccc2c1/C=C1/C(=O)N(c2cccc(Cl)c2Cl)C(=S)N=C1O 59953698 ZJQJKUKAWMCKSO-UKTHLTGXSA-N 430.316 5.455 10 40 IKCB CN(C)c1ccccc1NC(=O)c1cc(/N=N\c2ccc(Cl)cc2)c2ccccc2c1O 101518759 UJDHAJCLVKJAHE-ZIADKAODSA-N 444.922 6.933 10 40 IKCB CCCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)SC1=S 107998093 OATQGWSCDKPFAM-HAHDFKILSA-N 449.597 6.039 10 40 IKCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S 408601258 JJVWATQTOCNBGE-YBFXNURJSA-N 429.469 5.639 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Cl)N1c1ccccc1 408756851 XTMAJMOVVZNRND-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 409163771 XPZVUGWBHURBQB-PPJWLVRDSA-N 428.557 7.022 10 40 IKCB O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 409347406 PTOVRVAMVPRKJU-VGOFMYFVSA-N 445.190 6.162 10 40 IKCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 8821854 JHJFKHAQPQXHTC-PXLXIMEGSA-N 447.516 6.280 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1Cl 9353975 PIDIMKIDGYLAFM-WCIBSUBMSA-N 425.655 5.168 10 40 IKCB Oc1c([C@H](c2ccccn2)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 19902786 TZGHJILNBSLQPO-XMMPIXPASA-N 448.929 5.040 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C 222781026 BLIWCGSLZYVJJJ-DQEYMECFSA-N 426.589 5.635 10 40 IKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(OCc2ccccc2)cc1 408722270 GCPUGOOXIXURHM-ZHZULCJRSA-N 433.301 6.009 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408901968 JLBGBCMKNLMTGZ-UDWIEESQSA-N 435.530 5.408 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc34)SC2=S)cc1Cl 409327600 LFXCXAAUWRLSEP-UDWIEESQSA-N 441.961 5.916 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC 1101021 BZHHXRAMCSQJEU-GZTJUZNOSA-N 429.314 5.053 10 40 IKCB CC1(c2ccccc2)OC(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)O1 2368093 BRITXZXPCLKLCP-UHFFFAOYSA-N 441.458 5.185 10 40 IKCB Clc1ccc2nc(-c3ccc(Br)o3)c(Nc3ccc4c(c3)OCCO4)n2c1 8596436 OKBVZQUWKRFCLM-UHFFFAOYSA-N 446.688 5.525 10 40 IKCB Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)cc1 8845883 LQGLIQCZSKSGCG-UHFFFAOYSA-N 435.351 5.890 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(C)C 9296132 RGGLGWCHFFILJU-XKZIYDEJSA-N 441.618 5.830 10 40 IKCB Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1 14458518 UKKDATAFPBUNDP-QHWMMSMNSA-N 444.600 6.239 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409054697 BBEJSDDTDSLSAH-JLPGSUDCSA-N 440.543 5.275 10 40 IKCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 2260270 WINKJZZNRYCLPV-ZHZULCJRSA-N 435.574 5.159 10 40 IKCB CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1 9293464 ZTMMVYIGNQPLLY-RLPJPJOASA-N 433.581 5.322 10 40 IKCB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58846049 JMNMXFRQKKZNDL-VVZHRXSXSA-N 430.573 5.876 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)ccc1Cl 250899294 RIKOIBZBXNCHGC-YHTYYEMMSA-N 430.118 7.035 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)cc21 260922667 RCYQRVNOKPDISO-RPWUZVMVSA-N 444.604 5.479 10 40 IKCB O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1Cl 408723298 STPKEQVFXJBDHB-VZUCSPMQSA-N 446.142 5.132 10 40 IKCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)cc1 408738201 JBIYBFBYVMXPJS-OQKWZONESA-N 425.484 5.343 10 40 IKCB COC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c(C)c1 408987409 XMJVSFXARHABSV-RCCKNPSSSA-N 429.903 5.906 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 409189223 NANOWCHMPYUFQJ-LPYMAVHISA-N 436.964 6.605 10 40 IKCB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1 9190109 STFBRXGKQZCIHI-MOHJPFBDSA-N 443.547 5.285 10 40 IKCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@H]1CC=C[C@@H]21 14186273 MNMRDHYUXWCWFH-UMFSSWHCSA-N 442.515 6.317 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59104648 NXWJVADQDLASCN-FSJBWODESA-N 442.515 5.367 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 222789094 UCHRVOURDFNBRV-NHCUHLMSSA-N 445.419 5.788 10 40 IKCB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408646119 SZYCOZTZMGIGHF-LJQANCHMSA-N 440.474 5.763 10 40 IKCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1 409237199 IFEVIOYQKQFQEB-PCLIKHOPSA-N 441.575 5.793 10 40 IKCB CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 1217936 MYYVNUAGAPNIIK-JXAWBTAJSA-N 444.647 5.167 10 40 IKCB Clc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1 4048159 MWPIHIXYMYKFQK-LXIYXOSZSA-N 442.127 6.425 10 40 IKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8821609 LGDJZSKVQCNRFQ-RGEXLXHISA-N 449.594 5.212 10 40 IKCB CCn1c2ccccc2c2ccc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)cc21 20096346 AEMQDGCYKTXCOK-UHFFFAOYSA-N 434.952 6.075 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc(F)c2)ccc2ccccc12 35316284 XMQPQRQEFZSXJZ-JLPGSUDCSA-N 438.458 5.019 10 40 IKCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1cccc(Cl)c1 100525454 UIRCWNMDXGEWQD-AWZKZOKMSA-N 440.872 5.247 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1 224431056 ZSHRWRZCWPLUOL-DQEYMECFSA-N 442.563 5.805 10 40 IKCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1C 408530419 LSBUYYHFGHXPNX-YBEGLDIGSA-N 443.301 5.001 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)CC)c(OC)c3)SC2=S)cc1 409334267 WMSDOJHYSXMUKA-JTMDUIFQSA-N 443.590 5.677 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(F)F 409358266 LASQGTOYEYPGAQ-CHHVJCJISA-N 445.871 5.495 10 40 IKCB COc1ccccc1[C@H](CCNCc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1 1823708 WYBNNZDNQBJYIZ-AREMUKBSSA-N 432.608 5.860 10 40 IKCB biogenic CC1(C)CC(=O)c2cc(-c3cccc(Br)c3)n(-c3ccc(F)c(F)c3)c2C1 2512758 WLUOZISEMIKJQH-UHFFFAOYSA-N 430.292 6.340 10 40 IKCB Cc1cc(C(=O)COC(=O)/C=C/c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 3283108 MBRKFYCIKFUSJV-LFYBBSHMSA-N 443.421 5.274 10 40 IKCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1 8821801 DUCHIILCVGFDFJ-UDWIEESQSA-N 437.908 5.641 10 40 IKCB CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 27018210 DONWYLRIMUCXPW-NDENLUEZSA-N 437.565 5.536 10 40 IKCB Cc1cccc(Cn2cccc2/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)c1 34828198 ROARASISQAGPPM-NDENLUEZSA-N 433.895 5.313 10 40 IKCB Cn1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)cn1 95477124 OTCLKRWGASKKPS-UHFFFAOYSA-N 447.495 5.133 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 100867054 HWGUVWCWCQPEIS-JLPGSUDCSA-N 444.494 6.092 10 40 IKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=N)N12 103563337 DCLZNYZOKIDEBF-SIXFRIEVSA-N 431.348 5.568 10 40 IKCB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219349027 RRYOIKZGHJMDCU-JIPXPUAJSA-N 430.592 6.111 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1 224164093 PVXZIHITBWVNLF-IZZNHLLZSA-N 438.600 5.975 10 40 IKCB O=C(NCCC1=CCCCC1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408735584 TWTKFWPIURDFAL-UHFFFAOYSA-N 446.554 7.101 10 40 IKCB Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc(N(C)C)cc1 408753712 BRNCUKSYXXTIGR-HAVVHWLPSA-N 440.587 6.439 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C(C(=O)OC)=C2C)cc1 408787683 DPFDOCKSCAOHTE-BOPFTXTBSA-N 432.303 5.269 10 40 IKCB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)c1 408866743 IMHFJXKQKHFUNI-RCCKNPSSSA-N 444.918 5.214 10 40 IKCB CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c2ccccc21 409204246 DXTOXHKJWYTANI-OVVQPSECSA-N 428.535 6.750 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1C 1237284 GACJHUPBKZNYDA-LPYMAVHISA-N 431.467 5.357 10 40 IKCB O=C1c2ccccc2-c2onc3c(NCCC4=CCCCC4)cc(Nc4ccccc4)c1c23 2292027 JEOUHTGBDOHUTE-UHFFFAOYSA-N 435.527 7.085 10 40 IKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(Br)c1 8872615 TYUPDRHHHRTVBH-RGEXLXHISA-N 430.342 5.012 10 40 IKCB COCCCN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S 16750551 BDQYKPZZFFOTDW-JYRVWZFOSA-N 446.775 5.086 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc2C(C)=CC1(C)C 208504769 RFDODCQHQRFRCK-MTJSOVHGSA-N 437.996 6.444 10 40 IKCB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c1 224227697 DQDLFASGBLWHCF-DQEYMECFSA-N 439.588 5.370 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 260777794 QSCSLAKOKQHGPC-XRODADMRSA-N 430.621 6.085 10 40 IKCB Fc1ccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 408734736 CRRXBTBBQHRVEJ-UHFFFAOYSA-N 448.526 7.037 10 40 IKCB S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)NC1CCCCC1 408734962 HSMMFMWCIBDFNQ-UHFFFAOYSA-N 436.584 6.709 10 40 IKCB COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)c1 408761342 IPZYPQRWEQHCMU-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1C(C)C 409252518 SJHFCSZKFCOCMR-LDADJPATSA-N 440.927 5.145 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)c1 409342041 DLNFKAXQQXMJKM-HYARGMPZSA-N 449.622 6.393 10 40 IKCB CC(C)CN(Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)coc12)CC(C)C 2240684 IDANMNHWJSGHEV-UHFFFAOYSA-N 436.577 5.889 10 40 IKCB biogenic O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=S)N1c1ccccc1 2713632 RKKQKCVCGPOJAL-HAHDFKILSA-N 426.566 6.731 10 40 IKCB COc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C 8425745 CNNZSIKJFXZAPB-SXGWCWSVSA-N 439.231 5.283 10 40 IKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8765570 AHFIWNHXLVRNCV-HFIOFXJDSA-N 431.623 6.040 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)ccc1OCc1ccccc1Cl 8821388 CBYCTFOKLFCTMR-UNOMPAQXSA-N 448.009 5.927 10 40 IKCB CCN(CC)c1ccc2nc3ccc(/N=N/c4ccc(O)cc4)cc3[n+](-c3ccccc3)c2c1 16890021 PVGCVMQAKTYVAZ-UHFFFAOYSA-O 448.550 6.632 10 40 IKCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c(C)c1 32099451 SIMACHJDYQGSOX-BOPFTXTBSA-N 427.287 5.332 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1c1ccc(Cl)cc1Cl 59138112 LJJCEMXCUAZFBU-SDNWHVSQSA-N 434.279 5.083 10 40 IKCB Cc1ccc(C(=O)c2ccccc2)c(Nc2nc3cc(C)ccc3c(-c3ccccc3)c2C)c1 79047073 IYUKAJOLXHUIMG-UHFFFAOYSA-N 442.562 7.802 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)N21 222700037 DYUQYWLLJGAXCP-OFAXGOBFSA-N 446.576 5.167 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)c(OC)c1 408752029 BIDYMINTZYRFHX-HYARGMPZSA-N 432.907 5.500 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 408777852 KGRXGWHCUUKOTH-OFCKJYIJSA-N 431.605 5.873 10 40 IKCB CCCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OCC)ccc1OCC 408975534 MRFKWBNHHQKAJK-JWGURIENSA-N 449.547 5.450 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1C 409139563 OFCNKWAAJWEHKY-WSDLNYQXSA-N 443.012 6.673 10 40 IKCB CC(C)c1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)cc1 409247031 FYXMJVXPMZMFGT-FYJGNVAPSA-N 431.561 5.177 10 40 IKCB CC(C)CN(Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc12)CC(C)C 1808391 XWSRYNYEWLNGLA-UHFFFAOYSA-N 448.390 6.586 10 40 IKCB CCn1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N=C2O)c2ccccc21 2397147 JDUMASRULRUNTO-LICLKQGHSA-N 443.450 5.352 10 40 IKCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)SC1=S 16790616 QQBZAVSGYVQTRF-XSFVSMFZSA-N 441.574 5.224 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 18173630 MRESIZYIMNGHKT-TXTKFYIRSA-N 430.891 6.306 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 34852639 AOYCMJFINWQUBF-NJOZZACWSA-N 425.945 5.085 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222836285 QPCOZQDALRCEIH-XZOQPEGZSA-N 439.028 5.832 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1 223493821 NHBSSFBVHUHYPA-JWQCQUIFSA-N 439.588 5.057 10 40 IKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1ccccc1 223878772 WJLXYELDRCLEDC-BJKOFHAPSA-N 426.545 5.063 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 260788346 ZAPCYLMJHUUDAN-NHCUHLMSSA-N 427.017 5.359 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)SC2=S)cc1 409329956 IJAXYUSTXWRQHU-HZHRSRAPSA-N 449.597 6.432 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1c1cccc(Cl)c1 8983532 KXFWPOYPZILFMD-FYJGNVAPSA-N 437.973 6.325 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 9188588 OUZMQPMRUDKFQX-IWIPYMOSSA-N 445.609 6.597 10 40 IKCB CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)ccc21 9311765 FOPGMSRSTPACLJ-HYARGMPZSA-N 432.545 6.359 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1F 13893100 NEDXKKPYUZQRAT-PXLXIMEGSA-N 430.479 5.610 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(OC)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21 20058210 JEBCZXMFVXGEIS-PJIJBLCYSA-N 431.286 5.201 10 40 IKCB N=C1/C(=C/c2c(F)cccc2Cl)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 41074376 RGTDFVBUQMXLMB-JIRKNIFFSA-N 442.947 5.315 10 40 IKCB COc1ccc(OC)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1 58837630 HZYMXLLRPKVOHI-QEEYODRMSA-N 433.289 5.135 10 40 IKCB COc1ccc(OC)c(C2=C/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c1 408722340 HJRWVHRAXFFSJX-UYRXBGFRSA-N 448.902 5.918 10 40 IKCB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2)c1 408868450 MPUHGLHMLHHWEP-LFVJCYFKSA-N 438.527 5.177 10 40 IKCB Cc1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C 408987780 XZRLNVQTFGZVLR-DEDYPNTBSA-N 430.891 6.336 10 40 IKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(N(C)C)cc1 1340104 BTZKIIMVWZKNRN-UHFFFAOYSA-N 443.016 5.656 10 40 IKCB Cc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 3360312 HYZXFPCHYBULRT-MDWZMJQESA-N 439.458 5.443 10 40 IKCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8780878 KXMVCSXYJYNFBH-GDNBJRDFSA-N 433.678 5.368 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 9158723 PLXBEHOHXDUDBO-DXIKEOKKSA-N 425.945 5.085 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)cc2)C1 44854992 XTCFMSIMYVCQJA-VJBWXMMDSA-N 433.640 5.646 10 40 IKCB CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC1=S 409146814 LEDNTPKYEUPWAK-MOSHPQCFSA-N 442.993 5.595 10 40 IKCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1C1c2ccccc2Oc2ccccc21 1865345 WMMQGHLXLYYTOX-MOSHPQCFSA-N 435.957 6.437 10 40 IKCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 20036300 WQVCVMBCRZAGDX-LPYMAVHISA-N 435.911 5.244 10 40 IKCB CCCn1cc(/C=C2\C(=O)N(c3ccc(OCC)cc3)C(=S)N=C2O)c2ccccc21 33705364 KNEYOYRNLNUWIF-ZHZULCJRSA-N 433.533 5.122 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3C(F)(F)F)C2=O)cc1 83333333 MAUGBYQSQZVUAG-UYRXBGFRSA-N 449.498 5.658 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 222967932 AVSQYBMEYWGOKI-LOSJGSFVSA-N 447.652 5.328 10 40 IKCB Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc34)cc1)N2 408736174 JLRAEWKNIBCVPD-ALTZYDRJSA-N 437.970 7.899 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)cc1 409221417 PYOBKFIQAVBPNI-PCLIKHOPSA-N 435.527 5.649 10 40 IKCB O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)c1cccs1 409342076 BINYMTHQNDABMB-MHWRWJLKSA-N 446.962 5.208 10 40 IKCB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)c1 2184797 BODILRLAGGKQBA-UHFFFAOYSA-N 442.587 5.571 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)N1CCCCC1)c(O)c1ccccc12 2667759 UVEGBIZWFAODTK-VWLOTQADSA-N 443.543 6.352 10 40 IKCB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCC4)c23)cc1Cl 8844097 MFRWPTJNECYHEA-UHFFFAOYSA-N 428.916 5.347 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 9188695 URRDUUMHIZIGPM-VKINRBECSA-N 445.609 6.536 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1 20324877 KMUYWGJWHDDQPS-MOSHPQCFSA-N 437.611 6.595 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc2c(CN(C)C)c1O 20395249 AMMYPDPRRHQRTJ-UHFFFAOYSA-N 448.466 5.418 10 40 IKCB biogenic CCOc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C2=O)c1 59137930 VCCHUGNMDUROQP-XSFVSMFZSA-N 448.500 5.645 10 40 IKCB CCOc1ccc2nc(N/C=C3/C(=O)N(c4cccc5ccccc45)N=C3C)sc2c1 101114337 NAZFCJITAOKFML-XMHGGMMESA-N 428.517 5.567 10 40 IKCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1 408754267 JTOUQKZWPZDSJC-PXLXIMEGSA-N 430.891 5.270 10 40 IKCB Cc1cc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c([N+](=O)[O-])cc1C 409338975 CRZOBUDKERWGGT-UDWIEESQSA-N 442.562 6.006 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Br 409342190 ALYWLQKOLLSAGZ-GZTJUZNOSA-N 434.380 5.249 10 40 IKCB COc1ccc(-c2cnc(SCC(=O)Nc3cccc(C)c3C)n2Cc2ccco2)cc1 1328799 CEXACTBZHXNJBF-UHFFFAOYSA-N 447.560 5.548 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1 9232543 ZIDGQNUQDFFBJH-MHWRWJLKSA-N 437.359 5.060 10 40 IKCB O=C(Nc1ccc(Cl)cc1)c1cc2cc(/N=N/c3ccccc3Cl)ccc2oc1=O 18209362 ARPLBCSMWDQQSD-CYYJNZCTSA-N 438.270 6.768 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 35041407 YQUVHEMKNIWBHE-LVZFUZTISA-N 449.638 5.882 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1 41082857 DSTOYSAECKEIQN-OQYABBNDSA-N 449.580 5.221 10 40 IKCB COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C)cc2)N3)cc1 107174486 IBIOMFGDGXSFOT-UMFSSWHCSA-N 446.572 5.631 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222964618 BYPBIKMZPNPRMC-XZOQPEGZSA-N 439.028 5.915 10 40 IKCB CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C 260565761 KCTULTQTRJKSIE-VYZAVGSRSA-N 435.543 5.419 10 40 IKCB CCN(CC)c1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1 408635259 YQXFOJOCMSGINC-AQTBWJFISA-N 428.945 5.189 10 40 IKCB CN(C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 408735010 JATOVIPTEYUBQI-UHFFFAOYSA-N 445.547 6.890 10 40 IKCB O=C(Oc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 408736662 ZOWMNWNCZWSMHW-MSYCTHLASA-N 436.338 7.039 10 40 IKCB CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1 408737249 BAQFYHWMNZCNQH-RCCKNPSSSA-N 440.455 5.243 10 40 IKCB CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 4289897 ABSLZLFSUQLLFG-INIZCTEOSA-N 431.454 5.949 10 40 IKCB biogenic CN1/C(=C\C=C\C2=[N+](C)c3ccc([N+](=O)[O-])cc3C2(C)C)C(C)(C)c2cc([N+](=O)[O-])ccc21 12524066 DBRJWSQBGGFSKT-UHFFFAOYSA-N 447.515 5.377 10 40 IKCB CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 33436642 RMZOEKQFTIHGQR-BOPFTXTBSA-N 429.314 5.053 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(c2ccccc2)=NN1c1ccccc1 40007077 NPVKIYQGJSGUTI-DIBXZPPDSA-N 448.497 6.239 10 40 IKCB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N3)c1 80324587 FLILAMIIHKBRPE-OHUGHZGNSA-N 434.536 5.761 10 40 IKCB Nc1cc(N)c(/N=N\c2ccc(Cl)c(/N=N/c3cc(Cl)c(N)cc3N)c2)cc1Cl 104050115 UDHQBTHXNKZWJS-CMFFYZNBSA-N 449.733 6.806 10 40 IKCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 223780383 HZBCVSHQKMBVBU-LOSJGSFVSA-N 440.572 5.366 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1 224163756 OVLHSRHEXLTFRW-CLJLJLNGSA-N 438.600 5.975 10 40 IKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1-c1ccccc1 224449971 QWBALFXTCDIIPV-DNQXCXABSA-N 428.536 5.497 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2F)N1c1ccc(F)cc1 408763188 IBEXNYIDUGYJFJ-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)O)c(Cl)c3)C2=O)cc1 408984319 GSBRVPCMDZLDNF-XMHGGMMESA-N 445.902 5.908 10 40 IKCB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408998795 CEHXYBXVLQQRGI-XPTFVYBSSA-N 444.535 6.382 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(c4cccc(Br)c4)C3=O)c[nH]c12 409206621 YRBHDQPKWKLIBV-MFOYZWKCSA-N 443.391 5.899 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1Br 409331819 ODAXAIIZQRWDQS-GZTJUZNOSA-N 434.380 5.562 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S 9232384 FHUYXAYDYWPBAS-LDADJPATSA-N 444.002 6.798 10 40 IKCB O=C(Nc1cccc(Cl)c1)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)ccc1O 17995347 GDXQTBCVFFUYAF-WCWDXBQESA-N 431.235 6.275 10 40 IKCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1 54360612 VYCPNTRVJQUEOI-WQRHYEAKSA-N 425.462 5.190 10 40 IKCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223058622 YCMJVWMXFOYGJA-RPBOFIJWSA-N 448.636 5.115 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1 223342956 CDLNDWHECDNLQC-BJKOFHAPSA-N 428.561 5.255 10 40 IKCB CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 224036170 WAHDZLVXTGNKNX-UHFFFAOYSA-N 427.592 5.021 10 40 IKCB O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 408842673 PNPQAEOGAOASHG-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB O=C1NC(=S)/C(=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)S1 16805072 RILJWIGYHBLINI-PZLPMSIKSA-N 441.581 6.167 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccc(F)cc1 59135046 SZCUPYVVBAMSKX-FYJGNVAPSA-N 434.398 5.051 10 40 IKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 100352680 YPLGYLCHUVSZPS-OCOZRVBESA-N 432.436 5.116 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC 103918252 HNNLQTDVCHIZHU-STZFKDTASA-N 436.537 5.202 10 40 IKCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c2cccnc12 260742553 XJMKOVXAGKYEIN-ROUUACIJSA-N 434.609 5.527 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc3ccccc3c2)cc1 408786155 FULMSFFBXHJXJL-LFVJCYFKSA-N 432.479 6.528 10 40 IKCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)o2)cc1 409350327 XZTVBQMHNHBMOJ-XKZIYDEJSA-N 433.554 6.172 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC 3768786 JHEUFDMKFHIXKL-REIAIGDLSA-N 427.591 5.895 10 40 IKCB CN1CCN([C@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 19367189 GEJZABYVUPBRRP-RUZDIDTESA-N 437.672 5.390 10 40 IKCB CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1 83262033 NMIJNDCUADIEIF-NBVRZTHBSA-N 449.344 6.988 10 40 IKCB Cc1ccccc1NC1=NC(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)S1 208244701 RLGVTPWXPONKDN-SYZMQFJCSA-N 440.012 6.453 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224163574 BLUIHMSJZVTQRX-FTJBHMTQSA-N 438.600 5.975 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225018768 ZUVCXLDQFSUBPY-RSXGOPAZSA-N 444.648 6.021 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 408787386 ZEWZJQZNMKTYDL-SJJVXOANSA-N 446.620 5.322 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@H](C)CC 409328758 ATQQGCAMDURAPV-QAIWHXNASA-N 427.591 5.977 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1Cl 33768098 HXNBAKBZZRDDLX-RSRMSENYSA-N 439.972 5.413 10 40 IKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1 100423135 GSJCDBXPVSBGGL-BOPFTXTBSA-N 432.427 5.304 10 40 IKCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O 223581907 IECDAROZXRSRDU-AHQHQLSQSA-N 444.597 5.095 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(Cl)cc2)cc1 408753812 OCKNJRVXEMLZGZ-CJLVFECKSA-N 432.907 5.582 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 408840717 DGLZULKVBPAMLG-RCCKNPSSSA-N 447.332 5.601 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)SC2=S)cc1 409328403 ULFVIWQGHTVLOJ-BKUYFWCQSA-N 448.569 5.507 10 40 IKCB COc1ccccc1[C@]1(CCN(Cc2ccc(N(C)C)cc2)C(C)=O)CCOC(C)(C)C1 856826 BCIULTFOTMBIAA-HHHXNRCGSA-N 438.612 5.027 10 40 IKCB biogenic Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)c2c1C 1465500 VCBSFVAWNHAJGY-UHFFFAOYSA-N 425.554 5.830 10 40 IKCB CCOC(=O)c1c(NC(=O)c2ccccc2)sc(-c2ccccc2)c1-c1ccccc1 6599503 USBJTOJZUXQZSI-UHFFFAOYSA-N 427.525 6.511 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3O)C2=O)cc1 8819748 CZWDWCGZSKCVHT-HKWRFOASSA-N 440.590 5.101 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1 112293087 RIKVZHMTAIWWGA-UNOMPAQXSA-N 433.295 5.790 10 40 IKCB Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)S1 208195342 RGLKUCHVFZCQQU-LQFJMUIISA-N 440.012 6.453 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(Br)c3)cc2)C1 225667765 DOOOULMMVZWMPQ-HZPDHXFCSA-N 432.431 5.733 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225670195 MBGSLOHAHQYIDZ-MSOLQXFVSA-N 425.598 5.147 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 260788344 ZAPCYLMJHUUDAN-LEWJYISDSA-N 427.017 5.359 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2Cl)cc1 408752722 GIJRLVWHADHJSL-XQNSMLJCSA-N 432.907 5.582 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(Br)cc1 408756795 XIJPBOULDIGHMH-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 408840468 BYWWKZWWFNWYKB-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 409054079 MIULMLPTGLRIAU-OYKKKHCWSA-N 444.531 5.177 10 40 IKCB O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1cccc(Br)c1 409206489 OZPOKGKCJUPANO-VGOFMYFVSA-N 426.744 5.214 10 40 IKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1c2ccccc2C[C@@H]1C 1340016 JONNIMXWOZUEJQ-KRWDZBQOSA-N 440.012 5.929 10 40 IKCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 6674851 WNXJXDROWLOFBL-XDHOZWIPSA-N 437.498 5.059 10 40 IKCB COc1cc(OC)c(NCc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)cc1Cl 8738893 FWRXVJNLZAGDCZ-UHFFFAOYSA-N 437.879 5.448 10 40 IKCB O=C(Nc1ccccc1)c1cc2ccccc2c(/N=N/c2cc(Cl)ccc2Cl)c1O 33839075 HXJSTOXKASOAQW-BYYHNAKLSA-N 436.298 7.520 10 40 IKCB in-vitro Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)c1 408774978 DWIASPUOISYDJC-XDHOZWIPSA-N 448.563 5.270 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)cc1 409213823 VITRXMZIMIFKMH-UNOMPAQXSA-N 445.487 6.680 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OC(C)=O 409327933 NRYPXLNDGZWKFG-FYJGNVAPSA-N 435.526 5.180 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1cccnc1)N1CCCC1)c(O)c1ccccc12 1448569 YRLOQKKAVIXGMB-HSZRJFAPSA-N 430.504 5.357 10 40 IKCB CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 4289895 ABSLZLFSUQLLFG-MRXNPFEDSA-N 431.454 5.949 10 40 IKCB biogenic O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 8821562 LYJLQFRYTNTSFC-SDXDJHTJSA-N 440.030 6.137 10 40 IKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 9315613 CRBAGAYXTWLVSR-FRALIIAYSA-N 441.402 6.835 10 40 IKCB COc1cc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]23)cc(OC)c1OC 12418799 MUDMZZZWAQDKBZ-HNYWDRBLSA-N 440.754 6.499 10 40 IKCB CN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2ccccc21 20059385 ZUWCPTGIACZLKR-HYARGMPZSA-N 443.344 5.969 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1 223342839 CDLNDWHECDNLQC-DNQXCXABSA-N 428.561 5.255 10 40 IKCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408897898 JNTFGVLQQTZZKW-HBBMIWKISA-N 448.906 5.337 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccccc1 6600629 LZUYKWCTOXMURF-PXLXIMEGSA-N 428.484 5.654 10 40 IKCB CCn1cc(/C=C2\C(=O)N(c3cccc4ccccc34)C(=S)N=C2O)c2ccccc21 33334146 PQJDCSYJFPQWSC-ZHZULCJRSA-N 425.513 5.486 10 40 IKCB CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 89677974 VNTGDQIZCUIUDE-RUZDIDTESA-N 436.515 5.251 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3F)C2=O)cc1OC 408760042 QMBRTFZLNMJJFP-QGOAFFKASA-N 435.882 5.968 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1sccc1C 408892654 ITIPRBCEOVQDNX-WJDWOHSUSA-N 432.339 5.086 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 408984461 HKFRKBSJNXRUSV-HMMYKYKNSA-N 446.344 6.319 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3[N+](=O)[O-])C2=O)cc1 408987820 YSZMTIVZXYMHPW-LTGZKZEYSA-N 426.472 5.773 10 40 IKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)C1=O 409012631 QZOLWQMSBAOHRY-HPAYWCODSA-N 432.929 5.281 10 40 IKCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 1200588 IWEGADIICZFASP-CPNJWEJPSA-N 434.473 5.255 10 40 IKCB Cc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1Cl 14153059 DTKIYKLCMYIINS-UHFFFAOYSA-N 431.319 5.426 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1Br 14406628 FWGWFWUVEIKBLC-UYRXBGFRSA-N 440.337 5.450 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14414537 LWSJMURVIYVCGP-ULJHMMPZSA-N 441.483 5.365 10 40 IKCB N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 20238806 FRLKRDQHBWJRCI-SDWZUDADSA-N 435.574 6.009 10 40 IKCB COc1ccc(C(N)=O)cc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12 38810810 ZWPGSNPNNSTONK-ZQHSETAFSA-N 440.459 5.321 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 222770640 JBLBHNZIQDQURV-LEWJYISDSA-N 444.526 5.500 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1 224430923 ZSHRWRZCWPLUOL-JWQCQUIFSA-N 442.563 5.805 10 40 IKCB O=C1/C(=C\c2cccn2-c2ccc(Br)cc2)SC(=S)N1c1ccccc1 408902065 KEWYMUDKFGQQFJ-QGOAFFKASA-N 441.375 5.646 10 40 IKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(Cl)cc(Cl)c1 408952056 VDKMSNLBSIIEQG-UHFFFAOYSA-N 439.136 6.231 10 40 IKCB Cc1ccc(COc2cccc(/C=C3/C(=O)N(c4ccccc4)N=C3c3ccccc3)c2)cc1 409079250 AKBVYPYUUDDOLX-VFCFBJKWSA-N 444.534 6.409 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)CC 409350456 RMCDFDKNPZNGFU-YIRPMMGJSA-N 427.591 5.977 10 40 IKCB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OCc2ccccc2)cc1)C3 2122254 VLYIUQAVZOZCCL-UHFFFAOYSA-N 427.500 5.681 10 40 IKCB biogenic CC1=NN2C(=N)/C(=C/c3cn(Cc4cccc5ccccc45)c4ccccc34)C(=O)N=C2S1 9680434 SGANMHOFROEARM-WOZVDNMVSA-N 449.539 5.482 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(F)cc1 13096046 LYBWDGBRHKATAF-UHFFFAOYSA-N 430.273 5.035 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1Br 32138939 NZEZDEBRVVIYDJ-KGENOOAVSA-N 446.344 5.925 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c(C)c1 59135930 UYXVTXOUTSBZBO-CPNJWEJPSA-N 447.535 5.522 10 40 IKCB Oc1ccc2c(oc3c(-c4ccccc4)c4c(O)nn(C5CCCCCC5)c4nc32)c1O 95480314 ATZMAHZTMPBYQN-UHFFFAOYSA-N 429.476 6.010 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1 100233061 LRYZFMWPIDLTPZ-FYJGNVAPSA-N 432.907 5.734 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1 205680139 GEHDIPTVVRVHJO-FYJGNVAPSA-N 433.489 5.239 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222620534 VBVDBWUUKPHVLF-VVMVZBAXSA-N 430.621 5.949 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 222966677 BHADTTMYQOCMRW-BJKOFHAPSA-N 434.609 5.270 10 40 IKCB Oc1c(Cl)cc(Cl)cc1CN(Cc1cc(Cl)cc(Cl)c1O)c1ccccc1 1679795 UMAYAMDWTKDSBZ-UHFFFAOYSA-N 443.157 6.918 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 8818998 CPAAFOKBILMYMB-UMSHPIDHSA-N 435.526 5.282 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 13896414 LCKDJEXJXTZHAP-DEDYPNTBSA-N 432.501 5.022 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 15277008 DTNLVIHPKKOAPN-LYBHJNIJSA-N 433.621 5.458 10 40 IKCB COc1ccc(CN(Cc2ccncc2)Cc2cc(C)n(-c3ncccc3C)c2C)cc1 19237888 KFFWTPNOSQBZMC-UHFFFAOYSA-N 426.564 5.404 10 40 IKCB CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 33390940 SIAXBDHSHKFNFW-DBZAVIBRSA-N 441.618 5.879 10 40 IKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 36081895 FIKIFWWGHOWYTK-ZROIWOOFSA-N 427.239 5.933 10 40 IKCB Cc1ccc(C)n1-c1ccsc1-c1cc(/N=c2/c(C=O)coc3ccc(F)cc23)[nH]n1 100133807 SRUXJMVLERMJMJ-LVWGJNHUSA-N 432.480 5.476 10 40 IKCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 102710351 WVDIMIVWIGYONS-JXQFQVJHSA-N 441.402 6.836 10 40 IKCB CCOc1ccccc1/N=N\c1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3)cc2c1 104290535 VLBVIPHPPAURDO-DQSJHHFOSA-N 427.460 6.168 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 222788910 UCHRVOURDFNBRV-SFTDATJTSA-N 445.419 5.788 10 40 IKCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C 223533195 YLEJFEVQMHULSS-OVBDPADQSA-N 445.563 5.082 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C 225656205 CIHRZUJMEFCTTG-IBGZPJMESA-N 439.625 5.456 10 40 IKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 409171189 YONMCAHOFYTYER-ZYLNGJIFSA-N 448.975 7.367 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(C)C 409340087 QFMITZYROKIGJT-VXLYETTFSA-N 433.982 5.789 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)SC2=S)cc1 409352010 VMMVWRNIPHNQIJ-CAOOACKPSA-N 429.364 5.645 10 40 IKCB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(OCc2ccccc2)cc1)C3 2118811 NAPSTGAUPMCDST-UHFFFAOYSA-N 427.500 5.654 10 40 IKCB biogenic Cc1cccc(Nc2cc(N(C)Cc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2355932 HOXBISWNQLHWBU-UHFFFAOYSA-N 445.522 6.728 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1C 225665319 QEYVFHKNVDAKPJ-GOSISDBHSA-N 425.598 5.210 10 40 IKCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)c1 408783116 KDOGXPLDYQKEHI-UDWIEESQSA-N 434.879 5.192 10 40 IKCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(C)C)c2C)C1=O 409009649 AZVMKDLCSZRHNP-RSZPVBOMSA-N 440.565 5.205 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409059755 OBCKFVBVHVGRMR-JLPGSUDCSA-N 426.516 5.280 10 40 IKCB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O 409327798 NDTAAQPQPLIFQZ-OTGIAGGSSA-N 433.982 5.932 10 40 IKCB CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc23)C1 1799120 LWTOUQIZYBPKCQ-SOKVYYICSA-N 443.547 5.443 10 40 IKCB biogenic Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 2394070 ZWQIVBBFJVJUOZ-MTJSOVHGSA-N 447.922 5.031 10 40 IKCB Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cs1 9118161 WCUNZIGBLDXFDY-UHFFFAOYSA-N 445.544 5.436 10 40 IKCB COc1ccc(Oc2cc(NCCCN(C)C)c3c4c(onc24)-c2ccccc2C3=O)cc1 9409927 DYBGFZIHDMBQDO-UHFFFAOYSA-N 443.503 5.204 10 40 IKCB CN(C)c1ccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1[N+](=O)[O-] 9493981 VYNIGSYIZJGLCJ-SFQUDFHCSA-N 444.516 5.044 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 35646534 AMJUPPRWENVBDC-MOSHPQCFSA-N 435.461 5.336 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2)cc1 40007073 RDYPOJMJCNOEPI-RRAHZORUSA-N 444.534 6.409 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OC[C@H](C)COc3ccccc3)c(OC)c2)SC1=S 41108587 GVUUQODMMWLYRX-RDPIHGLISA-N 443.590 5.010 10 40 IKCB O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 58847069 GNVWTCIEQXBUDH-GLDPYIMESA-N 438.499 5.592 10 40 IKCB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN=[N+]=[N-])[C@H]3c2ccc(OC)cc2)cc1 97965267 AZWAPAPUXARMKU-NVSCQINXSA-N 431.496 5.137 10 40 IKCB CCN1/C(=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)Sc2ccc(Cl)cc21 102149389 MDVOQYVRFMSVIH-LCIOQVQZSA-N 433.023 6.063 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC1=S 409007118 NXSWIWPOIALRBW-SXGWCWSVSA-N 442.364 5.933 10 40 IKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 409013142 SZPWYWNUJLFELC-NNLQFVHNSA-N 433.371 5.691 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)SC2=S)cc1 409347462 PZAQOBYNNMTCNR-LFVJCYFKSA-N 441.577 6.798 10 40 IKCB Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 8426714 DGBYBHFQPFLNJH-SIKLNZKXSA-N 445.733 6.595 10 40 IKCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 13618534 ZWJLWHQHPYWCIV-STZFKDTASA-N 449.601 5.468 10 40 IKCB CCOc1cc(Cl)c(Cl)c([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O 15947817 GDAVIIMNADPHBO-CQLKUDPESA-N 427.353 5.713 10 40 IKCB CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S 27025908 GEHPOLGVKBUCGY-STZFKDTASA-N 447.629 6.076 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 33931599 WUOPCOWHELYFCD-OOYUFVOFSA-N 425.945 5.167 10 40 IKCB CCOC(=O)c1c(-c2ccccc2)csc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 100209384 WUSADDIIJHYBTB-RGEXLXHISA-N 431.517 5.310 10 40 IKCB CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408759669 JFUWZOMPDXGCGU-PXLXIMEGSA-N 436.342 5.894 10 40 IKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1cccc(Br)c1 408767683 ZYJANDZNXWLPJN-YBFXNURJSA-N 447.288 5.012 10 40 IKCB CCOc1ccc2ccc(OCC)c(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)c2c1 409141492 IUDDVRVMYDKXOT-JCMHNJIXSA-N 446.528 5.038 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(Br)cc1 409367253 OBHAZJLFERBOQR-WQRHYEAKSA-N 444.350 5.048 10 40 IKCB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)CC)C2 8454296 CHMCAONONXEMOV-JYJNAYRXSA-N 449.613 5.295 10 40 IKCB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O 12624830 ZRQGMCHJCFPCCR-MUUNZHRXSA-N 446.458 5.243 10 40 IKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S 33737425 RWKGBVUQDWWIGO-ZDLGFXPLSA-N 438.401 6.184 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 33918747 KPVOQMXNAJFQPD-WMEYRTBOSA-N 449.923 5.008 10 40 IKCB CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCCOc1cccc(C)c1 70453896 JTARESMQOJQOPT-UHFFFAOYSA-N 440.543 6.541 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1 214344381 PKTHMNXNVZGSEH-CIAFOILYSA-N 440.927 6.123 10 40 IKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2cccc(C(F)(F)F)c2)N1 408838687 ZKAXWLDPVNFYFK-KCYKTTMJSA-N 445.440 6.307 10 40 IKCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409340363 VUNXWNNDDYPFBX-HIPMGEKLSA-N 438.401 6.577 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1 1186110 UGYGDZQDWRRZCV-PDGQHHTCSA-N 433.982 5.539 10 40 IKCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)cc1 2372644 UYXCVPXWLNTOTI-UHFFFAOYSA-N 431.388 6.060 10 40 IKCB Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c(C)n1-c1ccccc1 13141978 DRLNVGMORNKJHC-UHFFFAOYSA-N 438.527 5.561 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1 18193743 DLXNWEMRUSGGDF-MOSHPQCFSA-N 434.473 5.126 10 40 IKCB COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2[C@H]2C=CC[C@H]21 58845715 SDRXZBGYKQOXKC-UNVFRBQDSA-N 446.572 5.631 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Cl)ccc1OCc1cccc(F)c1 107670319 BHVSTCFNXHZVOV-BKUYFWCQSA-N 438.911 6.141 10 40 IKCB O=C1/C(=C\c2cc(Br)cc(Cl)c2O)C(C(F)(F)F)=NN1c1ccccc1 408969798 UUNOWSRQMYDGGI-GHXNOFRVSA-N 445.622 5.157 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@@H]21 409161062 VVOSDJWGXFWXTG-QHRIQVFBSA-N 425.153 6.591 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1Cl 409337968 AJRJRXALHWPFEJ-NVNXTCNLSA-N 429.872 5.773 10 40 IKCB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C1c2ccccc2Oc2ccccc21 17288265 QRBYJKAETWUSQJ-CIAFOILYSA-N 445.521 5.512 10 40 IKCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(C)c(C)c2)SC1=S 33430107 BGHMMGGFOFPHPN-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21 224155531 KTCVTZFCZUEMGM-JWQCQUIFSA-N 440.616 5.890 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(O)cc1 225016715 XXJLEYCFGDGBRP-RPWUZVMVSA-N 432.593 5.110 10 40 IKCB CCOC(=O)c1cc(NC(=S)NCCCN(CC)c2ccc(C)cc2)ccc1Cl 225734576 ZXZKFDOJQNEJMF-UHFFFAOYSA-N 434.005 5.028 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3sccc3C)C(=O)N(c3ccccc3)C2=S)cc1C 408998893 VGHVXXNJIVLONR-ZHZULCJRSA-N 432.570 5.422 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1 8821500 VXVHHJBSKDGXCS-UDWIEESQSA-N 436.514 5.877 10 40 IKCB O=C1/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC(=S)N1c1ccccc1 59514469 ZKPDTGNBOHUYFZ-XSFVSMFZSA-N 440.014 6.897 10 40 IKCB Cc1ccc(SCCNC(=O)COC(=O)c2ccccc2/N=N/c2ccc(O)cc2)cc1 102904851 JNZVAIFGZOJJKD-CYYJNZCTSA-N 449.532 5.181 10 40 IKCB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 225665369 AKBLMZTZQKZDQP-SFHVURJKSA-N 425.598 5.210 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1cccc2ccccc12 408604172 TZRIJNHBHXTKPY-XKZIYDEJSA-N 449.503 6.784 10 40 IKCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 409062184 PFXFETZCPUHKTP-XYGWBWBKSA-N 440.543 5.588 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc(Cl)c1O 409338099 DARRRDBLUSTJLO-WOJGMQOQSA-N 427.934 5.613 10 40 IKCB Cc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c(C)n1-c1ccccc1 409338242 GKRNIEIZKQNTOI-JLPGSUDCSA-N 440.593 6.653 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC 409345868 MLSHYSCBFYRHLP-PXLXIMEGSA-N 441.618 6.287 10 40 IKCB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 4132899 QTFBGSKBYZNYHK-QGHHPUGFSA-N 435.387 5.221 10 40 IKCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 8453030 FQHYQHWJULFYEC-LKBPJLASSA-N 448.548 5.110 10 40 IKCB COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)c1 13898170 NFGFZRUEUBURBB-JCMHNJIXSA-N 434.948 5.927 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)SC1=S 41108577 RGJKGJHGBSMFFN-BKUYFWCQSA-N 439.989 6.293 10 40 IKCB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)CC2)c1 44853986 MJVYCLIGOHETBB-HSZRJFAPSA-N 433.640 5.321 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccccc4Cl)C3=O)n2)cc1 100510821 MKXIBYNMJBNAQT-FTGFMQHASA-N 425.901 5.347 10 40 IKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Br)cc1 101063729 WYBRPPKMFPQIEU-DUPNKOKHSA-N 440.326 5.448 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Cl 222919783 UNUAQIFMQZJBMG-PKTZIBPZSA-N 439.028 5.771 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc(Cl)cc3F)cc2)CC1 223307263 PRGBOYHSSURDOK-QGZVFWFLSA-N 435.008 5.826 10 40 IKCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(Br)cc1 408528417 FZJZCFBLWUHXSZ-YBEGLDIGSA-N 449.146 5.239 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 408535857 XNCXXUYBJKKBOV-HAHDFKILSA-N 447.650 7.169 10 40 IKCB COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)c1 408752735 JUHNCDQIXKIVHK-HYARGMPZSA-N 447.332 5.601 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1 408754147 MEJAJZOGNVJXJL-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 409008704 ARKWHLNKYPZSFJ-GXDHUFHOSA-N 445.233 5.059 10 40 IKCB COc1ccccc1/C=C1\SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O 409332079 PYJNTMWOWUERCC-NVNXTCNLSA-N 440.771 5.517 10 40 IKCB CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S 409338144 DVNTXUYPTSRLBC-DJKKODMXSA-N 430.957 5.703 10 40 IKCB CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 409340104 QMAIPKGDCFCSPK-SFQUDFHCSA-N 434.380 5.644 10 40 IKCB O=C1NC(=S)S/C1=C\C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 2157377 SRJBWPHRVUAJIX-GYZZIOIESA-N 427.550 5.654 10 40 IKCB CN(C)c1ccc(CNCC[C@@H](Cc2ccccc2Cl)c2ccc(Cl)cc2)cc1 6672321 OQZFNXSOUBXBTR-NRFANRHFSA-N 427.419 6.566 10 40 IKCB COc1ccc(OC)c(-c2c(C)c3ccc(O)c(CN(C)Cc4ccccc4)c3oc2=O)c1 9356680 IDRGADRMBKXQMV-UHFFFAOYSA-N 445.515 5.123 10 40 IKCB biogenic Cc1cccc(Cn2cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1 13687593 UINRCLRCWIBRRC-XKZIYDEJSA-N 439.471 5.093 10 40 IKCB COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC 18190086 PHJSFZUPVICELW-HSZRJFAPSA-N 445.519 5.180 10 40 IKCB CC(C)(C)c1cc([C@H](c2c(O)ccc3ccccc23)N2CCOCC2)cc(C(C)(C)C)c1O 20840406 NEARPYRYUBUGBV-AREMUKBSSA-N 447.619 6.268 10 40 IKCB COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 33398614 ODMMXBRLAVPKNR-NVNXTCNLSA-N 440.771 5.517 10 40 IKCB N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 41076266 BSOGVTKSDAXCBK-ZTPJVXOPSA-N 448.529 5.027 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 96504993 AEJBYWUHPNJSIL-XQNSMLJCSA-N 446.597 5.737 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc21 208238766 BERBXKDOFJXGCR-NLLJVSSUSA-N 443.975 6.284 10 40 IKCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225017065 WDUMEKQCMWLQMW-RPBOFIJWSA-N 446.620 5.413 10 40 IKCB Cc1cc2c(n1-c1ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc1)CC(C)(C)CC2=O 2562109 PGJSLLJHQPIQSW-UHFFFAOYSA-N 448.872 6.800 10 40 IKCB CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1 4773063 VIUFFRIXTDUOPP-UHFFFAOYSA-N 435.549 5.682 10 40 IKCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 9188757 QLPGFARPUGJWOP-QNGOZBTKSA-N 446.553 5.334 10 40 IKCB COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)ccc1OC)[C@H]1CC=C[C@H]21 9763816 VRXRAZSWEMXZGP-QYWGDWMGSA-N 428.326 5.379 10 40 IKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 103918452 UPVYRXFJPGDWBK-BWAHOGKJSA-N 430.552 5.094 10 40 IKCB COc1ccc(OC)c(NC(=O)c2c(NCc3sccc3C)sc3c2CCC3)c1 729128 SAFVSJYPAKHKDU-UHFFFAOYSA-N 428.579 5.488 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2C)C1=O 3769398 QWTNMZAEIQXBSQ-XQNSMLJCSA-N 433.598 6.733 10 40 IKCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 8453029 FQHYQHWJULFYEC-SKKAYCNMSA-N 448.548 5.110 10 40 IKCB COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 8819660 WXWIUDIHSFTQPK-SILNSSARSA-N 440.590 5.096 10 40 IKCB O=Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 8870227 MFTXIWJAKACWDM-CHHVJCJISA-N 427.856 5.577 10 40 IKCB CCOC(=O)c1ccc(/N=N/c2c(-c3ccc(Br)cc3)cc3ccccn23)cc1 18192262 QCPRAGHPAGQVSV-OCEACIFDSA-N 448.320 6.961 10 40 IKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 33563955 SFKJQDACUHXBFS-BKUYFWCQSA-N 438.911 6.141 10 40 IKCB O=C(Nc1ccc(/N=N\c2ccccc2)cc1)c1ccccc1SCCC(F)=C(F)F 100409300 VFSTVTMRGBDZDV-ZIADKAODSA-N 441.478 7.914 10 40 IKCB Cc1ccccc1/N=N\c1ccc(/N=N/c2cc(CN(C)C)c(O)c3ncccc23)c(C)c1 104226075 CGFQDCNEANTKJL-GILIAAGRSA-N 438.535 7.450 10 40 IKCB O=C(O)/C(=C\c1ccc(N2CCCCC2)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408635167 XMLXLYNMTOEYPU-XMHGGMMESA-N 440.956 5.333 10 40 IKCB S=C(NNc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408735533 RGEGETJYVUFYKF-UHFFFAOYSA-N 445.551 6.403 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)=O)cc3)C2=O)cc1 408762244 AIFOUYPHCQNYLU-QNGOZBTKSA-N 429.903 6.023 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c(C)n(C)c2c(C)cccc12 409034550 OEWMGEVZAURRFN-MDWZMJQESA-N 433.380 5.297 10 40 IKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1C(=O)c1ccc(F)cc1 3174011 CMKDVKUHAVGRNY-HMAPJEAMSA-N 443.524 6.174 10 40 IKCB CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1 8450737 ZNWKKBDFEGEAAG-QINSGFPZSA-N 436.342 5.929 10 40 IKCB CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 8820211 OFWLTKVEMJBPNH-SDXDJHTJSA-N 440.030 5.835 10 40 IKCB Cc1ccc(C)n1-c1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 9244414 WFUXGJHTPIFVAO-UHFFFAOYSA-N 446.938 5.602 10 40 IKCB CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C(O)=NC1=S 59182241 UMLGWDBCTROMOC-HYARGMPZSA-N 439.540 5.330 10 40 IKCB CCN(CC)c1ccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c(O)c1 102487538 SVVYYRVASAXYKX-SANMLTNESA-N 433.596 6.727 10 40 IKCB CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 408541046 XMDHLHHYSWJDTI-PGMHBOJBSA-N 441.369 6.214 10 40 IKCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(-c2ccccc2)n1-c1ccccc1 408776726 QBDQAJBDPFXZSR-HKOYGPOVSA-N 447.494 5.119 10 40 IKCB COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)sc2c1CCCC2 409197002 ZLTIXPWSKZBYGS-CPNJWEJPSA-N 432.545 5.314 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@H](C)CC 409328929 AONMCJQRNGHXTH-VVRYKASASA-N 441.618 6.285 10 40 IKCB C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Br)coc23)C1 2437346 WBNYNVXJNQVMBN-CQSZACIVSA-N 444.325 5.285 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)SC1=S 5947731 RADZCXGJMGTAFY-STZFKDTASA-N 426.607 5.333 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)c3ccccc3C2=O)cc1 12549327 SBCOSBAVCMUIDZ-IMRQLAEWSA-N 446.550 6.439 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 33406138 GVFZCKAOOZEOAR-NDENLUEZSA-N 445.972 5.301 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1Cl 409105484 HXBGHUHRTODEQE-YBFXNURJSA-N 426.303 5.498 10 40 IKCB CCN(CC)Cc1cc(C)c(O)c(/N=N/c2ccc3ccc4cccc5ccc2c3c45)c1C 5641758 BEOAEFJVTMETQC-NVQSTNCTSA-N 435.571 8.164 10 40 IKCB O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 6444765 JMZLFTVBMPZFSD-QCFAMHMHSA-N 445.946 5.533 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1 9113630 AGTLDXHXAXIYTQ-LECIVKJOSA-N 447.951 5.372 10 40 IKCB O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 14187830 RVPSJQWTMAIKJI-HSZRJFAPSA-N 432.863 5.626 10 40 IKCB O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1cccc(Cl)c1 20324768 LKXDWMJFEMRVJN-PDGQHHTCSA-N 444.002 6.631 10 40 IKCB O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)o2)c(Cl)c1 23115454 BOZRKVIWKUZKDC-UHFFFAOYSA-N 441.940 5.002 10 40 IKCB Cc1ccccc1CN1CCC(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)CC1 44853982 NQSOFJNETGRWOY-HSZRJFAPSA-N 433.640 5.321 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2cccc3ccccc23)cc1 58865642 DGUJAVOGVUFUSJ-UHFFFAOYSA-N 428.484 5.563 10 40 IKCB Cc1ccc(/N=N/c2ccc(=O)c3c(C)oc(C)c3c2O)cc1NC(=O)c1ccccc1 98086994 NOXUKCWVLPYIEI-BYYHNAKLSA-N 427.460 6.092 10 40 IKCB Cc1ccc(/N=N/c2ccc(O)c(/N=N\c3ccc(S(=O)(=O)O)cc3)c2O)c(C)c1 100471416 GVDFNLGUMKHGRD-IKXBEZASSA-N 426.454 5.792 10 40 IKCB CN(C)c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 102928174 ZJLUVKCEHIUFQW-XHCCPWGMSA-N 443.978 7.035 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4cccc(C)c4C)=NC3=O)cc21 208450140 UFXUCNHIGKNAPA-QRVIBDJDSA-N 431.605 6.326 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1 224601062 HFQWUCWEHRNJRY-DQEYMECFSA-N 440.572 5.372 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2cccc(Br)c2)cc1 408765014 YQGFJDOKGSXNNX-KGENOOAVSA-N 433.305 5.292 10 40 IKCB CCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 2532813 INJVADWXBSUTNG-UHFFFAOYSA-N 440.499 5.286 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1C 8606731 SHAOQNRSKRYIJH-UMFSSWHCSA-N 448.563 6.070 10 40 IKCB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 59459842 IBZWNCJTWHOFDC-AUWJEWJLSA-N 444.843 5.673 10 40 IKCB COc1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1F 60950970 YKHMBWRVQLBGDD-UHFFFAOYSA-N 433.313 5.065 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cccc(Cl)c1Cl 100148593 DIXCICPTZAZZGO-LCYFTJDESA-N 425.113 5.474 10 40 IKCB CCCCOC(=O)c1cc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)ccc1Cl 101114194 CAUWCQDDWTUZEM-XSFVSMFZSA-N 425.916 5.324 10 40 IKCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1 112290407 ULXOENIPKTZYAX-BWAHOGKJSA-N 425.488 5.005 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1 223458153 POESCYLHAQPPMQ-LOSJGSFVSA-N 439.588 5.057 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)nc1 224173443 GRKOGMFTGBWNJK-JWQCQUIFSA-N 439.588 5.370 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccccc1F 408744150 XCTPAUXRASDTGJ-KGENOOAVSA-N 446.474 5.793 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 408760560 AUNIQQGKAXSRLT-RGVLZGJSSA-N 443.717 6.187 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 408768826 JYPRTAJAFLZGHM-LMSRTUJASA-N 431.605 5.873 10 40 IKCB Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(O)cc2)cc1 408841136 HUTIKQOAEIZNPX-KGENOOAVSA-N 433.305 5.298 10 40 IKCB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1 408870676 XASUUJTXTVBHRZ-OEAKJJBVSA-N 444.918 5.214 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 408975256 LKELLOJORLKTGC-ULJHMMPZSA-N 431.532 5.271 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(F)c(Cl)c1 408984668 JBCAGRVWRKLQDQ-MHWRWJLKSA-N 444.720 7.257 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409021329 BTDBFHXCULBCGI-MOSHPQCFSA-N 443.465 5.880 10 40 IKCB O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 409106535 NXXKDYFCOSQMDW-DEDYPNTBSA-N 434.517 5.484 10 40 IKCB Cc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc2n1Cc1ccccc1 409328905 ADWXGOFMWWBBQR-LFVJCYFKSA-N 446.641 6.532 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O 409338457 KJBMRLYKHGKYGI-KQWNVCNZSA-N 448.613 6.100 10 40 IKCB CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc12 1808393 DSCXKEWIHWGJJV-HNNXBMFYSA-N 432.347 6.237 10 40 IKCB O=C(O)CC/C(=C1/C=C(c2ccc3c(c2)CCCC3)NC1=O)c1ccc2c(c1)CCCC2 2278813 XBRNJJCUYDXZFO-OCOZRVBESA-N 427.544 5.234 10 40 IKCB CC[C@@H](C)c1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 12521099 LQZOCFIXSKEFNQ-CQSZACIVSA-N 429.567 5.083 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)CSCc3c(F)cccc3Cl)cc2)CC1 218203161 KSCYXYIAVNJZDZ-KRWDZBQOSA-N 435.008 5.826 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(C)c3)C2=O)cc1OC 408756475 VMVIBNGSMSFBHZ-KGENOOAVSA-N 432.907 5.500 10 40 IKCB COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)cc1 408757396 ZLAOKXBMULDJBY-HMMYKYKNSA-N 444.943 6.398 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)c1 408879863 HMOUTUQVWTXXEM-HYARGMPZSA-N 448.881 5.045 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3SC)C2=O)cc1 408987039 VALBFUNPPLTTME-CAPFRKAQSA-N 447.987 6.932 10 40 IKCB CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl 409085635 CKDHMNVXDJFGBG-UYRXBGFRSA-N 437.326 6.227 10 40 IKCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 409399862 OCEFQLGDWULTPT-HAHDFKILSA-N 441.918 5.113 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 2308879 AQLWEBUQPBXZJG-LPYMAVHISA-N 447.922 5.235 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1 3066827 BHYZSHUHKBMMPL-ODLFYWEKSA-N 446.380 6.968 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)SC1=S 9849630 JGMHBCBISKPMDO-PDGQHHTCSA-N 447.423 5.483 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1 16678574 HUDNTTJDECAJEK-UHFFFAOYSA-N 433.939 6.176 10 40 IKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(Cl)c(F)c2)cc1 17099725 DNQYWIFMEPSNDD-JCMHNJIXSA-N 435.886 5.625 10 40 IKCB CC(C)(C)C1(C)OC(=O)C(=Cc2c(OCc3ccccc3F)ccc3ccccc23)C(=O)O1 33680077 KIJVRQKHNBLNQZ-UHFFFAOYSA-N 448.490 5.804 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1 408841321 GGSSTINSPHRSGL-KGENOOAVSA-N 435.296 5.731 10 40 IKCB Cc1ccccc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 409369122 CVPJONOPUQISBX-OVCLIPMQSA-N 438.361 5.240 10 40 IKCB Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3cccs3)cc(-c3cccs3)c12 8951489 HZEMHAXVZJIUCB-UHFFFAOYSA-N 448.594 6.693 10 40 IKCB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219338813 JQOKOQILDZDYOK-YPCDYVTLSA-N 430.592 6.111 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 222788759 FFAQNJRLTQQQRZ-LEWJYISDSA-N 445.419 5.788 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Cl)cc1 408754284 PSSMOGJRLIRIKO-CIAFOILYSA-N 441.745 6.790 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(F)cc2)cc1 408759723 KIKAZRXKRXOVNK-CIAFOILYSA-N 441.289 5.976 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2Br)cc1 408762170 NLRVJLHYZHZOBZ-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Br)c1 408764595 UWXSMWDRUFIWQK-KGENOOAVSA-N 435.296 5.731 10 40 IKCB COc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@H]32)cc(Br)c1OC 409150752 DJYHRQDVYMGMAQ-SXGZJXTBSA-N 444.325 5.299 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC 409328393 UHVPHCJMWIWSDV-PDGQHHTCSA-N 433.982 5.852 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c(Cl)c1 4048158 MWPIHIXYMYKFQK-VEVIJQCQSA-N 442.127 6.425 10 40 IKCB Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccccc5)c4C)C(=O)N=C3S2)c1 6188390 QGFFTJWUQFMMHN-TUKHXMGSSA-N 439.544 5.070 10 40 IKCB COc1ccc(CCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1OC 8821602 JOQYCXBTSWFUAZ-CQPDGHCISA-N 425.575 5.094 10 40 IKCB Fc1ccc(-c2ccc(C(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 8843409 CQUJJZMNGIYYGZ-UHFFFAOYSA-N 434.458 5.602 10 40 IKCB O=C1Nc2ccccc2/C1=C/c1cn(Cc2ccccc2)c2ccc(Br)cc12 13148147 IUICZBJZADMRCZ-MTJSOVHGSA-N 429.317 5.945 10 40 IKCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 16689041 UILKPMXCCDFHLI-MFOYZWKCSA-N 440.373 5.460 10 40 IKCB Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)c1 19791547 FGHLSHCVMZJNMM-OAHLLOKOSA-N 447.453 5.993 10 40 IKCB biogenic CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3ccc(C)cc3)c(C(F)(F)F)oc12 19793067 ZKVVFHPXYKRBLQ-UHFFFAOYSA-N 449.469 6.240 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1C 20395182 WDNWTQXWNRZIRV-DEDYPNTBSA-N 447.535 5.522 10 40 IKCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1 33557565 SDVQGNSTKALOJM-DEDYPNTBSA-N 441.984 5.547 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1 57316913 FHTHNPSINGICMV-RNXOBYDBSA-N 427.032 6.055 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1cccc(F)c1 59418256 IUSNETIIWWCAGP-CIAFOILYSA-N 439.508 5.950 10 40 IKCB Cc1ccc(C(=O)N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1 107702196 LFQNPAMEDJEXSU-HAHDFKILSA-N 439.561 6.343 10 40 IKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 222782860 VKMWVRBMOBFYFQ-SFTDATJTSA-N 444.526 5.500 10 40 IKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)c(C)c2)c1C 408758193 WRUSZNPNGXJMMU-YDZHTSKRSA-N 432.955 5.874 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 408986578 QRQJJYZFKBYMIQ-CAPFRKAQSA-N 446.344 6.319 10 40 IKCB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 409223855 GBBABAHLQZIMEH-RQZCQDPDSA-N 437.334 5.442 10 40 IKCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)cc1 9404410 JYURKNZLUSKAFS-UHFFFAOYSA-N 441.940 5.314 10 40 IKCB O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3c(O)nc4ccccc4c3O)cc2)cc1 17970330 QPJSTTPQEFBUTQ-QSZPNPOGSA-N 449.448 5.724 10 40 IKCB Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)c1 19793076 ZWRRQCIOXZGFSS-HNNXBMFYSA-N 447.453 5.850 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 101150120 FPBBHWKFGLKXMA-MDWZMJQESA-N 425.659 5.274 10 40 IKCB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1C 224285357 HKKLHOSDHKERKM-CLJLJLNGSA-N 438.600 5.975 10 40 IKCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 408767387 WMYIEGNMQYXSIT-LDADJPATSA-N 427.685 5.530 10 40 IKCB COc1ccc(CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 408771890 JWWNUFBELSSRCR-PXLXIMEGSA-N 426.472 5.379 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C 409009933 ANKRYEYHHVPSLE-JLPGSUDCSA-N 446.591 5.716 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409053654 GRZDFTJYMMUTFD-QNGOZBTKSA-N 436.527 5.239 10 40 IKCB CCCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S 409330365 LAGVUHNOWVKXJX-WQRHYEAKSA-N 438.401 6.184 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OCC 409341982 COOPHFOLASPOHB-XDHOZWIPSA-N 431.604 5.612 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)cc1 16031574 CDRPREWFAAIKMU-NRRYGQPISA-N 436.596 5.050 10 40 IKCB biogenic C/C(Nc1ccc(C)cc1C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17102615 PGQNOBYLIYNMSI-NKFKGCMQSA-N 438.556 6.050 10 40 IKCB CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c2cc(C)ccc21 31829168 FRNVZXPXSJRXGE-HAVVHWLPSA-N 435.527 5.050 10 40 IKCB COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 58851381 CTIWOXFKGAPSQO-DDBGAENHSA-N 425.699 6.390 10 40 IKCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 60512483 IOQOJUPKRDHYCO-MTJSOVHGSA-N 437.542 5.271 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1F 223096224 MTJDEEJHPJAJCZ-LOSJGSFVSA-N 448.611 5.933 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409055995 BWTGTMLDMGAOGS-JLPGSUDCSA-N 440.543 5.588 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)c2ccccc21 409205634 DJIQWKTTWQJTKC-OQKWZONESA-N 426.491 5.767 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2)cc1 409223873 GHBLVEOPOCRNKF-PXLXIMEGSA-N 442.540 5.429 10 40 IKCB CCc1cc2c(oc(=O)c3cnc4c(sc5nc(C)cc(C)c54)c32)c(CN(C)C)c1O 32501416 CUEGAKHMQVXOGQ-UHFFFAOYSA-N 433.533 5.051 10 40 IKCB biogenic Cc1cccc(OCCCn2c(C)c(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)c1 41077646 PLUMLXZTAQTGEM-JCMHNJIXSA-N 436.602 5.558 10 40 IKCB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)CC2)c1 44853984 MJVYCLIGOHETBB-QHCPKHFHSA-N 433.640 5.321 10 40 IKCB O=C1N=C(NC2CCCCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 96669665 ACQSDPMOIXCPFX-CJLVFECKSA-N 428.561 5.432 10 40 IKCB O=C1/C(=C/Nc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccc(OC(F)(F)F)cc1 100409019 FIJNFDHGRWEUGQ-NTEUORMPSA-N 449.738 5.500 10 40 IKCB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219386355 AUSJPTLROJFJQW-WZONZLPQSA-N 431.045 6.324 10 40 IKCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 223014731 XWYUATCBCJDGMJ-ILBGXUMGSA-N 448.636 5.033 10 40 IKCB CCN(CC)c1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1 224799083 UXBRRTAZCSCRJB-UHFFFAOYSA-N 441.369 5.144 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2Cl)cc1 408995206 LEJCRYFHPOVMHK-PXLXIMEGSA-N 437.326 6.227 10 40 IKCB CC1(C)OC(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)C(=O)O1 1048671 SFLQNKFNWYBXBP-UHFFFAOYSA-N 434.288 5.204 10 40 IKCB CCCN(CCC)Cc1c(O)ccc2oc(C)c(C(=O)Nc3cccc(Cl)c3C)c12 5182456 WDBKGGNGCDHPRX-UHFFFAOYSA-N 428.960 6.283 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)c1 9188468 NDSWQSHAMBDRIQ-ZHZULCJRSA-N 439.646 6.701 10 40 IKCB Cn1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 9193115 XCUMIHKPTTURDI-MFOYZWKCSA-N 429.364 5.347 10 40 IKCB Cc1cc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccccc1 9217685 UMERBYIHGSIOFE-SFHVURJKSA-N 443.576 5.446 10 40 IKCB CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccccc2O)Nc2ccccc2S3)cc1 17095879 IWGHOXXHBAKYFF-QFIPXVFZSA-N 428.513 5.041 10 40 IKCB O=C(O)c1ccc(Cl)c(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 33431099 VSGXOFZHRBBORA-LDADJPATSA-N 436.294 6.163 10 40 IKCB Cc1cc2c(cc1C)N[C@@H](c1cc(Cl)cc(Cl)c1O)C1=C(O)CC(C)(C)CC1=N2 102493006 XIHRFAHMXWJTOI-NRFANRHFSA-N 431.363 7.187 10 40 IKCB COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@H]1CC=C[C@@H]21 408736495 WQAWAPKKHWITJQ-UMFSSWHCSA-N 425.528 6.187 10 40 IKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(-c2ccccc2)cc1 408983323 AWHNREXIFCNJBI-NCELDCMTSA-N 433.938 7.478 10 40 IKCB CCCN1C(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S 409202073 OOOCGVJWYAJJCJ-BUVRLJJBSA-N 442.609 6.454 10 40 IKCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1C 2364406 FOBLOSWRZFZCME-UYRXBGFRSA-N 445.009 5.577 10 40 IKCB CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)sc2c1CCCCC2 8387476 RVEYWVSGAXSZJH-RGEXLXHISA-N 437.565 5.221 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1ccc(Cl)cc1 9805430 JCSLLYDATOFHLS-WQRHYEAKSA-N 432.353 6.659 10 40 IKCB COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1 26642398 DSLGGWUUDXOOTH-MOSHPQCFSA-N 435.526 5.135 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12 33429724 JGVFVOYSVYPRST-JLPGSUDCSA-N 438.458 5.019 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 408765401 PINQMFCLZDOPPQ-MOSHPQCFSA-N 445.902 5.827 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 409002124 SQDOKXZQORXVOT-BWAHOGKJSA-N 439.511 5.533 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O 409350234 RDUHIYPYQKROAW-KGENOOAVSA-N 439.989 6.688 10 40 IKCB CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21 1191365 NFNRIUJBBWORJR-LRSOKBAUSA-N 436.602 5.723 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 2064093 RSXDTZKAKVKOQD-UHFFFAOYSA-N 435.907 5.487 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3ccc(OCc4cccc5ccccc45)cc3)C(=O)N=C2S1 8492165 PETJIQBFAWFNIP-RNJGGXIZSA-N 440.528 5.448 10 40 IKCB COc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3\SC(=S)NC3=O)cc2c1 9310220 ZULXOHAWSSQVKL-YVLHZVERSA-N 444.990 5.537 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 27832157 NEDHNHXDHHHXOP-PXLXIMEGSA-N 447.332 5.834 10 40 IKCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c1C 144213574 PWTQAKMFUUAITK-HMAPJEAMSA-N 446.528 5.430 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CC(c3ccccc3)c3ccccc3)cc2)C1 260577540 BUAJZNRRODSVAX-GOTSBHOMSA-N 426.604 6.322 10 40 IKCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 408585692 HHBKDJRRAHBFTL-UQQQWYQISA-N 439.511 5.973 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)SC2=S)cc1 408601447 JXHJSASSHMTQHL-ODLFYWEKSA-N 429.469 5.639 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1Br 408738512 LFSUQUJTBYHLHO-XSFVSMFZSA-N 446.344 6.237 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 409246323 BALOUWJGCBTFDU-HZHRSRAPSA-N 447.966 6.142 10 40 IKCB Cc1oc2ccc(O)c(CN3CCC[C@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C 5182610 KOVODEPKOKLRNT-AWEZNQCLSA-N 426.944 5.893 10 40 IKCB CCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 5376061 SHXGFFRERFZDQN-VKAVYKQESA-N 425.019 5.018 10 40 IKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8425523 XMOGORDPIWNJPL-AIQNWGLSSA-N 446.388 6.546 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC[C@H]3CC)C2=O)cc1 8871630 YSPLXGQHFGQFNF-WDULPBOOSA-N 430.639 5.022 10 40 IKCB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 9464002 KYBYJRLEZFLCQG-STZFKDTASA-N 449.601 5.548 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1 9554145 WFWOUBKDHCAEFX-FEGZGKEQSA-N 441.560 5.336 10 40 IKCB CCOc1ccccc1/N=N/c1c(-c2ccccc2)nn(C(=S)S)c1-c1ccccc1 17139993 AJHIZQHMDVPZGD-OCEACIFDSA-N 444.585 7.094 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225014070 BAPYCIJJVNOYOF-JWQCQUIFSA-N 430.621 5.713 10 40 IKCB CCc1nc(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)O)n[nH]1 408632896 UUBBRPAPOCSPOI-JCMHNJIXSA-N 444.560 5.659 10 40 IKCB Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)C(=O)O3)ccc2c1 408755329 KDYSOESDJXODCA-IWIPYMOSSA-N 439.942 7.190 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408904921 QKVMWEXCDMJQSC-XSFVSMFZSA-N 437.326 6.379 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1 408983803 CSCSPUSBSYVHSX-SZXQPVLSSA-N 443.546 7.224 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1Br 409339608 WZYXWLMFJUZNNR-LFIBNONCSA-N 426.401 5.382 10 40 IKCB O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1 409341862 CNIJCEUUONGRNJ-VGOFMYFVSA-N 426.744 5.214 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 640835 WACOCERNFYTPNM-DEDYPNTBSA-N 439.298 5.034 10 40 IKCB Cc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccccc2C(F)(F)F)cc1 9094822 COYGIQLIWMZHBS-UHFFFAOYSA-N 430.426 5.138 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 9233514 NPWDHKIZZBQCPL-UDWIEESQSA-N 447.387 6.139 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 9293376 WHLHVDFHFXSGGG-RLPJPJOASA-N 433.581 5.520 10 40 IKCB Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 13616587 IKGQRFWXNVPSIE-UZLBHIALSA-N 427.323 5.459 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)cc(Cl)c1OCc1ccccc1 15930799 OWIJVWQFEVZYMG-LPYMAVHISA-N 446.934 6.042 10 40 IKCB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)ccc1O 23538114 ZHALPGCPJQDZQZ-JEUIYPACSA-N 431.448 5.011 10 40 IKCB COc1ccc(/C=C/C=C2\C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C(C)(C)C)cc1 34860741 WGUNSZPAACSIAQ-MZRWPZDNSA-N 446.444 5.949 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C 222695997 LVNZTOWCSSOPBQ-YNJKOYDBSA-N 430.621 6.031 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(Cl)cc2)cc1 408761929 HXNKSVWMTAHENW-HYARGMPZSA-N 448.906 5.200 10 40 IKCB Cc1cccc(Cn2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c3ccccc32)c1 408902998 UBBXUSSFHUMLAU-BUVRLJJBSA-N 440.593 6.404 10 40 IKCB CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(C(N)=O)cc3)c2C1 2582373 XMXKGQQKVAWIPX-UHFFFAOYSA-N 437.337 5.161 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21 9968534 NHXADBBAVOJIAK-CAKYRVLISA-N 435.954 7.551 10 40 IKCB O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 15055792 JNHZREPELSPHDX-NVNXTCNLSA-N 440.771 5.170 10 40 IKCB COc1cc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(OC)cc1Cl 19646641 CDUKQLOBYHDYFW-KQWNVCNZSA-N 447.922 5.494 10 40 IKCB Brc1ccc(-c2cnc(SCc3ccccc3)n2Cc2ccco2)cc1 44086238 AGFUAQIHJPCTDZ-UHFFFAOYSA-N 425.351 6.246 10 40 IKCB CCCCOC(=O)c1cc(N/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1Cl 101128816 NKWYDFIVFJQEJW-CPNJWEJPSA-N 446.334 5.669 10 40 IKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1 112290186 ASDBESZLGXNJHM-ZHZULCJRSA-N 428.330 5.347 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)SC2=S)cc1 113836937 WKVUEIIWEOCNCE-XDHOZWIPSA-N 437.498 5.059 10 40 IKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C 208327486 ZYYZJOKDDXTJHD-VYZAVGSRSA-N 435.543 5.339 10 40 IKCB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219386282 AUSJPTLROJFJQW-MBSDFSHPSA-N 431.045 6.324 10 40 IKCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223058075 KYFXBLBAPWNTFU-DQEYMECFSA-N 448.636 5.115 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1F 224165092 SJZHGTWELDGQCC-DQEYMECFSA-N 442.563 5.805 10 40 IKCB Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)cc1 408841788 LJHDXCZEYVEIQD-FYJGNVAPSA-N 435.296 5.731 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)OC)c3)C2=O)cc1 408983416 BOXMSIHCNKKYGF-CJLVFECKSA-N 425.484 5.343 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(OCC)c3ccccc23)C(=O)N(c2ccccc2)C1=S 409018605 NGLQEJFZECYZFH-OQKWZONESA-N 444.556 5.192 10 40 IKCB O=C(O)c1cc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)ccc1O 4268052 VVHOUPGUNISBKS-RLJRJAJVSA-N 426.410 5.168 10 40 IKCB CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 8819785 FZRQIQAGKYLRCQ-HTNUNKGTSA-N 444.666 5.548 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1 8821515 XNQAJTJYLBQXBV-UDWIEESQSA-N 436.514 5.877 10 40 IKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 14009607 CKIGYCMDELTOCY-BWAHOGKJSA-N 444.575 5.657 10 40 IKCB C/C(Nc1ccc(Cl)cc1C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 19645377 OJLOBCPNPGXHJC-JWGURIENSA-N 446.894 5.694 10 40 IKCB CN1CCN([C@@H](c2ccc(Cl)cc2Cl)c2cc(Cl)c3cccnc3c2O)CC1 20265760 JCEPSTIDMNPORW-FQEVSTJZSA-N 436.770 5.237 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1 27549225 JUAVGLLSXOJATF-QNPCYTEQSA-N 441.560 5.499 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 35039932 PWTDUMNNBQXDSN-MOSHPQCFSA-N 436.514 5.823 10 40 IKCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1 59860634 VXJUHCHFKQKWSO-CJLVFECKSA-N 442.471 5.171 10 40 IKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=N)N12 103563312 LMSARDMLOJSSTD-JFBLTNLISA-N 431.348 5.568 10 40 IKCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2[C@@H](C)CC1(C)C 223537721 ONDIUMMIFSNZDD-JPOGYNCRSA-N 445.563 5.082 10 40 IKCB CC1CCN(C(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1 408735211 MEGIIHYEGVFIOB-UHFFFAOYSA-N 436.584 6.518 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2cccc(C)c2)cc1 408848595 XINVSQWADGFSBV-CJLVFECKSA-N 427.460 5.136 10 40 IKCB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1C1CCCC1 2695224 WAHVZOWSQQWODM-UYRXBGFRSA-N 437.615 5.745 10 40 IKCB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)c1c3c(n4ccccc14)C(=O)c1ccccc1C3=O)C2 9494901 LBLNXFXDMUUCNF-BKVQYAJGSA-N 427.500 5.086 10 40 IKCB O=C(O)CCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)s2)SC1=S 12823224 MZYJMSSPWMLYOS-LFIBNONCSA-N 437.995 5.525 10 40 IKCB COc1c(Cl)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1Cl 13810496 DMGWUEDJXQDDFQ-KPLBSJHVSA-N 430.316 5.306 10 40 IKCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S 32111746 SQMLNGVPSAMROJ-DHDCSXOGSA-N 447.887 5.466 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1 35039905 VXVHHJBSKDGXCS-NDENLUEZSA-N 436.514 5.877 10 40 IKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C 208308813 UAVPZCDEMIBAJB-NXUSMQHESA-N 438.568 6.174 10 40 IKCB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219386533 ZKVUVGFHBOMNMB-IEGUWTFLSA-N 431.045 6.324 10 40 IKCB CCCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 408605765 YTSNYSYDLJRZEL-SFQUDFHCSA-N 434.380 5.644 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(F)c1 408744132 WWMWOPJUOCBWOZ-LPYMAVHISA-N 430.475 6.093 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC 3769487 GFLBVORTDHABGW-VCHYOVAHSA-N 437.945 5.682 10 40 IKCB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCc1cc([N+](=O)[O-])ccc1O 16948568 ZBMNCDSLPYJJTF-KWXIBIRDSA-N 436.596 6.224 10 40 IKCB COC(=O)c1sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c2c1N 27587093 NVVWUNDOHSKFSB-UHFFFAOYSA-N 431.233 5.113 10 40 IKCB CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)SC1=S 208717676 UXRSOZLVHVTAHX-UCQKPKSFSA-N 428.582 6.064 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 222700236 AMZQPMQIVMEBCH-BTZRARBUSA-N 445.636 5.535 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccc2c(c1)OCO2 408600798 GFTQENHHDBHHKI-DJKKODMXSA-N 443.452 5.359 10 40 IKCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408813299 QOGQDUGIODVBNJ-SXGWCWSVSA-N 440.373 5.460 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)c(C)c1 408871024 XGVUGBICEOXQLW-RCCKNPSSSA-N 444.918 5.214 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl 409367074 DBTQMKPNWBRFBP-BOPFTXTBSA-N 430.287 5.073 10 40 IKCB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(OC)c(Cl)c2)C4)cc1 2123725 XSJCABAOLUOGAT-UHFFFAOYSA-N 449.890 5.487 10 40 IKCB biogenic CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Cl)c2O)N3)C1 8920004 CONJMRGDCCHTBY-MLCYQJTMSA-N 439.408 6.731 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1 13758407 FHTHNPSINGICMV-DMTNHVFBSA-N 427.032 6.055 10 40 IKCB C/C(NCc1ccc(F)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 103920450 DTRZPUDSVLLPQZ-JWGURIENSA-N 442.519 5.250 10 40 IKCB Nc1ccc(N=[N+]([O-])c2ccc(N=Nc3ccc(/N=N/c4ccc(N)cc4)cc3)cc2)cc1 245240985 VZUJZZLOFGSASY-DRVPYOQPSA-N 436.479 7.608 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2cccc(C)c2)cc1 408840750 FJQXYTCTJAROCS-PXLXIMEGSA-N 431.333 5.900 10 40 IKCB CCCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc21 409046868 LBVZRPMSULNXPS-MHWRWJLKSA-N 425.454 5.892 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 409172623 DRSBWDLSVUKOQO-RLSLOFABSA-N 448.975 7.367 10 40 IKCB CCc1ccc2c(c1)Cc1cccc(c1)CN(Cc1cccc(F)c1O)CCOCCO2 643563831 ZEXLECBWTJAMBW-UHFFFAOYSA-N 435.539 5.096 10 40 IKCB COc1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4cc(C)c(C)cc4s3)C2=O)cc1 8894607 CDCMDASHXNVEFL-JCMHNJIXSA-N 439.540 5.756 10 40 IKCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1 15013375 MVDAJMCVDFLUCS-ZHZULCJRSA-N 434.904 5.158 10 40 IKCB Cc1ccccc1CN1CCC(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)CC1 44854941 KDRJQYKQSNHUPL-JTHBVZDNSA-N 433.640 5.321 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccccc4C)C(=S)N=C3O)o2)cc1 59137957 ABEKBLOMKPYHSN-QGOAFFKASA-N 434.542 5.719 10 40 IKCB CC[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408904638 MNJOFYXDZWTUJY-BGARDKSCSA-N 443.341 5.441 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409154525 KGPOYMYHPINURS-SWYRRKHMSA-N 427.569 6.812 10 40 IKCB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 409328801 AXCRLDJCXLPKJZ-CHHVJCJISA-N 441.317 5.316 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C)c2)C1=O 409330277 KNYWHBGKDXMFCK-XQNSMLJCSA-N 433.598 6.733 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccco1 1187032 UAFAIDWCGKMWBB-NTEUORMPSA-N 431.231 5.349 10 40 IKCB CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc4ccccc34)C2=O)cc1 2305715 PSAWYUJCYKBAPP-NCELDCMTSA-N 445.518 6.488 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S1 8821722 MVKDGBWRJPWMCW-HAHDFKILSA-N 448.975 6.564 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccncc1)N1CCCCC1)c(O)c1ccccc12 23224623 ITNBSKCOYHEVGG-DEOSSOPVSA-N 444.531 5.747 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(C)cc1 36033798 ZIZQJDWOFVLIMI-QULUYXLPSA-N 439.471 5.499 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408996951 KRJXYZMDRMLASH-MOSHPQCFSA-N 440.337 5.450 10 40 IKCB N=C1/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N12 8408026 TXPVPBGUNSFNAV-FISJVANTSA-N 431.520 6.297 10 40 IKCB COc1cc(/C=C2\SC(=O)NC2=S)ccc1OCc1ccc(Cl)cc1Cl 15056997 GUIBEPULYNVDBQ-APSNUPSMSA-N 426.346 5.706 10 40 IKCB CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 17095421 VYXDDTGJPIAUHM-MOHJPFBDSA-N 427.504 5.231 10 40 IKCB N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 33153885 YJPMNTPTLULLSS-JLFKZYKSSA-N 431.904 5.904 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 33529753 BVPSPISRKNHRDE-JAIQZWGSSA-N 426.900 6.128 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 40007072 LSNQRVSUXFSMKY-LPYMAVHISA-N 437.326 6.379 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 1011157 QJTCJLIUABTWBW-UCQKPKSFSA-N 449.551 5.536 10 40 IKCB CCOc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CC[C@@H](C)C2 2909587 UZSKTCSMYDEEOI-OAHLLOKOSA-N 426.607 6.198 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S)cc1 8817223 OLJHGXWRAHIUTB-BKUYFWCQSA-N 449.963 5.299 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C(=O)N=C2S1 9046091 MDAZRPUJEXGDOD-CYPXAJCBSA-N 438.940 5.338 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCC[C@H](C)C2)c1O 11869513 NYPMOHTYSGSIJQ-INIZCTEOSA-N 445.563 5.155 10 40 IKCB biogenic CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)o2)cc1 13615654 UVNPTJZROZFPOB-STZFKDTASA-N 434.879 5.583 10 40 IKCB COc1ccc(N2C(=O)/C(=C/C=C/c3ccc(Br)cc3)SC2=S)cc1 23410719 WKGZDBQWSZPKGV-FKJKDRHESA-N 432.364 5.420 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc4ccccc34)C(=O)N=C2S1 41082819 ZHWAPOMLAKRNAY-RUYQORCYSA-N 427.533 5.440 10 40 IKCB Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1 58847063 GNJQXEBYCNOSTG-VRUMLPLGSA-N 448.563 6.070 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 218978970 JCBZEQJWAKMBFZ-QFIPXVFZSA-N 428.576 5.993 10 40 IKCB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 223258462 MDRZLRMMDJDELZ-UHFFFAOYSA-N 429.350 5.316 10 40 IKCB COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)[C@H]1CC=C[C@@H]21 408736492 WPHFSLVJPPKJSW-SWYRRKHMSA-N 441.527 5.887 10 40 IKCB Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(C)c3)C2=O)cc1 408840995 FAWZDJBNBACAHE-RCCKNPSSSA-N 442.971 7.006 10 40 IKCB COc1cc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 408884985 WIJGUJKMOQGTAK-XFQAVAEZSA-N 428.326 5.495 10 40 IKCB COc1ccc(CN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408987790 YEWOEJCUKXHWBT-DEDYPNTBSA-N 436.338 6.469 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c(C)n1-c1ccc(Cl)cc1 409206077 UZZYFJKCGAMRNF-UDWIEESQSA-N 442.009 5.703 10 40 IKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)N1CCCCC1 409382040 KAXIHZIKLSZQHM-QTEQDKRBSA-N 437.381 5.902 10 40 IKCB CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 11565503 ZIVBJUQNKAVAOQ-MNDPQUGUSA-N 435.611 5.190 10 40 IKCB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 15412343 ZVWWSTAUWNNNTH-MHZLTWQESA-N 441.575 5.107 10 40 IKCB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)ccc2O)N3)C1 15945716 XTKDSGVCZBCGGC-ZMZPIMSZSA-N 449.414 6.186 10 40 IKCB COc1ccc(Br)cc1[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 20598100 LDCHGWAVJJMAPB-KSMMKXTCSA-N 435.159 6.047 10 40 IKCB CC[C@H](C)N1C(=O)/C(=C\c2nc(-c3ccc(C)cc3)nn2-c2ccccc2)SC1=S 27562524 UZNHVXVJUBARRB-TWQQJCIXSA-N 434.590 5.242 10 40 IKCB CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)sc2c1CCCC2 101114200 SYIUCJNOEWPMIA-QGOAFFKASA-N 437.565 5.139 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 223552055 WENYSGVWYMKCIC-SDLXJUDFSA-N 445.563 5.162 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224163628 BLUIHMSJZVTQRX-IZZNHLLZSA-N 438.600 5.975 10 40 IKCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1OCc1c(Cl)cccc1Cl 408888152 XIRUKTDAMISBQY-PXNMLYILSA-N 426.346 5.070 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)CC 408902030 JXTUUAMEFJWUTE-NFECSFHCSA-N 448.009 6.322 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 409154801 HMNQUAMFGCMYDS-MVERNJQCSA-N 428.557 7.022 10 40 IKCB Brc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 409176247 ZEEWUFXYZKASPQ-RQTOMXEWSA-N 448.429 7.568 10 40 IKCB CCOc1c(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cccc1OC 409338352 IHJLBUAUPMRFOZ-LICLKQGHSA-N 435.954 5.162 10 40 IKCB Cc1c(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 975219 DGGUXMVMMCUGOA-ZHZULCJRSA-N 449.601 5.014 10 40 IKCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 8819005 CSIHGNZNMNVYRT-GULXKOIASA-N 441.452 5.030 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1 9210577 VEANLYIGLDRBTR-UYAJQHSGSA-N 446.363 5.430 10 40 IKCB O=C(OCCOc1ccc(Cl)cc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 16044846 SVTMCWMQTJJNEB-UHFFFAOYSA-N 441.266 5.005 10 40 IKCB CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5o4)c(=O)oc23)C1 100650997 ZQZBEZCZTRKITD-CBZJRKILSA-N 444.531 5.707 10 40 IKCB COc1cc(O)c(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2oc(-c3ccccc3)cc(=O)c12 100654483 KBQVRFHSKXFXPL-XRHLQHRESA-N 433.548 5.575 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4cccc(C)c4C)=NC3=O)cc2[C@H](C)CC1(C)C 208310974 PMNNCSBZIXSJMW-NQRZERFFSA-N 433.621 6.498 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 222966983 GBXYAGUTONAEIG-DNQXCXABSA-N 434.609 5.270 10 40 IKCB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 4132904 QTFBGSKBYZNYHK-DYZYQPBXSA-N 435.387 5.221 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 9161279 YXYWCBIYPFGFQG-RLPJPJOASA-N 433.581 5.520 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 9281169 PQVRARDUERDCHX-ODJOWLHGSA-N 439.972 5.557 10 40 IKCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1 9310675 XSCNMUZFPOISBV-XSFVSMFZSA-N 441.574 5.657 10 40 IKCB CC[C@H](C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 9971784 VFQGMSDMQUARJT-QCUKBLKESA-N 425.604 5.601 10 40 IKCB CC[C@H](C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 33391810 XMCKYLORCNNMGH-DBZAVIBRSA-N 441.618 5.879 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)cc2)CC1 44854086 VHEAOWLAJFIZLB-XZOQPEGZSA-N 433.640 5.646 10 40 IKCB C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C1 408736067 CTYWIOSHQCYZNV-XHWIWGEHSA-N 445.562 7.884 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1ccc(Br)cc1 408760997 BNLUDSXHWCSXTR-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S1 408817409 TYCFGTUFATXMHL-UHFFFAOYSA-N 446.596 5.791 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409016921 LSZXSBXTHHFTFD-UQQQWYQISA-N 439.511 5.451 10 40 IKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCc2ccccc21 1340010 PRNHTOXJXDIRBT-UHFFFAOYSA-N 425.985 5.541 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1 9311231 XAJIJZUCXKDVLM-RCCKNPSSSA-N 430.345 6.537 10 40 IKCB COc1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)o2)c([N+](=O)[O-])c1 13603063 JNNSHVDRQGADAW-ODLFYWEKSA-N 437.839 5.323 10 40 IKCB O=C1/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1C[C@H]1CCCO1 27061404 AEGRPEZBLVBOQF-XCPFNPAFSA-N 435.570 5.127 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccccc4Cl)C3=O)n2)cc1 100510818 MKXIBYNMJBNAQT-IUBFCHALSA-N 425.901 5.347 10 40 IKCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144217532 FRMGILYGCFRFSN-STZFKDTASA-N 432.501 5.122 10 40 IKCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2[C@H](C)CC1(C)C 208308284 ONDIUMMIFSNZDD-AQRZYSDFSA-N 445.563 5.082 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1 223343353 JNDNEBRWYLUNFX-JWQCQUIFSA-N 442.588 5.563 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1C 409193594 HJQMOGRFXFCFKU-LPYMAVHISA-N 436.964 6.605 10 40 IKCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 409241219 JMRBKOZJWRVUES-BKUYFWCQSA-N 426.513 5.061 10 40 IKCB Cc1ccc(NC(=O)c2cc(/N=N/c3ccc(O)cc3Cl)c3ccccc3c2O)c(C)c1 4113473 BNWXSPRZGLCIIM-ZQHSETAFSA-N 445.906 7.189 10 40 IKCB CC(C)(C)NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 5376062 SEMJVIPZYLMVQL-SSZFMOIBSA-N 425.019 5.016 10 40 IKCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(Br)c2ccccc12 8430335 VXURGPPVMYFNOO-CPNJWEJPSA-N 434.337 5.938 10 40 IKCB O=C1N=C(SC(=O)c2ccccc2Br)S/C1=C/c1ccc(Cl)cc1 8435000 KQEVYYMVPMCVIA-NTEUORMPSA-N 438.755 5.646 10 40 IKCB O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c2ccc(/N=N/c3ccccc3)cc12 8782073 SQUZEUCHZGNVTJ-ZQHSETAFSA-N 428.801 6.678 10 40 IKCB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)OC(C)(C)C 11692386 CGGVFRDAPKAYBB-UHFFFAOYSA-N 436.548 6.303 10 40 IKCB O=C(COc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 13148666 UFWLQADKLYPFQR-NVQSTNCTSA-N 449.474 5.248 10 40 IKCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 14010532 KOGLHVPFBPXZPH-BWAHOGKJSA-N 440.543 5.009 10 40 IKCB Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 17265391 DGBYBHFQPFLNJH-UGKGYDQZSA-N 445.733 6.595 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccccc1 27499092 PLAGOBUACVXKCJ-WOJGMQOQSA-N 442.905 5.914 10 40 IKCB COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc([C@H](O)CCN(C)C)cc3)c2c1 31947010 ZZUFLNQKOYMXII-XMMPIXPASA-N 435.955 5.779 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1 33762477 WSVLNZGQZCKGMI-QNPCYTEQSA-N 447.608 5.910 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1c1cccc(F)c1 59418253 CVKRFCOFGVXUQP-CIAFOILYSA-N 439.508 5.950 10 40 IKCB O=C(Nc1cccc(/N=[N+](/[O-])c2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 100367880 DDZPVSLZFMIWIW-QVIHXGFCSA-N 436.471 6.117 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1nc2ccc(C)cc2s1 101077972 RVZQWKOYOMOKKZ-XNTDXEJSSA-N 427.327 5.086 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1O 224167121 VKPGTMZADCGZHG-RPBOFIJWSA-N 440.572 5.372 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2sc3ccccc3c2Cl)cc1 408758660 ORLTXKMIYJAPIK-XSFVSMFZSA-N 446.934 6.837 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408902641 PDNVVBLZFFRVRW-UDWIEESQSA-N 433.895 5.252 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409071636 HSAIESWCHWQJLS-FYJGNVAPSA-N 446.890 5.423 10 40 IKCB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc(OCc3ccccc3)cc1)CO2 2115820 BEFPPMCWZLMUOP-UHFFFAOYSA-N 439.511 5.526 10 40 IKCB biogenic COc1ccc(C(=O)c2sc(Nc3ccccc3)c(-c3nc4ccccc4[nH]3)c2N)cc1 6016649 FPPUICORPBSMAW-UHFFFAOYSA-N 440.528 5.857 10 40 IKCB CCCCOc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 13145363 CERRCBHZMNSBHO-UHFFFAOYSA-N 449.503 5.041 10 40 IKCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2nc(C)cs2)C1=O)=C\c1ccccc1 17196571 YKCGKARPVPNQSX-YYMXQEISSA-N 443.619 5.018 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccnc3)C2=O)cc1Br 38187371 LTRHGNDHUUFYPW-LDADJPATSA-N 433.305 5.324 10 40 IKCB O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1)N1CCCC1 44086362 DIZPKYXEMACYEB-UHFFFAOYSA-N 446.403 5.620 10 40 IKCB COC(=O)c1ccc(COc2ccc(C3Nc4cccc5cccc(c45)N3)cc2OC)o1 70453918 WDZYGIPXYSOUPF-UHFFFAOYSA-N 430.460 5.343 10 40 IKCB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1Cl 408903558 ZSFRHYMCEYIOIK-WOJGMQOQSA-N 441.917 5.704 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409347394 PWJARTDEMAWJPU-FHXOWUIVSA-N 437.508 6.289 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 8821607 YQUVHEMKNIWBHE-JZJYNLBNSA-N 449.638 5.882 10 40 IKCB CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 12032420 CCISENYTWXVRNE-QILRFVRISA-N 442.650 5.405 10 40 IKCB O=C(O)c1cc(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 15013537 FDQRXRMWZWZIDZ-LICLKQGHSA-N 443.242 5.049 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1 41083083 BOHVVATWXFGPEW-MJBUPYINSA-N 449.580 5.302 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1 223533526 RAIXEFYTPFWZBP-RPBOFIJWSA-N 439.588 5.057 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCC 409080052 KWSWOWVOAJHGJO-NKFKGCMQSA-N 426.516 5.709 10 40 IKCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br 409089767 KDAUDKQNXBPKHR-HKWRFOASSA-N 447.332 5.682 10 40 IKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 409171184 YONMCAHOFYTYER-UMEGOILYSA-N 448.975 7.367 10 40 IKCB Cc1c(O)c(CN(C)C[C@@H]2CCCN3CCCC[C@H]23)cc2c(-c3ccccc3)cc(=O)oc12 524730677 SKGJXNFIFMTYGG-SQJMNOBHSA-N 446.591 5.170 10 40 IKCB biogenic CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3)C2=O)cc1 2222550 SGLXTYFFVRLTFK-RPNTZMPASA-N 427.504 5.557 10 40 IKCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 8657018 HPDSKXMSDHYJQR-LPYMAVHISA-N 447.922 5.031 10 40 IKCB Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 9782147 JKRUTUWITCCRJH-UHFFFAOYSA-N 447.579 5.062 10 40 IKCB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 13129276 UJVKBIXRZWTPQK-UHFFFAOYSA-N 448.906 5.751 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(C(=O)O)c3)C2=O)cc1 27519442 QXWURBAUMIEJCV-QGOAFFKASA-N 431.875 5.518 10 40 IKCB CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 44085478 FGNCKTXVASAHJD-UHFFFAOYSA-N 431.355 5.016 10 40 IKCB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)CC2)c1 44854943 VDXLHKJWRIYRCC-XZOQPEGZSA-N 433.640 5.321 10 40 IKCB O=C1Nc2ccc(S(=O)(=O)Nc3ccc(/N=N\c4ccccc4)cc3)c3cccc1c23 100841905 ZLQYAKAMELZSDB-QPLCGJKRSA-N 428.473 5.622 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)S2)cc1 208451809 DIKOMGFCJVZEPU-UCQKPKSFSA-N 431.605 6.272 10 40 IKCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 408846045 XHDQNJYMQCLWID-BKUYFWCQSA-N 432.501 5.342 10 40 IKCB CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 2283006 ZRAWZKCQOCJZCW-ZHZULCJRSA-N 437.565 5.680 10 40 IKCB CN(C)c1ccc([C@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1 8738746 WCJVBQXJIKSILO-LJAQVGFWSA-N 430.555 6.336 10 40 IKCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(-c2ccccc2)cc1 8820269 BVDGIJHQMTYBEG-HMMYKYKNSA-N 434.542 5.177 10 40 IKCB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 13305547 YCLXIDCWTXFDER-UHFFFAOYSA-N 449.462 5.272 10 40 IKCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14414325 MZKLCYKHQUKRCP-PLRJNAJWSA-N 439.511 5.394 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 35038941 BFLBQHIXZZLMBA-KNTRCKAVSA-N 435.611 5.492 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(F)cc1 40006130 DKQUCDMEPFBVFS-MTJSOVHGSA-N 445.581 5.661 10 40 IKCB COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2[C@H]2C=CC[C@H]21 58845837 IYASOBYLWKNRGL-UZINWLIJSA-N 446.572 5.631 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3cccc(Cl)c3)N4)sc2c1 58851130 FJVVAYBFZGBYBX-RNHFSVANSA-N 428.988 7.752 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 408760588 BGUPOERSXAVGNM-SFQUDFHCSA-N 436.945 6.156 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Br)N1c1ccccc1 408765815 QNKFEJIKZBMEBG-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 409409404 VAOZQKQQLJWUMU-NDENLUEZSA-N 439.298 5.034 10 40 IKCB Cc1cc(C(=O)Nc2cccc(I)c2)c(C)n1-c1ccc(F)cc1 3331773 CIAYHYAZRJXCBW-UHFFFAOYSA-N 434.252 5.090 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1 35039866 VIKUCNZIQWHQGC-NDENLUEZSA-N 436.514 5.877 10 40 IKCB COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OC(C)C 97999112 VXNMMMYNCAJUTO-WOJGMQOQSA-N 433.982 5.537 10 40 IKCB Cc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2cccc(Br)c2)cc1 408754655 OFZBMCIEQNXDMM-FYJGNVAPSA-N 435.296 5.731 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3cc(C)cc(C)c3)cc2)SC1=S 2882655 VTSOSJROQFYEQV-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 6144598 WVDIMIVWIGYONS-KHCICDEESA-N 441.402 6.836 10 40 IKCB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1Cl 6804326 IVWAKVKHUXEHAS-SFHVURJKSA-N 426.944 5.304 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1 9805507 VACKGMFFYXDWNV-STZFKDTASA-N 448.525 5.580 10 40 IKCB COc1cc(O)c(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2oc(-c3ccccc3)cc(=O)c12 11865267 KBQVRFHSKXFXPL-MYUZEXMDSA-N 433.548 5.575 10 40 IKCB Cc1cc(C(=O)COC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 13134053 KONOYYZUSVLXCC-UHFFFAOYSA-N 430.273 5.035 10 40 IKCB Cc1ccc(C(=O)Nc2cccc(/C=C3\SC(=S)N(c4cccnc4)C3=O)c2)cc1 16441168 KQWKHJGTPURSIA-MOSHPQCFSA-N 431.542 5.048 10 40 IKCB CCN1C(=O)/C(=C/c2ccccc2OCCSc2ccc(Cl)cc2)SC1=S 27527892 XLHULHCZRFMAJW-AQTBWJFISA-N 436.023 5.732 10 40 IKCB CC(=O)c1c(C)[nH]c(/N=N/c2cccc(C(=O)OCC(=O)Nc3ccc(C)c(C)c3)c2)c1C 102887221 IFOUWHVGSAVXJO-ZQHSETAFSA-N 446.507 5.662 10 40 IKCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 103014795 MHYQKHPQTZWVFM-BYYHNAKLSA-N 426.476 5.625 10 40 IKCB O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)c1 209319771 QXFIJMLNXQSJNF-WQRHYEAKSA-N 425.849 5.539 10 40 IKCB CCOC(=O)c1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 408736431 SINRUTIKNRNONE-QENPMARHSA-N 442.309 5.181 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)c1 409329583 GHXOQHIVBMHWTG-NDENLUEZSA-N 436.514 5.877 10 40 IKCB CN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 1778909 FMNVZXJQKLMQJD-UHFFFAOYSA-N 439.433 5.816 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 2209590 BQVAAFIAQUBTKY-BUVRLJJBSA-N 449.510 5.813 10 40 IKCB Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C)C1=O 2227192 WVGUXEMLIZTNSQ-BKUYFWCQSA-N 449.601 5.466 10 40 IKCB CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)cc1 8386237 WJZWFLWTNIKLQB-UHFFFAOYSA-N 447.534 6.935 10 40 IKCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1 9282677 CDUNDFWEZGIXOQ-IEHORWCKSA-N 445.573 5.187 10 40 IKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1Cl 9934512 IULSZUNCEMWSSI-GHRIWEEISA-N 437.282 6.373 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)S1 35042592 OJUKYUDENVRLTM-LFVJCYFKSA-N 428.557 6.219 10 40 IKCB N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 41076371 KPFBIWXOWRIDIX-JSIBOBQWSA-N 442.610 5.904 10 40 IKCB C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 225838371 SMDCXTSOYWUOBD-CYBMUJFWSA-N 443.922 5.243 10 40 IKCB Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1ccc([N+](=O)[O-])cc1 408635046 XFIJGUGSHSDGRF-NDENLUEZSA-N 435.461 5.361 10 40 IKCB COc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)c1 1448132 XGLSTSYDWGLSMR-UHFFFAOYSA-N 449.425 5.304 10 40 IKCB biogenic Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CCC5)c2C)cc1C 2888982 GVYASCKLESXPGL-UHFFFAOYSA-N 447.629 6.179 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1 3044338 ZPWFQPBBOFPUGI-LZYBPNLTSA-N 425.362 5.273 10 40 IKCB Cc1oc2ccc(O)c(CN3CCCC[C@@H]3C)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 8717866 CBZDVGFZHFVWHL-AWEZNQCLSA-N 446.469 6.092 10 40 IKCB O=C1c2ccccc2C(=O)c2cc(OC[C@H](O)Cn3c4ccccc4c4ccccc43)ccc21 8837589 IZDSLYODJHQCAB-GOSISDBHSA-N 447.490 5.010 10 40 IKCB O=[N+]([O-])c1cc(/C=C/c2nc(-c3ccc(Cl)cc3)cs2)ccc1N1CCCCC1 14359019 UTCPDFTYWOJQOH-VZUCSPMQSA-N 425.941 6.532 10 40 IKCB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3cccnc3)c12 85876483 XIBIMRQJYXUYBR-UHFFFAOYSA-N 444.491 5.383 10 40 IKCB biogenic CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccccc2Cl)cc1 408766977 UNRPFPNVJLXMFF-XQNSMLJCSA-N 432.907 5.582 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408901453 FHTSNLUQCORHGZ-HTMJNSLASA-N 448.407 6.032 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3F)C2=O)cc1 408986247 PBCMWAVUPMCAKN-QGOAFFKASA-N 437.873 6.488 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 409016012 TZCWWTOLYRVGQP-YBFXNURJSA-N 426.303 5.498 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c(C)c1 409127706 JMDHNCDHXFRYPH-KGENOOAVSA-N 435.593 5.058 10 40 IKCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)SC1=S 409214704 XUDRQCMXCPOPSL-UNOMPAQXSA-N 437.498 5.059 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 409327601 LGVHBJSKZGPYKQ-UNOMPAQXSA-N 433.982 5.933 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 1093429 QKYDTYKAFFPSKP-DEDYPNTBSA-N 437.268 5.128 10 40 IKCB CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1ccc(N(C)C)cc1 3082378 LEVVNWZGUBGJDS-IBGZPJMESA-N 441.306 5.892 10 40 IKCB Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2O)N2CCN(c3ccccn3)CC2)cc1 6154212 DNDQEZSOXMZIBM-RUZDIDTESA-N 444.966 5.209 10 40 IKCB COc1ccc(N2CCOCC2)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 9409749 MIIMJWDIXMXQRO-UHFFFAOYSA-N 437.348 5.306 10 40 IKCB CN(C)c1ccc(/N=N\c2ccc(N3CCCCC3)c3c2C(=O)c2ccccc2C3=O)cc1 15239900 YNUABFLHEKCFBP-ZIADKAODSA-N 438.531 5.934 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1 59862188 AVXWIWXHATXWJS-PXLXIMEGSA-N 426.472 5.389 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1 112292082 ZYQJDHGFTIFERF-BWAHOGKJSA-N 440.503 6.151 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)S2)cc1C 208232011 KRYNWFHDKUVDMM-QRAWFLTRSA-N 433.621 6.416 10 40 IKCB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1 224195198 AKYKFFWLFYQKDR-JWQCQUIFSA-N 439.588 5.370 10 40 IKCB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)cc2)n1 260899403 LBGOAVNAFNFGSJ-SIKLNZKXSA-N 430.596 5.276 10 40 IKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2F)N1c1cccc(Br)c1 408759979 PJUKZOQWKBZSAI-UDWIEESQSA-N 439.259 5.562 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 408892209 HHESUVUKPCSGFP-ULJHMMPZSA-N 439.511 5.451 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408935019 BZSBIDJZZLMGBF-DEDYPNTBSA-N 437.326 6.379 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409074967 VVQJMBVJFFDNMK-UFFVCSGVSA-N 441.865 5.119 10 40 IKCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 409143773 HQVDJLALSZAUNR-LFIBNONCSA-N 433.291 5.048 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 409345829 KBDCVDZBNFOSKQ-DEDYPNTBSA-N 440.977 6.072 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(SC)cc1 646015 XXXQJCDQYKBNED-WQRHYEAKSA-N 444.350 5.048 10 40 IKCB Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1C 1267963 AHINJVLHHQCQTN-DWVIGKKNSA-N 436.602 5.480 10 40 IKCB COc1ccc(N2CCN(C(=O)c3sc4ccc5ccccc5c4c3Cl)CC2)cc1 1393751 MNYNMHFSOYQOQK-UHFFFAOYSA-N 436.964 5.679 10 40 IKCB C[C@@H]1CC[C@@](C)(COC(=O)c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)C1(C)C 3846124 RXKGVUCNZGYOMG-OLNCMMQQSA-N 430.548 7.580 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S1 8821750 SWRIROGTMRXSRW-JLPGSUDCSA-N 428.557 6.219 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1CCc1ccccc1 9188655 XKDHUKAVNHXAMZ-QJOMJCCJSA-N 431.582 5.710 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)c(C)c1 107788277 ZCKXMGMRMDCPDJ-DEDYPNTBSA-N 435.530 5.408 10 40 IKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2c(Cl)cccc2Cl)N1 408875151 GLEABHYXUHAEBI-QWJLCTJOSA-N 446.333 6.595 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1Cl 409214008 WNIVRCBZSDIIAU-RGVLZGJSSA-N 443.355 6.642 10 40 IKCB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 409343377 GNILUMNHGMBZHA-NTUHNPAUSA-N 427.290 5.013 10 40 IKCB COc1ccc2nc3cc(Cl)ccc3c(NC[C@H](CCN(C)C)c3ccccc3)c2c1 4416435 HRBFTCJQAARQAL-IBGZPJMESA-N 433.983 6.197 10 40 IKCB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 5947742 XJXUDBOHODFYFK-RQZCQDPDSA-N 442.302 5.318 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)c1 12285134 UVWPGNLBZXHGLX-PDGQHHTCSA-N 438.892 5.059 10 40 IKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1 103646688 QPABHDPQUKISAW-DHDCSXOGSA-N 448.310 5.370 10 40 IKCB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc(C)c1Cl 260453110 DZEORQJEVMHSHC-PWIZWCRZSA-N 429.004 5.838 10 40 IKCB Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Br 260732810 BOKWGPPQOUOEHD-RDJZCZTQSA-N 446.458 6.041 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 408736229 MPOYPYXOGUIMSL-FHSNZYRGSA-N 425.153 6.591 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1 408760858 GNINNHFBWCRQEP-LDADJPATSA-N 427.298 5.484 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 408761970 IKFPPTGBILDCBG-UYRXBGFRSA-N 446.890 6.037 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 409150335 BDQQUFBMCSMPRS-OHUGHZGNSA-N 438.423 8.112 10 40 IKCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)c1 409249761 LKLDQMTZGVMGLH-WGOQTCKBSA-N 435.527 5.649 10 40 IKCB Nc1ccc(Oc2ccc(-c3nnc(-c4ccc(Oc5ccc(N)cc5)cc4)o3)cc2)cc1 838080 VOAHCPQKAZCUPQ-UHFFFAOYSA-N 436.471 6.153 10 40 IKCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 13146244 KPEXSKRNCJCWRD-UHFFFAOYSA-N 426.856 5.004 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 13473742 HRJJDUQGAXPDCP-WQRHYEAKSA-N 441.270 5.758 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)S2)cc1 35042586 VCLNOMHTWRRFRQ-LFVJCYFKSA-N 428.557 6.219 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21 208253352 ZZZNJUMSJHVYBT-IPZKOZABSA-N 441.934 5.294 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222965097 OKEYUWIUNVVXKE-PKTZIBPZSA-N 439.028 5.915 10 40 IKCB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 223031350 MRZKFMSAGUXAQE-NTKDMRAZSA-N 429.004 5.920 10 40 IKCB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1 408642987 QHPQCYPEMCTMCO-NRFANRHFSA-N 436.511 5.932 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)O)cc3C)C2=O)cc1 408762166 NLJFZQZOGNCONF-ZHZULCJRSA-N 445.902 5.827 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409155362 PPEBFERIVXVAPP-CPNJWEJPSA-N 445.382 5.532 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)C 409330855 MHXFZIULATVHBA-FYJGNVAPSA-N 427.591 5.895 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC 409343536 HFLHFUBGJITQRW-RCCKNPSSSA-N 427.591 5.978 10 40 IKCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(C)c2C)SC1=S 2878628 IJBJHAUYWOBTRH-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c(C)n1-c1ccc(F)cc1 8826344 HGXTWEVFPLHPCH-UHFFFAOYSA-N 446.507 5.740 10 40 IKCB CCCCOc1ccc(N2CCn3c(nc4cc(NC(=O)c5ccco5)ccc43)C2)cc1 13688533 PMJRAEGXIZEOHG-UHFFFAOYSA-N 430.508 5.081 10 40 IKCB O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)ccc1Cl 15226983 CFHRJXVJLAROLH-WOJGMQOQSA-N 425.849 5.539 10 40 IKCB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1 15947595 BBSWTDNLAKNTGU-KWKYVRJSSA-N 427.751 5.423 10 40 IKCB S=C(S)n1nc(-c2ccccc2)c(/N=N/c2cccc(Cl)c2)c1-c1ccccc1 17130524 YFPYVHIGODSLIT-OCOZRVBESA-N 434.977 7.349 10 40 IKCB COc1ccccc1C1=N/C(=C/c2cccs2)C(=O)N1c1ccc(Br)cc1 408843217 QYPZBUGXHUBEHW-QGOAFFKASA-N 439.334 5.354 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408892698 JBJOSBWRUPBFPJ-WJDWOHSUSA-N 436.722 5.914 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1 408986619 ROKXXRUVPVMSCV-PXLXIMEGSA-N 440.499 6.082 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)cc1 3999881 LKOHGFCXPAZGDV-MYKRZTLLSA-N 434.624 5.360 10 40 IKCB biogenic CN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 8775962 RVXQGAFYZOPAGM-XQNSMLJCSA-N 447.991 5.985 10 40 IKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccccc2Cl)C1=O)=C\c1ccccc1 8820619 DJQVUYAVFFEPOE-UJUKKVGJSA-N 428.966 5.126 10 40 IKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 8833878 BFALAZAHOCVDCD-BUHHDHKDSA-N 446.956 5.265 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 8995215 LESAPTXRFFKDQO-HAHDFKILSA-N 435.483 5.505 10 40 IKCB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 9404940 KREUQFUDMSHKKD-DEOSSOPVSA-N 430.577 5.309 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4cc(C)cc(C)c4)ccc3o2)cc1 16678554 IXBBSIOFFSRLCE-UHFFFAOYSA-N 443.547 5.975 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)SC1=S 33649125 CKJITHCWWYUBNA-ZSOIEALJSA-N 428.760 5.584 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)ccc1N/C=C\c1nnnn1-c1ccc(Cl)cc1 100972416 FAHMBUZZAVMKAQ-SEYXRHQNSA-N 436.302 5.283 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(F)(F)F)c1 222725202 JHSTYVPSWBDGRY-UXHICEINSA-N 430.499 5.110 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(F)cc1 223345321 POZBHOAIFYTJPA-ZEQRLZLVSA-N 446.551 5.394 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1 224600931 HFQWUCWEHRNJRY-JWQCQUIFSA-N 440.572 5.372 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)C1 260466213 IFSHFHMTUAZVRV-VXKWHMMOSA-N 444.644 6.706 10 40 IKCB COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408984139 FGDWSZLGZYTMIC-QGOAFFKASA-N 432.863 5.728 10 40 IKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc(Cl)c1Cl 408984357 HHQSDQPDLRWQGZ-GHRIWEEISA-N 426.730 7.118 10 40 IKCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 409246884 KOPYYCCSBPHSEA-RVDMUPIBSA-N 443.311 5.085 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc12 409328215 QBHPRLASRUDIGL-GRSHGNNSSA-N 446.380 6.561 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)SC2=S)c1 409332590 QNJXBTMEZZMPGF-WOJGMQOQSA-N 448.407 5.951 10 40 IKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 1781212 VPFJNIVNVZPVEG-ZSOIEALJSA-N 434.291 6.418 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 2218257 HMELNVRBDFFHHJ-FLVDCRJSSA-N 441.531 6.114 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)cc1Cl 17044908 RDGFBSYLRUUCBY-GZTJUZNOSA-N 441.270 6.069 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)cc1 408781628 DBHGPRARMMDLOH-BUVRLJJBSA-N 441.531 5.192 10 40 IKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2C(F)(F)F)N1 408860882 HFSJLCGYEWKHEJ-JPMUSVJPSA-N 445.440 6.307 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1 409342818 FBTAGCDEFXIQGD-CJLVFECKSA-N 432.570 5.951 10 40 IKCB COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1Cl 2160091 GFIOHPQJVIOZPH-UHFFFAOYSA-N 448.744 6.008 10 40 IKCB COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)/C=C/c2ccccc2)cc1 9159465 JTCVDNFSZVKVGA-FGQUTTIRSA-N 448.522 5.945 10 40 IKCB Cc1cccc(COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1 26713094 FBDHKVILQKJDDX-HAHDFKILSA-N 431.582 5.975 10 40 IKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2 36080681 WMKBBKPXQQABBL-XHWIWGEHSA-N 445.562 7.448 10 40 IKCB Cc1ccccc1NC(=O)c1cc2cc(/N=N\c3ccccc3C(=O)O)ccc2oc1=O 104276017 CHBAPMADBCPJAX-RQZHXJHFSA-N 427.416 5.467 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)c(C)c1 113837067 VRLLJGDLMIJASQ-FRKPEAEDSA-N 439.345 5.924 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 222701265 QSCSLAKOKQHGPC-QUURXOELSA-N 430.621 6.085 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1 224163855 OVLHSRHEXLTFRW-IZZNHLLZSA-N 438.600 5.975 10 40 IKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cc(Cl)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736234 MZACXPADUHMBLG-SLSDLSHTSA-N 436.382 7.707 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(Cl)cc2)cc1 408755479 NXQXADLPUQSNMN-CIAFOILYSA-N 441.745 6.790 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(O)cc2)cc1 408761110 BWTFFPFLDWLJPW-CIAFOILYSA-N 439.298 5.542 10 40 IKCB CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 409090141 LLMXRDKUCWUWHT-ZHZULCJRSA-N 432.907 5.582 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OC(F)F 409347658 QLBAARPCFNMLTN-MHWRWJLKSA-N 425.453 5.232 10 40 IKCB CC(/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1=O)=C\c1ccccc1 12112424 ZROUAAAEWVYCIW-YZXVBUGESA-N 449.384 5.486 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3cccn3Cc3ccc(Cl)cc3Cl)C(=O)N=C2S1 12285482 LXOIJAUPEYUPIT-CSJJXSSWSA-N 446.363 5.118 10 40 IKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1C(=O)c1ccncc1 16525758 FEJAINNNRJLEJR-STZFKDTASA-N 426.522 5.430 10 40 IKCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1Cl 100525296 FNTMRPMVBBKTLI-DUPNKOKHSA-N 440.872 5.247 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(F)cc3)C1=O)[C@@H](C)CC(C)(C)N2C 208224676 ZFPOQSCUVZDSOV-BDQMVGTNSA-N 438.568 6.093 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222874500 KMEGLCMXMUVWBD-FGZHOGPDSA-N 425.001 5.525 10 40 IKCB CCOc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 408777101 VFKZJOFRSOAOQQ-LTGZKZEYSA-N 426.472 5.773 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC 409332978 SXRQUQKLOBADBA-PXLXIMEGSA-N 435.570 6.043 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)SC2=S)cc1 409339701 KUFMITKFFROOSF-UDWIEESQSA-N 435.526 5.667 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)CC 409340232 SOJPQTREKUOYSF-AKGOGDBKSA-N 427.591 5.664 10 40 IKCB O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(CCOc2ccccc2Cl)c2ccccc12 3648616 YAACOAQJUSYKBU-DEDYPNTBSA-N 449.337 6.520 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 8867837 BWIVCKDLCREYJZ-AZAZKDLZSA-N 444.969 5.894 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 9293444 RAWIULFRQLUFJI-QCIUGURRSA-N 433.581 5.376 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1 13169297 UVQLYVGRJTZQFB-JFBLTNLISA-N 431.348 5.568 10 40 IKCB Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 26580575 PWSGZGKWDLRJTL-STZFKDTASA-N 427.591 5.407 10 40 IKCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830487 KSNLSNAVNMMBSJ-WOJGMQOQSA-N 442.905 5.914 10 40 IKCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 138635470 XIUFKAVTYYANIB-UHFFFAOYSA-N 440.499 5.682 10 40 IKCB O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408893033 DTXAGTGBWDKSBK-AUWJEWJLSA-N 430.765 5.715 10 40 IKCB COc1cc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OC 409170110 SZEIUUVBQHVDJL-JZKQVHKSSA-N 444.325 5.299 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2934414 GBZWJTSHYITMOY-OQLLNIDSSA-N 442.345 5.319 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8935134 WXZHYNIYTFJYOW-WPUDHWPRSA-N 448.360 6.042 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1c(O)ccc2ccccc12 38179898 UMFJFUKJUXWNPK-KQWNVCNZSA-N 435.479 5.576 10 40 IKCB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(N(CC)CC)cc1 102788951 LMCNORUSFYPUTC-MHZLTWQESA-N 445.607 6.735 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(C)c(C)c4)=NC3=O)cc2C(C)=CC1(C)C 208504155 CYEPXTZXEFIJEZ-UCQKPKSFSA-N 431.605 6.408 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222968847 YMTHHKILMFZSBF-DQEYMECFSA-N 432.637 5.879 10 40 IKCB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 224586584 RSHYSMRJGGIOFW-LOSJGSFVSA-N 440.572 5.366 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4F)o3)SC2=S)c1 408604739 WMKFGPAROHAXGR-YBFXNURJSA-N 445.537 6.353 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2)cc1 408848527 XCNVWLBRQYDXOV-CJLVFECKSA-N 447.332 5.682 10 40 IKCB O=C(O)CCN1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)SC1=S 409098334 OITFRFMLLRLWCM-KGENOOAVSA-N 449.553 5.095 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)cc1 409352088 WAVJFYLGRCYWQQ-WQRHYEAKSA-N 446.380 6.968 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(OC(F)F)cc1 3291697 CRBANNLSLLWJSR-UHFFFAOYSA-N 449.453 5.888 10 40 IKCB CCOc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)no2)cc1 21524312 SZDGUYYVEWUVGZ-UHFFFAOYSA-N 445.519 5.242 10 40 IKCB Cc1ccc(C)c(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 33391842 KWIVUQBZVWCBNO-MOSHPQCFSA-N 448.009 5.636 10 40 IKCB CCN1C(=O)/C(=C(/C=C/C=C2/N(C)c3ccccc3C2(C)C)c2ccccc2)SC1=S 36293990 UMXJEPRTNZRTIW-QGNRYMCXSA-N 446.641 6.146 10 40 IKCB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1 224320380 XAFDEBNAFKUTBO-FTJBHMTQSA-N 438.600 5.975 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(Cl)cc2)cc1 408753245 FVVAERJLYGTPPU-KOEQRZSOSA-N 438.914 6.336 10 40 IKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 408843767 NNVIBLFLWULBAL-MYYYXRDXSA-N 430.935 6.342 10 40 IKCB Brc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@H]21 409156404 NQISHTXTDGPYNQ-WZOHSFFVSA-N 448.429 7.568 10 40 IKCB Oc1c(Cl)cc(Cl)cc1CNc1ncc(Br)cc1Br 2240270 OATSGEDVVVDABL-UHFFFAOYSA-N 426.923 5.231 10 40 IKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1CNc1ccccc1Cl 3101303 PKWAZIXGRQQCQU-NVNXTCNLSA-N 429.781 5.918 10 40 IKCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 8820971 QTGNKLHJQLQHHQ-VCHYOVAHSA-N 431.300 6.041 10 40 IKCB Cc1cc(O)ccc1/N=N/c1ccc(Nc2ccc(S(=O)(=O)O)cc2[N+](=O)[O-])cc1 38171389 LMWVIMOPAMZMLR-QURGRASLSA-N 428.426 5.015 10 40 IKCB C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218987525 ABLUZJGRNXRVRJ-YADHBBJMSA-N 428.576 5.993 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc(Cl)cc3F)cc2)C1 260740885 AIMDWSKCMZQSQB-DLBZAZTESA-N 435.008 5.826 10 40 IKCB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c1 408903537 ZIPKERWAIVJULB-FYJGNVAPSA-N 447.922 5.340 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC)cc3)c3ccccc23)c2ccccc21 409203078 WECXQWHIOSARRR-XIEYBQDHSA-N 438.527 5.636 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)SC1=S 1179913 LLWGQTYWEBRNCO-WQRHYEAKSA-N 433.982 5.457 10 40 IKCB CC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(N(C)C)cc1 1831921 XSVWZDTVEWIFKJ-LJAQVGFWSA-N 444.619 6.111 10 40 IKCB biogenic Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccccc3)c3ccccc3c2O)c2ccccc12 16807688 WNUUOKLMCYNYQG-UHFFFAOYSA-N 442.540 5.907 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1 222829916 NOTFCFYTZJFMCF-VXKWHMMOSA-N 425.001 5.523 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1cccc(C)c1 408844156 OQMOAPNLQUIKEA-FYJGNVAPSA-N 437.326 6.145 10 40 IKCB COC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1C 408987417 XNNCNVJROVCWAZ-HMMYKYKNSA-N 429.903 5.906 10 40 IKCB Cc1ccc(C)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c1 924776 IORRHVPNNOYXDI-UHFFFAOYSA-N 435.524 5.678 10 40 IKCB CCOc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CC[C@@H](C)C2 2072944 QIGADTORCOEIPM-OAHLLOKOSA-N 440.634 6.506 10 40 IKCB O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1cccc(Cl)c1 15055803 JPWRKGHLDVLWAW-NVNXTCNLSA-N 440.771 5.170 10 40 IKCB Cc1ccc(NC(=O)c2c(NS(=O)(=O)c3ccc(C)cc3)sc3c2CCCC3)cc1 18173764 KRSUOCFVFPDRDP-UHFFFAOYSA-N 440.590 5.297 10 40 IKCB S=C(Nc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408736009 ZRDVHCKDCAEBMI-UHFFFAOYSA-N 430.536 6.898 10 40 IKCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 409014432 PRXJJZUCLRJQOJ-XDHOZWIPSA-N 436.920 5.048 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1C[C@H]1CCCO1 409082514 JJOBLSORHCKHEJ-DZZSIBQASA-N 440.373 5.634 10 40 IKCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1C(C)C 409104007 YBHZEAGUBQPJTD-XNTDXEJSSA-N 447.318 5.100 10 40 IKCB CO[C@@H]1O[C@@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@H]1N=[N+]=[N-] 5882355 NBKQFQWEPBVLEY-MTQWCTHYSA-N 438.311 5.146 10 40 IKCB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 12496956 FOFVUXVPEGWOBU-UHFFFAOYSA-N 426.885 5.084 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 14009850 CYXSAZUJYIMJMP-BUVRLJJBSA-N 447.966 6.187 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1 41082862 LVGPKFDPCNFIQB-HRXHUYTNSA-N 433.581 5.520 10 40 IKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1cc(Cl)ccc1Cl 100524947 DPVZOEULWYGDQL-LRDZBDLTSA-N 430.320 5.992 10 40 IKCB C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OC)c1OCc1ccc(C)cc1 108144635 DFWMGCVMVLFCEN-STZFKDTASA-N 439.602 5.532 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccn1 224424194 XLSQKEKVKVCYIW-ZEQRLZLVSA-N 443.551 5.200 10 40 IKCB CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Br 408600199 WUIKSUSLQZCXCX-WQRHYEAKSA-N 448.407 5.890 10 40 IKCB CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 408866079 GGNCCJUUYUZBDD-BKUYFWCQSA-N 444.984 5.821 10 40 IKCB CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2ccccc21 409116757 LERJTKIIULTGHI-XKZIYDEJSA-N 447.365 6.904 10 40 IKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21 409151475 HBWBVVMRGGIBOU-ZJNRKIDTSA-N 441.234 6.137 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc2c(c1)OCO2 409335706 YVFHVAYGELXFIO-WSDLNYQXSA-N 447.537 5.400 10 40 IKCB Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1C 3289019 UHHKFMQDERZJFL-UHFFFAOYSA-N 432.549 5.492 10 40 IKCB aggregator Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1 8424862 MCYDZXQOCGIQQS-YBFXNURJSA-N 446.380 6.968 10 40 IKCB Cc1ccc(C(=O)N2N=C(c3ccccc3O)C[C@@H]2c2ccc(Br)cc2)cc1 9192399 XOTOGPQEHVVJLC-OAQYLSRUSA-N 435.321 5.455 10 40 IKCB CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 9233785 XZRBUYBVCOKFQU-RIHJCCTQSA-N 449.580 5.158 10 40 IKCB CN(C)Cc1c(O)ccc2c(=O)c(-c3ccc(Br)cc3)c(C(F)(F)F)oc12 9359756 HNPIVADSJGVXBX-UHFFFAOYSA-N 442.231 5.009 10 40 IKCB biogenic Cc1ccc(-c2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1Cl 13799110 PDZIYEBXXWIGLG-OEEDQDNFSA-N 445.931 6.213 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1 16268399 VQVYPRIGZUHKFF-UDWIEESQSA-N 437.858 5.393 10 40 IKCB COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O 33757700 ONBVQBUITBHGTA-OQLLNIDSSA-N 440.771 5.517 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225018731 ZUVCXLDQFSUBPY-AOYPEHQESA-N 444.648 6.021 10 40 IKCB O=C(Oc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 408736634 YDRPVBCULRRYLM-QTEQDKRBSA-N 436.338 7.039 10 40 IKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408744628 ZAAOTUUHOWKJPW-RVDMUPIBSA-N 438.233 5.599 10 40 IKCB COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2ccc(Br)cc2)C1=O 408753328 LYQKNRRNSLZTEW-RCCKNPSSSA-N 447.332 5.601 10 40 IKCB COc1cc([C@@H]2Nc3c(C)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 408860203 WRHZLCVMXNXFTA-CKNLXJGOSA-N 434.761 6.255 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccnc3)C2=O)cc1Br 408986979 UEUSPXHVAKVDED-CPNJWEJPSA-N 447.332 5.714 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C(=O)N=C2S1 41108469 DPUMEYGLQJFMJI-VFTGSSLDSA-N 447.608 6.027 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1O 222821592 AFPJGWPMWMOHOB-YADHBBJMSA-N 441.000 5.229 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cc(Cl)ccc1O 222821715 AFPJGWPMWMOHOB-VXKWHMMOSA-N 441.000 5.229 10 40 IKCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O 223499533 PZLNYFPFSUDPCU-DDLUMYACSA-N 442.581 5.005 10 40 IKCB S=C(NCCCN1CCCc2ccccc21)Nc1ccc(Br)c(Cl)c1 225746031 GULPGOQDKFPOKW-UHFFFAOYSA-N 438.822 5.232 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc3ccccc23)cc1 408783460 PITNYAKSLAWEOH-HAVVHWLPSA-N 432.479 6.528 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC 409347337 LWTJURSJWKYMCP-LGVXEURYSA-N 449.597 6.432 10 40 IKCB CCN1C(=O)/C(=C2/C(=O)N3c4c2cccc4[C@](C)(c2ccccc2)CC3(C)C)SC1=S 2405348 SVVADTMLQTVOPT-CSJPXGCCSA-N 448.613 5.113 10 40 IKCB O=[N+]([O-])c1cccc([C@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)c1 6444722 YBSJBYCBSDKPCS-UKFDBNNRSA-N 449.348 6.252 10 40 IKCB CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 8828444 DKWYNNXUJISHRA-UNOMPAQXSA-N 435.574 5.012 10 40 IKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cc(C)cc(C)c2)cc1 17096483 CLWJZMTUZZJFJS-MOHJPFBDSA-N 429.495 5.588 10 40 IKCB COc1ccccc1NC(=O)c1cc2ccccc2c(/N=N/c2ccc(C(N)=O)cc2)c1O 38613471 HULNYTPFPARJMG-ZQHSETAFSA-N 440.459 5.321 10 40 IKCB CCOc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1 59484139 RZJIGZMXFRKSJZ-UHFFFAOYSA-N 440.499 5.286 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 409157954 QSVHYYHCRLBXIH-UZINWLIJSA-N 428.557 7.022 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] 409329440 FPHFCWNBCYDVHO-CHHVJCJISA-N 441.317 5.316 10 40 IKCB CCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 856816 MGXGZBQGUWYKSQ-RSXGOPAZSA-N 436.640 5.870 10 40 IKCB biogenic O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc(Cl)c1Cl 1265087 LEGUTFWTYAUISL-UVTDQMKNSA-N 441.361 5.207 10 40 IKCB COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCC(=O)Nc1ccc(C)cc1 3641645 LOCZCMHCHBBYDM-UHFFFAOYSA-N 439.515 5.711 10 40 IKCB Cc1ccnc(N[C@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1 8452688 YGDWDKVACVMXAO-HHHXNRCGSA-N 447.538 6.424 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 8821509 CPZALUKFJMLWIN-DEDYPNTBSA-N 436.514 5.823 10 40 IKCB COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O 13804923 JCMUKYPMMZAEEW-NVNXTCNLSA-N 429.872 5.773 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1ccc(C)cc1 34864952 CZVKKZVTHBTCRX-ULJHMMPZSA-N 442.515 5.268 10 40 IKCB Cc1ccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 35074027 MZQIDQHOLNOXBT-UHFFFAOYSA-N 444.563 7.207 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl 89780944 FZWVUPGNOPOYCF-LFYBBSHMSA-N 433.839 5.121 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(OC)c1OC 96921013 NJWVHLGTSXBJKW-XDHOZWIPSA-N 429.563 5.242 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1 222920102 WLAWGPRPRFPDFT-XZOQPEGZSA-N 439.028 5.771 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223121074 QTTFCDPUDXDGOA-RPBOFIJWSA-N 446.620 5.495 10 40 IKCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O 223487870 XICKPXMNEXOMAJ-DORSJAEJSA-N 442.581 5.085 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 408892103 GDJZTHHICCZNQN-UQQQWYQISA-N 439.511 5.451 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 408943459 SHAHAVFEUJJEQC-DEDYPNTBSA-N 448.881 5.500 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1C 408961121 RDXFRQCAXKXPRM-UCQKPKSFSA-N 448.563 6.341 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1O[C@H](C)CC 409198980 MVIUBYCJZUMRED-RBYWHNRPSA-N 430.595 5.218 10 40 IKCB CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O 409327797 NDTAAQPQPLIFQZ-MDBUFAAASA-N 433.982 5.932 10 40 IKCB CCOc1ccccc1/N=N/c1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3)cc2c1 18177151 VLBVIPHPPAURDO-BYYHNAKLSA-N 427.460 6.168 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 33657651 SAERAADMQPRUIC-WMIGAGKJSA-N 443.935 5.162 10 40 IKCB CCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Br 108217104 JZCLKIIDEDIOQV-YBEGLDIGSA-N 437.746 5.584 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 208256279 BDHPOAQPEFVWMB-LPKQHDGYSA-N 443.037 6.468 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222620387 VBVDBWUUKPHVLF-XYURVEJXSA-N 430.621 5.949 10 40 IKCB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1 224201132 VPUCDDTZNSKJPF-IZZNHLLZSA-N 438.600 5.975 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3F)c(Cl)c2)C1=O 408871602 ZYRVJWUGKSLOLZ-XDHOZWIPSA-N 448.881 5.045 10 40 IKCB Cc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(C)n1-c1ccc(Cl)c(Cl)c1 409118466 QKMSOWYMRRDBSI-MTJSOVHGSA-N 439.386 6.944 10 40 IKCB Cc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(C)n1-c1ccc(Br)cc1 409120348 TZYMZAHWJWIOHA-UCQKPKSFSA-N 449.392 6.400 10 40 IKCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)c1 409243270 RKUNAXMAIMNCFT-SSDVNMTOSA-N 437.902 5.288 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(C)C 409343227 DCLGZSUPHACPBR-XKZIYDEJSA-N 441.618 6.143 10 40 IKCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CNc1cccc(Cl)c1 2756651 BKDGXLKBVXMCBX-OVCLIPMQSA-N 439.787 5.373 10 40 IKCB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCC[C@@H](C)C4)c23)cc1Cl 8612133 ZHSGQVLTFASPHA-CQSZACIVSA-N 442.943 5.593 10 40 IKCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)cc1OC 10130376 QTOGKDTWMVQWIR-YQNUULROSA-N 430.957 5.917 10 40 IKCB Cc1ccc(Cn2cc(/C=C3\C(=O)N(c4cccc(C)c4)C(=O)N=C3O)c3ccccc32)cc1 13688180 SMYSETRPMONZDZ-IWIPYMOSSA-N 449.510 5.813 10 40 IKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2C)cc1 17097738 ZHFJQYANSOZTCG-QJOMJCCJSA-N 431.923 5.794 10 40 IKCB CCc1ccc(N2C[C@](O)(c3ccc(Oc4ccccc4)cc3)[N+]3=C2SCCC3)cc1 27525094 NCLAAHUHUMQPDS-SANMLTNESA-N 431.581 5.212 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 222882686 QFKJZBUFAPJUTG-UKILVPOCSA-N 432.637 5.742 10 40 IKCB CCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1OCC 2261079 JMUDYKZKRHXRJA-QJOMJCCJSA-N 442.515 5.327 10 40 IKCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc(Cl)cc1 3504326 HOSDWFCDUGYHDM-GFCCVEGCSA-N 442.894 5.258 10 40 IKCB Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccsc1 10215254 GORQYQJYNCVMMB-YLJYHZDGSA-N 427.323 5.459 10 40 IKCB COc1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(O)c1 12185667 CKIJEHLVGTZKTO-OAQYLSRUSA-N 438.524 5.190 10 40 IKCB Cc1cccc(NC2=NC(=O)/C(=C/c3c(C)nn(-c4cc(C)ccc4C)c3Cl)S2)c1 13039039 BBAAQSDNGXTPAX-NDENLUEZSA-N 436.968 5.842 10 40 IKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 35624714 HAJWDEVEVIJIKA-ZDLGFXPLSA-N 449.746 6.989 10 40 IKCB CCOc1c(Cl)cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Cl 409162187 SRHNKQAEFPSRFU-QGZVFWFLSA-N 440.417 5.406 10 40 IKCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1 409244524 FABPMDYUAMQMMS-UDWIEESQSA-N 437.952 5.687 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)SC2=S)cc1Cl 409344297 IUTOCCIDYKDTOH-GRSHGNNSSA-N 433.982 5.789 10 40 IKCB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 8821422 ZLYGYMNMUGZTBB-UDWIEESQSA-N 439.945 6.208 10 40 IKCB O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cccc2cccnc12 8859986 GZEORWVYZZMKSJ-UHFFFAOYSA-N 442.496 5.267 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C(=O)N=C2S1 9282690 XPLBCQXZVHGDCB-HTEOLXNASA-N 433.581 5.637 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1Cl 9313164 VYSVMRBMNWFKAM-NDENLUEZSA-N 433.895 5.563 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OC[C@@H](C)COc3ccccc3)c(OC)c2)SC1=S 41108585 GVUUQODMMWLYRX-JHDSZEHQSA-N 443.590 5.010 10 40 IKCB CCOC(=O)c1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 100510935 GYICOCZDAFZWFB-QTJUSOIVSA-N 447.520 5.170 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)cc1 409002108 SLZLYVVKOMXACY-PXLXIMEGSA-N 437.326 6.227 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2O)cc1Cl 2399074 LVKHSDSRUQCSGB-NDENLUEZSA-N 447.922 5.235 10 40 IKCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(F)cc2)C1=O)=C\c1ccccc1 8833879 GUSSXWPNFFSSFS-GEZYKDBCSA-N 440.565 5.392 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)cc2)cc1 9188672 MJUHYHNQGMKJGM-UZXDDYOISA-N 445.609 6.536 10 40 IKCB O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 13940295 KTDOXJNQLKAOJL-UUASQNMZSA-N 430.765 5.715 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 106703562 FTPPFTBPKDGCNV-MTJSOVHGSA-N 433.485 5.498 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 208257340 WMCXJBKASAJDKT-ZGFXFUDXSA-N 440.996 6.299 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC1=S 409214689 ZWFRJUGESBQECY-DHDCSXOGSA-N 435.324 5.072 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)C(C(=O)OC)=C2C)cc1 409252648 CWFZAZWUXNKYMI-BWAHOGKJSA-N 439.511 5.919 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(C)C 409331722 PDQYOPSSWJSCJQ-BKUYFWCQSA-N 443.590 5.535 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409348233 SDVBZQADAMFQIW-SGEFVQMOSA-N 438.401 6.577 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Br 409350737 YPYUINDBFNHWFJ-WQRHYEAKSA-N 448.407 5.870 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1c(Cl)cccc1Cl 1181687 CEYZIIPSEISJBJ-MFOYZWKCSA-N 440.373 5.412 10 40 IKCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 2252211 XJILQCKPDAZNNF-AQTBWJFISA-N 430.982 5.269 10 40 IKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(Br)c1 8872216 NHXKHHQKWKBPDS-QGOAFFKASA-N 447.288 5.829 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccncc1 33930590 QMYQJNUFVMBZKV-STZFKDTASA-N 434.542 5.075 10 40 IKCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 58865983 ABOBYLNRZWIIPO-UHFFFAOYSA-N 433.287 5.326 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Br)cc1 408753832 KOTLJFCSCNYVBX-KGENOOAVSA-N 435.296 5.731 10 40 IKCB Cc1cc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)c(C)n1-c1ccccc1 408975179 IXWXJPNRAPYGEZ-HXUWFJFHSA-N 432.574 5.530 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 409052018 FXKXGZFSDCIZRH-XYGWBWBKSA-N 440.543 5.588 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409130491 ICICXTFNRDYPMS-BUVRLJJBSA-N 436.621 6.834 10 40 IKCB COc1c(Cl)cc(Cl)cc1C[C@@H]1SC(=S)N(CCc2ccccc2)C1=O 409144611 MAGGOTQAXARBCQ-INIZCTEOSA-N 426.390 5.016 10 40 IKCB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccncc1 409330629 LDMBEOMZSCZHKE-STZFKDTASA-N 440.590 5.203 10 40 IKCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(Cl)cc1Cl 409347362 LXRSNGBUYQAWGU-WQRHYEAKSA-N 435.401 5.999 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1O 409350478 RPUSWNKCJQSKGR-MKMNVTDBSA-N 446.764 5.767 10 40 IKCB CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 9291196 JIHWYTCILMKGIV-NFBUKIRSSA-N 437.544 5.289 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 41083251 KSVWOSKYXYGMFV-ZDOQCZMASA-N 439.972 5.331 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(O)=NC(=S)N1c1ccccc1F 59135723 LKCVRKPALNDONP-XMHGGMMESA-N 432.476 5.076 10 40 IKCB Cc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 59484870 OXYXRVKAVRPSGG-XIEYBQDHSA-N 446.506 6.040 10 40 IKCB Cc1ccc(Cl)cc1NC1=NC(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)S1 208194754 JCPYAJWVKWQKRD-ZGFXFUDXSA-N 440.012 6.453 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21 208221441 NQCUWXAXANQWPJ-OFNOZLENSA-N 440.996 6.299 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 214127946 PAKYLFDKNUOPNQ-FYJGNVAPSA-N 432.501 5.029 10 40 IKCB CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486884 LPDDLBIBEDCDEM-AVRDEDQJSA-N 426.925 5.748 10 40 IKCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(C(C)C)o2)c(C)n1-c1ccc(OC(F)F)cc1 9336994 JNJKBRQNSYVQQG-CQSZACIVSA-N 435.496 5.565 10 40 IKCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1c(Cl)cccc1Cl 15932154 SAHHRWZSOAHXQW-LZYBPNLTSA-N 426.346 5.070 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 35045220 UTGGBJMSXIYJJH-BOPFTXTBSA-N 431.706 6.713 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 58928759 MJGIGLFLTWCBSR-PEBVRCNWSA-N 439.136 6.281 10 40 IKCB CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(N(C)C)cc1 102489375 AVJMDCFRAVPEOG-XMMPIXPASA-N 448.636 5.913 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3cccc(N4CCCC4=O)c3)cc2)CC1 225657122 CQCGFWUMRPSDEA-IBGZPJMESA-N 436.625 5.097 10 40 IKCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccc(C)c(C)c1 408536516 WQOBQHLOYQLUII-PKAZHMFMSA-N 439.603 6.490 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 408934898 BPZBZCUIXRAWGA-KGENOOAVSA-N 430.891 5.361 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 409164430 IKHIGQBCSFOTBY-AGKHESDQSA-N 428.679 6.948 10 40 IKCB Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=S)N(C)C2=O)cc1 20367369 RRJUOOZQTBBOFY-YVLHZVERSA-N 434.380 5.168 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 222720587 RIMUFWNIKJTAIM-NPFVIJTESA-N 427.017 5.623 10 40 IKCB CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O 223610990 MQSRNNNFRVLDIR-YODDIOPGSA-N 444.597 5.095 10 40 IKCB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl 225655895 FRLQZIFWVHBECQ-INIZCTEOSA-N 446.016 5.411 10 40 IKCB CC(C)N1c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 260573757 ZPCVYPNQWLJHMF-VVRYKASASA-N 436.646 6.593 10 40 IKCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 409000067 MJQVQKMAUYSLNN-UDWIEESQSA-N 439.346 5.661 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1sccc1Br 409031814 BLUBWXLGBKJJLV-GQCTYLIASA-N 437.187 5.012 10 40 IKCB CN(C)c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Br 409128693 TWIYZRMGEITDGB-XMHGGMMESA-N 445.382 5.184 10 40 IKCB Cc1cc(C(=O)COC(=O)/C=C/c2cccc(F)c2)c(C)n1-c1ccc(OC(F)F)cc1 3372996 QSLZIBSVQJUNPX-IZZDOVSWSA-N 443.421 5.274 10 40 IKCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 8496238 BPTSCPOBXYHLRR-HZHRSRAPSA-N 428.488 5.626 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccccc1Br 13894639 WHJSOJOXOJNYSQ-NBVRZTHBSA-N 436.736 6.574 10 40 IKCB CC(=O)Nc1ccc(NC(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)c(C(F)(F)F)c1 25049221 CTJLITUJUOEELJ-FMIVXFBMSA-N 441.453 5.723 10 40 IKCB COc1cc(/C=C2/SC(=S)N(C3CCCC3)C2=O)ccc1OCc1ccccc1 34909885 VBBKEEUHVRVHBL-KGENOOAVSA-N 425.575 5.418 10 40 IKCB O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58847350 GJBOBNXMAAYMGZ-YZUZCNPQSA-N 436.964 5.967 10 40 IKCB Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C 208228722 NAWABVGJYPDTRA-IXGURIBZSA-N 437.971 5.463 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)S2)cc1 408785577 HOVNACXJZWTZTJ-SJJVXOANSA-N 431.605 5.819 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 408893949 OUYUQFPKUGDGJN-KQWNVCNZSA-N 443.474 5.282 10 40 IKCB Oc1c(Br)cc(Br)cc1CNc1ccc(Oc2ccccc2)cc1 409121849 YFYIEEUONNLPOH-UHFFFAOYSA-N 449.142 6.322 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)ccc1O 1293599 ITGGRISVSQMMKN-ZHZULCJRSA-N 428.579 5.043 10 40 IKCB Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1 2075878 QVZUYMOBIOCTMC-KGENOOAVSA-N 435.296 5.731 10 40 IKCB Cc1ccc([C@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 8437992 KQSLBWJBZMFNLO-SANMLTNESA-N 442.518 5.821 10 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CCOc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 408903527 ZDHSBFJRPBJBJG-PXLXIMEGSA-N 434.586 5.899 10 40 IKCB CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccc(F)cc1 2160139 SIONVRJSCCZOAW-UHFFFAOYSA-N 446.316 5.884 10 40 IKCB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)/C=C/c1ccc(N(C)C)cc1 3434709 KTKDBAPUGYJEDN-FMIVXFBMSA-N 426.563 5.371 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 9158813 ZHYFVQUDAAYECR-ONWPUYBOSA-N 433.581 5.602 10 40 IKCB COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(O)c2/N=N/c2ccc([N+](=O)[O-])cc2)cc1 9514115 YIFQDGDAHFTBHB-OCEACIFDSA-N 445.431 6.115 10 40 IKCB biogenic O=C(N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)c1cccs1)c1ccccc1 27025957 AGNUJDCJDFHAOY-USTXVIIHSA-N 440.528 6.214 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1C1CCCCC1 59135871 NEAFRQBASQASOB-QGOAFFKASA-N 425.529 5.421 10 40 IKCB CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 100165327 BKZQXZGTUBEUEL-KSEXSDGBSA-N 437.326 6.379 10 40 IKCB O=C1Sc2ccc(S(=O)(=O)Nc3ccc(/N=N\c4ccccc4)cc3)c3cccc1c23 102628196 GSPAHSOHAXFZED-IZHYLOQSSA-N 445.525 6.302 10 40 IKCB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219349263 RPSBPPSUFWMDRP-BUEREQSYSA-N 430.592 6.111 10 40 IKCB COc1cccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)c1 408763765 USDGQWHUWKMTAD-KGENOOAVSA-N 433.305 5.292 10 40 IKCB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(/N=N/c2ccccc2)cc1 409101557 YZKNLYYOJMLXQP-BYYHNAKLSA-N 429.907 7.230 10 40 IKCB Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c1 8819666 BPMAIAOLJLQRPS-PGMHBOJBSA-N 438.618 5.704 10 40 IKCB CCOc1cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccccc1 13371359 LZUYKWCTOXMURF-JCMHNJIXSA-N 428.484 5.654 10 40 IKCB CC(C)(C)c1cc([C@@H](c2c(O)ccc3ccccc23)N2CCOCC2)cc(C(C)(C)C)c1O 20840409 NEARPYRYUBUGBV-SANMLTNESA-N 447.619 6.268 10 40 IKCB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(C)cc3)N2[C@H]1c1ccc(N(C)C)cc1 35177956 DYBJVFKUUIQUDM-QHCPKHFHSA-N 433.577 5.356 10 40 IKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 219769712 BIEUGHPCBUATAZ-UHFFFAOYSA-N 434.967 5.839 10 40 IKCB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)c(C(F)(F)F)c1 408952481 WCUPWLFBAKTZLS-UHFFFAOYSA-N 428.237 6.487 10 40 IKCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408975922 CUKVMRXTGAUPCP-MHWRWJLKSA-N 433.678 5.368 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2)cc1 409232044 NOXAVAKHJOHRPG-RCCKNPSSSA-N 444.581 5.286 10 40 IKCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1 409233357 VGVRUBWSEKPIMP-LICLKQGHSA-N 443.242 5.049 10 40 IKCB CCOc1ccccc1NC(=O)c1c(NCc2ccc(N(C)C)cc2)sc2c1CCC2 3066002 LZNFAVDDQDCATD-UHFFFAOYSA-N 435.593 5.566 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)CC 3769071 ZMRQMEOEDNFWLD-NIZGNDASSA-N 441.618 6.285 10 40 IKCB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 8872542 RZMQMXVDUGDQLT-GNUZOCDUSA-N 425.962 6.562 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 34688923 JYEHSUAJMYVHDO-UTQUROFUSA-N 439.972 5.475 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl 103918817 ABLMBINTRCGRRY-UNOMPAQXSA-N 445.375 6.492 10 40 IKCB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Br 218828660 DEMPXIJIZANHER-SFHVURJKSA-N 445.401 5.250 10 40 IKCB O=C(Nc1cccc(Br)c1)c1ccc2nc3ccc4ccccc4c3nc2c1 408721939 NELOUIITOQHLKJ-UHFFFAOYSA-N 428.289 5.951 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1C[C@@H]1CCCO1 409084576 WVOLNXRIUHRGPE-BRLDDBHUSA-N 445.993 5.299 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 409381426 GACPOKHVNZSYEM-BOPFTXTBSA-N 430.287 5.073 10 40 IKCB COC(=O)c1cc(CSCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)oc1C 2655098 LGWJDVBTKFFFSG-UHFFFAOYSA-N 431.941 5.552 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(I)cc3)SC2=S)cc1 6798443 UEKQAQJSUPSPAN-XNTDXEJSSA-N 437.327 5.005 10 40 IKCB Cc1ccc2ccc([C@H](Nc3cc(C)c(Br)cn3)c3ccccn3)c(O)c2n1 46085483 QANGFOMQCANPAR-NRFANRHFSA-N 435.325 5.311 10 40 IKCB CC(C)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003902 FGALDVKBOHPFPH-UHFFFAOYSA-N 444.984 5.243 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 222862300 OVKVSWIAFFBOTG-YADHBBJMSA-N 441.044 5.749 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)C1 260742217 UIYZBTYTANWULG-PMACEKPBSA-N 437.653 6.292 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)SC1=S 409352745 YZTDWFGPOQMBCZ-MOSHPQCFSA-N 440.590 5.049 10 40 IKCB Cc1cc(C(=O)[C@H](C)Sc2nc(C3CC3)n[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 11275458 YFDNSPBFDSUDFW-ZDUSSCGKSA-N 432.496 5.055 10 40 IKCB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1 15947591 BBSWTDNLAKNTGU-MLXNANBUSA-N 427.751 5.423 10 40 IKCB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1 33774712 NNKLAOPXKSGTAO-JNANOZLHSA-N 432.336 5.040 10 40 IKCB O=C1N(Cc2cccc3ccccc23)c2ccccc2C12Nc1cccc3cccc(c13)N2 49947087 TXQDPIADBCYWGA-UHFFFAOYSA-N 427.507 6.230 10 40 IKCB COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)c1 58845840 LCTBMBOSNPUQBY-PPJWLVRDSA-N 446.572 5.631 10 40 IKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 408869515 PUDYZQPINJCYIJ-LIBAHTEVSA-N 448.700 5.356 10 40 IKCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408903113 UQOOOVMMKFFOFD-FYJGNVAPSA-N 448.569 5.507 10 40 IKCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O 409245074 NAOWYBQNCJXCBJ-BUVRLJJBSA-N 447.510 5.115 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3CCCCC3)C2=O)cc1 8819791 XUFWFZSQJIDNLN-SILNSSARSA-N 430.639 5.206 10 40 IKCB O=C1N=C(NC2CCCC2)S/C1=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1 20987543 JKWUFKZPDLVNTB-UYRXBGFRSA-N 425.941 5.095 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 100148259 LNZNGTZSGXLGGJ-FYJGNVAPSA-N 437.326 6.379 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(Br)cc1 108982046 BCGIQQUJKQAHCA-ZHZULCJRSA-N 448.316 5.480 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 222720454 RIMUFWNIKJTAIM-URZJWIJPSA-N 427.017 5.623 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C 222781087 BLIWCGSLZYVJJJ-RPBOFIJWSA-N 426.589 5.635 10 40 IKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222918657 UHAQPZDHJYOUPH-JWQCQUIFSA-N 432.637 5.680 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 408739474 WPGQGSWOZCZBLQ-LTGZKZEYSA-N 430.345 6.483 10 40 IKCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1 408759839 MPIIQVHYRGDSRK-KGENOOAVSA-N 434.854 5.100 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2cccc(C)c2)cc1 408761740 HFIKWDPMQFEQKG-ZXVVBBHZSA-N 432.523 6.381 10 40 IKCB COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12 409046859 LAFZHETVRNAHRY-NTEUORMPSA-N 432.348 5.350 10 40 IKCB Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 2381783 OCZZGCIRJMKUMG-JXAWBTAJSA-N 430.620 5.457 10 40 IKCB N=C1/C(=C/c2cccn2Cc2ccccc2Cl)C(=O)N=C2SC=C(c3ccccc3)N12 33157357 MTGIYBKDKGFCEM-VZKFJVGXSA-N 444.947 5.494 10 40 IKCB CCc1ccc(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 100161189 NBHFOUJVZWLSCB-SFQUDFHCSA-N 430.455 5.510 10 40 IKCB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)c1 106708029 KJLLGOBTSDYYLB-MTJSOVHGSA-N 433.485 5.498 10 40 IKCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1ccccc1 224480982 HEASEZBLZRPDNX-ZEQRLZLVSA-N 444.991 6.011 10 40 IKCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408757877 RFVQTMLNLXRXIR-UDWIEESQSA-N 439.346 5.910 10 40 IKCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 408760898 ARGZFKMWVLOTDI-PXLXIMEGSA-N 446.348 5.350 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)c(OC)c1 408763716 UJVVKWDYDDKHHL-HYARGMPZSA-N 432.907 5.500 10 40 IKCB CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 409342919 BZSROQQEMXKRRP-HTMJNSLASA-N 446.981 5.064 10 40 IKCB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1Cl 2303823 SNSJXXPQJQPBJT-LFIBNONCSA-N 437.373 5.223 10 40 IKCB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccccc1F 3672740 CWRMBSVULOHESE-XMMPIXPASA-N 436.918 5.473 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 6089561 FDLIDSSHLDAKTN-NEMUNFNQSA-N 431.963 6.411 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1Cc1ccco1 9634101 NXYBYNJSGGLIDE-MFOYZWKCSA-N 446.893 5.503 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 33608529 LMLMJSGRXKFXJS-FPYYEXTBSA-N 449.923 5.008 10 40 IKCB CCN1C(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S 409013309 MVLBPLZKYOETBV-CPNJWEJPSA-N 444.000 5.077 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S 409194825 NDXUXBOWIRGJDU-FYJGNVAPSA-N 438.549 5.360 10 40 IKCB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5cccc(C)c5C)c4C)c(=O)n3c2cc1C 409389615 CFOFEJZQHYKXQD-CFRMEGHHSA-N 427.573 5.098 10 40 IKCB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 3769546 LEFJZDNKFDMCFH-RNEAKCBISA-N 448.407 6.032 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 4107008 OATNGXHGLJJNJV-JLPGSUDCSA-N 444.600 6.628 10 40 IKCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C 14009243 IHTUZFCPPSZNSR-UNOMPAQXSA-N 426.944 5.076 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)SC1=S 33424643 CCQYNTPBTUBJAZ-WQRHYEAKSA-N 448.407 5.558 10 40 IKCB COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Cl)c1OC(C)=O 408742781 PWXFEAAPFVZSJH-VGOFMYFVSA-N 449.684 5.018 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)O)c3C)C2=O)cc1 408983391 BMZYGTURPAALJS-LTGZKZEYSA-N 425.484 5.563 10 40 IKCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 6144589 JYWBBHQMIZZTQG-YZZKKUAISA-N 427.375 6.446 10 40 IKCB CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccc(S(=O)(=O)O)cc1 16737562 DKINSCKCIBUEJU-UHFFFAOYSA-O 430.358 5.020 10 40 IKCB CCCCOc1ccccc1/C=C1\SC(=S)N(c2cc(OC)ccc2OC)C1=O 27563835 OWVRKPODABAQBE-MOSHPQCFSA-N 429.563 5.289 10 40 IKCB Cc1ccc(C(=O)N2N=C3/C(=C/c4ccc(N(C)C)cc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 34798516 XNAPGUVZIOTNMP-PPPBVPAUSA-N 449.598 6.498 10 40 IKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 35088338 ZAUIJVFFDHJHQZ-ODLFYWEKSA-N 448.325 5.134 10 40 IKCB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1 58846598 SBQTYZRSXIGPAG-PPJWLVRDSA-N 430.573 5.931 10 40 IKCB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 224352888 VOWYOMNCXVSCQA-IZZNHLLZSA-N 438.600 5.920 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCCCCC4)cc3)cc2)C1 260588412 JFLJUAYCGRCPBG-GOTSBHOMSA-N 433.640 5.790 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c1C 408960687 NUYRKMXTLLHOBV-IWIPYMOSSA-N 444.600 6.510 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c2ccccc12 409344909 IBAJMJVVWFOKFO-HAHDFKILSA-N 427.550 6.407 10 40 IKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 9188703 UOAYBBJMUVPLAN-MPGAHLTBSA-N 431.582 6.228 10 40 IKCB COc1cc2c(cc1NC(=O)CSc1nc3cc(Cl)ccc3[nH]1)oc1ccccc12 9191545 GQYXWQWDMOWCIU-UHFFFAOYSA-N 437.908 5.855 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1 9293661 IWQHEFPJXYAAQM-SMKDVUIYSA-N 445.592 5.602 10 40 IKCB O=c1c(-c2ccccc2)coc2c(CN(Cc3ccccc3)Cc3ccccc3)c(O)ccc12 54219545 BJCDAVFTHUQPDX-UHFFFAOYSA-N 447.534 6.368 10 40 IKCB biogenic Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1 58845793 YGWGMDYAKJOVTM-PPJWLVRDSA-N 430.573 5.931 10 40 IKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1nc2ccccc2s1 101932037 HLQXXDXFEOAFAB-PZPYUUCDSA-N 432.534 5.603 10 40 IKCB CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O 223516451 PEOVIEIBXKYEOG-RGVLZGJSSA-N 442.581 5.005 10 40 IKCB CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(Cl)cc3)c2C1 2582093 QYUVVEHKLWRYOO-UHFFFAOYSA-N 428.757 6.715 10 40 IKCB CN(C)c1ccc([C@H](N2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1 4575602 UKRLTVSHGLFKQM-FYBSXPHGSA-N 425.557 5.327 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1ccccc1 13548735 DNFAMXLHWDKWLO-WOJGMQOQSA-N 432.353 6.659 10 40 IKCB COc1ccc(N2CCN([C@H](C(=O)c3c(C)[nH]c4ccccc34)c3ccccc3)CC2)cc1 14163167 RUDKSBDRSNXUIJ-MHZLTWQESA-N 439.559 5.231 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1C[C@@H]1CCCO1 40006339 VZVLIVDVAVVAOJ-SCWSXOCZSA-N 445.993 5.299 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222927534 VAQBUQUPGMBHAO-AOYPEHQESA-N 446.664 5.988 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21 260918030 KTCVTZFCZUEMGM-LOSJGSFVSA-N 440.616 5.890 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 408752988 DUULOJOMJDCSNK-RGVLZGJSSA-N 427.262 5.673 10 40 IKCB O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(-c2ccccc2)[nH]c2ccccc12 2382911 YJNDZGRDWIQINH-XSFVSMFZSA-N 441.874 5.359 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 34259325 WHLHVDFHFXSGGG-MJBUPYINSA-N 433.581 5.520 10 40 IKCB O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1ccc(Cl)c(Cl)c1 107818307 YTDGELOLCNKIEB-PXNMLYILSA-N 434.325 5.506 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2OC)cc1 408846412 SISCBULOSHCRMM-LGUFXXKBSA-N 448.522 6.082 10 40 IKCB COC(=O)c1ccc(-n2c(C)cc(-c3csc(NCc4ccccc4OC)n3)c2C)cc1 2647265 KILYTRJNMHYCAH-UHFFFAOYSA-N 447.560 5.625 10 40 IKCB Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 9293243 MXVSINQESPHTPC-BNHNGMILSA-N 439.972 5.331 10 40 IKCB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)o1 9310425 TUONGLLOOGOXQQ-FYJGNVAPSA-N 449.553 5.756 10 40 IKCB Cc1ccccc1Nc1cc(N2C[C@H](C)O[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 13174084 PSJMSPLPTSMBCQ-CALCHBBNSA-N 439.515 5.705 10 40 IKCB Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C 33763233 UYOIJVWWRDXGDK-NKFJNAIASA-N 439.544 5.070 10 40 IKCB CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 59565723 MSGXQIQAJFWBEJ-UHFFFAOYSA-N 442.540 5.224 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc([C@H](C)CC)cc4)c3C)C(=O)N=C2S1 71328735 XPLBCQXZVHGDCB-XNJRNFBTSA-N 433.581 5.637 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(OCc4ccccc4)c3)cc2)C1 260577826 MZRZLTGBYHJCPF-FCHUYYIVSA-N 428.576 5.993 10 40 IKCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 409060317 PSPYHFHMDUBTHZ-JAIQZWGSSA-N 426.944 5.137 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)SC2=S)cc1C 409328490 WJAFNJMZKYNIAK-MTJSOVHGSA-N 449.553 5.976 10 40 IKCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc3ccccc23)C1=O 8819319 DIAWQGUSQFAGLX-QNGOZBTKSA-N 448.569 5.078 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)c1ccccc1 9296541 KHUNKFHVMMRFLO-CSUZIONRSA-N 447.581 6.241 10 40 IKCB O=C(c1ccccc1)c1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 18191789 MZVQOXXOYMREOO-QNEJGDQOSA-N 428.495 7.390 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(CN(C3CCCCC3)C3CCCCC3)C2=O)cc1 59475378 ZFZIHIWGEFJGMT-JWGURIENSA-N 444.666 5.821 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C 222870678 GRVUQCXBCDRMRR-FTJBHMTQSA-N 440.616 6.025 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(F)cc1 225015336 VSKZGSZGNAQOTG-BJKOFHAPSA-N 434.584 5.543 10 40 IKCB O=C(O)c1ccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1 408902159 LBNQZHATJOEXLN-KGENOOAVSA-N 447.537 5.370 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 408940086 NMSDOTWGKLCYLK-KOEQRZSOSA-N 436.486 6.364 10 40 IKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(N2CCOCC2)cc1 408984462 HKGSAPLNISYYON-RELWKKBWSA-N 442.946 5.648 10 40 IKCB O=C(Cc1nc2cc(Cl)c(Cl)cc2nc1CC(=O)c1ccccc1)c1ccccc1 1588940 DVCNQNJAFYASSQ-UHFFFAOYSA-N 435.310 5.787 10 40 IKCB O=c1c(Oc2ccccc2Br)coc2c(CN3CCCCC3)c(O)ccc12 2329055 AOJDAGXTMQZHBE-UHFFFAOYSA-N 430.298 5.039 10 40 IKCB CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)c2ccc(F)cc2)cc1 6135997 TWIQUWWAAPTXNZ-HHHXNRCGSA-N 437.518 6.036 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1 27549218 UVQWXCPFSYQVFN-ULZKCLHWSA-N 430.892 5.548 10 40 IKCB CS(=O)(=O)c1ccc(Nc2ccc(NCc3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 58018413 UWIRNZMDEJRMHM-UHFFFAOYSA-N 431.901 5.007 10 40 IKCB COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1 58848688 YKCCKAPVPQWAKC-SGIRGMQISA-N 432.545 5.323 10 40 IKCB Cc1cc(-c2cnc(C(C)(C)C)nc2C2CCN(Cc3ccc(N(C)C)cc3)CC2)on1 257216908 CWQHEKNSMPDYIL-UHFFFAOYSA-N 433.600 5.183 10 40 IKCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 260562595 AQKWCWFQPQEVOC-AQRZYSDFSA-N 447.604 5.019 10 40 IKCB CC(C)CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC1=S 409033180 NJANWIGTHHBKBU-UCQKPKSFSA-N 433.598 6.276 10 40 IKCB Cc1cccc(COc2ccc3ccccc3c2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 34697547 ARULUGLKLNZFEJ-UQQQWYQISA-N 434.495 5.189 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 408770564 ZASIAYHNUBALQR-UQQQWYQISA-N 439.511 5.451 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(OC)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21 409155798 CSZCQBFHUXZGDM-QHRIQVFBSA-N 431.286 5.201 10 40 IKCB CCOc1ccc(C=C2C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc(C)c3)C2=O)cc1 2532804 ILSYIYXOQRXJNH-UHFFFAOYSA-N 440.499 5.286 10 40 IKCB O=C1/C(=C\C=C2/SCCN2CCc2ccccc2)SC(=S)N1Cc1ccccc1 16101954 SVZCSMQWWFAMHS-PXQYURKDSA-N 438.643 5.064 10 40 IKCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17102623 IAMZLDQRPKNXTE-QJOMJCCJSA-N 438.556 5.996 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 33541116 VWYSDYYSBXPXTB-FTNSYOLJSA-N 433.581 5.602 10 40 IKCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223058251 KYFXBLBAPWNTFU-JWQCQUIFSA-N 448.636 5.115 10 40 IKCB Cc1cc(CN(C(=O)c2ccc3sc(Cl)nc3c2)C(C)C)c(C)n1-c1ccccc1 225982477 XRNSWTOGGIORBK-UHFFFAOYSA-N 437.996 6.408 10 40 IKCB Cc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c(C)n1-c1ccc2ccccc2c1 408806744 BPGWOHBLLGXBEP-UHFFFAOYSA-N 442.539 6.149 10 40 IKCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc2ccccc12 408877503 RYLJNMNIJKLMIH-KOEQRZSOSA-N 448.478 5.085 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(SC)cc1 408894980 SOTOPMHDHMKSLZ-PDGQHHTCSA-N 444.350 5.048 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)SC2=S)cc1 409054782 NWOHPCSOPPSKQM-UCQKPKSFSA-N 432.614 6.112 10 40 IKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O 409160286 FZLLFLXGUXFHTI-OSUGJSQMSA-N 428.966 5.141 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)o2)cc1 409197811 PKJDGKRUGUZZIZ-PDGQHHTCSA-N 426.588 5.695 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 409230384 CPWPWKRJMCCJJE-PXLXIMEGSA-N 444.556 5.193 10 40 IKCB O=C1OC(c2ccccc2)=C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 7017910 JFSYPSPMHWJWSS-GXDHUFHOSA-N 438.233 5.599 10 40 IKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/Nc2cc(C(F)(F)F)ccc2Cl)SC1=S 8836373 FWLGQXSWIBRJBJ-FFCYNSPCSA-N 442.915 6.234 10 40 IKCB Cc1cccc(Cn2cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N=C3O)c3ccccc32)c1 13688198 BUMBYJCOZZWGBZ-HAHDFKILSA-N 435.483 5.505 10 40 IKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1cc(Cl)ccc1O 13882023 OGAVFBWFZPSFGJ-XFFZJAGNSA-N 431.106 5.724 10 40 IKCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1 112296361 HKYIMPQHDRXWOZ-KQWNVCNZSA-N 444.516 5.855 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 225665471 VCRXJEYRNKMNKH-GOSISDBHSA-N 425.598 5.210 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 225670404 SEXKHRIJQHLVIZ-MJGOQNOKSA-N 439.625 5.456 10 40 IKCB COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)o1 409204311 FCDUELVYYFKYDK-YBFXNURJSA-N 444.965 5.564 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC 409333744 VLQFAVOFVMCHCQ-KELUXRKGSA-N 429.563 5.287 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 409346847 OJFGLNYMZWKBOT-FDIDITGRSA-N 446.981 5.064 10 40 IKCB CC1(C)CC(=O)c2cc(-c3cccc(Br)c3)n(-c3cccc([N+](=O)[O-])c3)c2C1 2512863 FTVHANYCMJABLG-UHFFFAOYSA-N 439.309 5.970 10 40 IKCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1Cl 8843399 NWWJQBAONRGTMC-UHFFFAOYSA-N 441.940 5.314 10 40 IKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 12032573 ZOVUVKSMTVZVFP-HMMYKYKNSA-N 444.622 5.965 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3cccc(C)c3)C2=O)cc1 13688641 CXUKZOZNGRYCOE-VKINRBECSA-N 441.531 5.025 10 40 IKCB COc1ccccc1OCCn1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c2ccccc21 20059489 NCFSWZTYLBRCGD-KGENOOAVSA-N 444.918 5.875 10 40 IKCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccccc4)o3)C(=N)N21 32974143 BGLWIDJXYSAIMA-SRRKIXIOSA-N 442.591 5.290 10 40 IKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1 112290292 HSWDJSKDPLIDCK-XHPQRKPJSA-N 425.532 6.251 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cccc4C)c3C)N21 222701135 QSCSLAKOKQHGPC-GRYUFTJMSA-N 430.621 6.085 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1 223458051 POESCYLHAQPPMQ-JWQCQUIFSA-N 439.588 5.057 10 40 IKCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O 260572373 UZDNCHARNPYWDT-WKVLGULQSA-N 444.597 5.093 10 40 IKCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408901418 FBYZTNLYJDPPAL-FYJGNVAPSA-N 448.569 5.507 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 409100068 UQXLBOMLRWGMAT-OEAKJJBVSA-N 447.966 6.142 10 40 IKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1cccc(Br)c1 409158409 RDLYDDVULIKKJK-CPNJWEJPSA-N 443.366 5.286 10 40 IKCB O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1cccc(F)c1 409347399 PTBWZMLDECOUKU-OMCISZLKSA-N 433.327 5.475 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] 409348556 OPAPZUDLGWYDFB-CHHVJCJISA-N 441.317 5.316 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S 1411625 LKUVBJAPCRKFNH-ZDLGFXPLSA-N 432.929 5.695 10 40 IKCB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 5947735 NLHGKCFXQALGEI-MHWRWJLKSA-N 442.302 5.318 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Cl)c1OC(C)C 8456110 HIMJRSYUEJUCBI-ZDLGFXPLSA-N 442.899 5.030 10 40 IKCB Cc1ccc(-n2nnc3c4c(c(Nc5ccccc5)cc32)C(=O)c2ccccc2C4=O)cc1 9046441 HUPYLIWFOFXAEC-UHFFFAOYSA-N 430.467 5.248 10 40 IKCB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)o2)cc1OC 9982132 ACFMGYOSEIFWKQ-UHFFFAOYSA-N 449.532 5.136 10 40 IKCB CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 13601379 GJJCCABKDVQQRZ-PGMHBOJBSA-N 429.903 5.988 10 40 IKCB Cc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 14153073 ODHSQBQXGKTSEJ-UHFFFAOYSA-N 430.426 5.138 10 40 IKCB S=C(/N=N\c1ccccc1Oc1ccccc1)NNc1ccccc1Oc1ccccc1 17379546 AYRQKQYHAGQLKD-OHYPFYFLSA-N 440.528 7.257 10 40 IKCB CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 112296401 UGTCVXMMGNGDMB-ULJHMMPZSA-N 445.494 5.370 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c(C)c1 222619202 BQPFSGQKXIVOGC-DNVKUUNQSA-N 430.621 6.004 10 40 IKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1-c1ccccc1 224621891 YCXMRMOPGVBIKO-BJKOFHAPSA-N 426.545 5.063 10 40 IKCB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408901003 BLUQCRHYARCAIB-HTMJNSLASA-N 433.982 5.932 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)C(=O)NC2=S)c1C 409124875 LCYYLKPNHVEMJT-KGENOOAVSA-N 444.556 5.075 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 409245718 YCYVXEIQSCXTJM-NDENLUEZSA-N 426.303 5.498 10 40 IKCB CCCCOc1ccc(N2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1 2120829 XWUPMXCMJIJEAD-UHFFFAOYSA-N 441.527 6.304 10 40 IKCB biogenic CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 9159131 KWYHEUOOCDTJBL-OMYHDSEFSA-N 447.608 5.910 10 40 IKCB O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1c(Cl)cccc1Cl 9223662 RULQRVYVMVHPQD-UHFFFAOYSA-N 441.317 5.771 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 33757021 QZHCVWJAKJCWDZ-FTNSYOLJSA-N 449.580 5.302 10 40 IKCB Cc1ccc(Cn2cc(/C=C3/C(=O)N(c4cccc(C)c4)C(=O)N=C3O)c3ccccc32)cc1 34389260 SMYSETRPMONZDZ-BUVRLJJBSA-N 449.510 5.813 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)N=C(O)N(c4cccc(C)c4C)C3=O)o2)cc1 59137975 QSKCXQRDWWWQDQ-CPNJWEJPSA-N 432.501 5.227 10 40 IKCB Clc1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 101166951 DACBWLIZQKHTQJ-BWACUDIHSA-N 442.127 6.425 10 40 IKCB CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2nc(Cl)n(C)c2c1 222564534 UOZNYPQWQBKICJ-UHFFFAOYSA-N 448.998 6.077 10 40 IKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C 408758342 YEDWDKNTHFGXGM-WGOQTCKBSA-N 434.543 6.065 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409019706 WLSSJKOZALKZDW-UYRXBGFRSA-N 439.939 5.523 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1c(F)cccc1Cl 409023322 JINPOHKRZARZKC-UVTDQMKNSA-N 436.266 5.018 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 409136197 XSBIXHVGSXEPSB-BKUYFWCQSA-N 428.985 6.364 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(Cl)c1 409150342 BDQQUFBMCSMPRS-WZOHSFFVSA-N 438.423 8.112 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c(OC)c1 9188824 HMFLWFIQDNLHTJ-HMAPJEAMSA-N 449.553 5.902 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 13302737 SMQNSIZHFWMJTC-ZHZULCJRSA-N 448.276 5.192 10 40 IKCB Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 13616584 IKGQRFWXNVPSIE-JXFKEZNVSA-N 427.323 5.459 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12 408904143 FLFWNXPUSZKQFL-NLRVBDNBSA-N 432.523 6.533 10 40 IKCB CC[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 409009850 AAONTRWJPNPEED-OTWJJXBCSA-N 433.371 5.691 10 40 IKCB Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc2n1C 409332785 RUIQLOHZVNIETB-VCHYOVAHSA-N 433.385 6.199 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)c(OCC)c3)C(=O)N=C2S1 8453023 VRPRMNSCIAVPIC-OQYABBNDSA-N 448.548 5.084 10 40 IKCB Oc1c([C@H](c2ccccn2)N2CCN(c3ccccc3F)CC2)cc(Cl)c2cccnc12 20192794 SCQQYALPWAEOLD-XMMPIXPASA-N 448.929 5.040 10 40 IKCB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2O)n2c(nc3ccccc32)N1 20797494 ZFCRPRQPBJUIBE-JOCHJYFZSA-N 430.895 5.323 10 40 IKCB N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(c3cccs3)=NN12 41077896 RJVCOTRGDDOOGN-YMGOLSLPSA-N 442.591 5.433 10 40 IKCB CN(C)c1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br 408743725 UPQBSLLINOIZKS-NTEUORMPSA-N 449.142 5.259 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc([N+](=O)[O-])cc3C)C2=O)cc1 408756711 SPTJCDGDXQLKOD-RGEXLXHISA-N 446.890 6.037 10 40 IKCB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 409332377 QWGRDQSPGIEOPL-BKUYFWCQSA-N 439.989 6.686 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(C)cc3)c(OC)c2)SC1=S 2852078 DYFRNGCRAVRXOE-QNGOZBTKSA-N 443.590 5.073 10 40 IKCB CCCCCN(CCCCC)CCCCCCCCCN1CCCc2cc(OC)ccc21 4366777 RBWTTYQDIGYHDE-UHFFFAOYSA-N 444.748 7.861 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 9260743 AJDDANDQSWYCMI-IWIPYMOSSA-N 425.919 6.149 10 40 IKCB CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 9291269 QFCVFDOCAVYLIF-NCNWTYLVSA-N 433.581 5.684 10 40 IKCB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1ccc(Cl)cc1 14922770 YNBVHOYGMAAXCA-OVCLIPMQSA-N 429.781 5.918 10 40 IKCB Cc1ccc(-c2csc(Nc3ccccc3)[n+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 15906844 MEESALJQUCAWEM-HSZRJFAPSA-O 432.525 5.396 10 40 IKCB O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(NC(=O)c2ccccc2Cl)c1 36309025 DZWWGYGJSYSNMN-RGEXLXHISA-N 425.941 5.049 10 40 IKCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 96193291 NOYNUMKZKWWYOD-MOSHPQCFSA-N 446.890 5.423 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222619857 JLYLNPTXAPLXNM-FNVCAUGXSA-N 437.012 6.040 10 40 IKCB Clc1cccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@@H]32)c1Cl 230389490 RPFZUFVCTNLFBZ-VGTOOOLASA-N 442.127 6.425 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 409132524 YKRHJVGCTMSBTH-PXLXIMEGSA-N 447.512 5.622 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S 409207539 WGABRUPLXRMUJF-BKUYFWCQSA-N 438.549 5.360 10 40 IKCB CC(C)n1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 409338037 BWXZFZZUMSFYRL-OCKHKDLRSA-N 447.412 6.935 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)c1 409394266 XYJORPQECILTFE-CFRMEGHHSA-N 427.573 5.098 10 40 IKCB Cc1c(O)c(CN(C)C[C@@H]2CCCN3CCCC[C@@H]23)cc2c(-c3ccccc3)cc(=O)oc12 1565520469 SKGJXNFIFMTYGG-OFVILXPXSA-N 446.591 5.170 10 40 IKCB biogenic CN(c1ccccc1)N1C(=O)C(=C(c2ccccc2)c2ccccc2)C2=C1c1ccccc1C2 2077815 OTQVWVLMCYTNMH-UHFFFAOYSA-N 440.546 6.350 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cc(Cl)ccc3OC)C2=O)cc1 2120012 MFNBAWVRUAVIDN-UDWIEESQSA-N 445.972 5.301 10 40 IKCB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OCc2ccccc2)cc1)CO3 2120734 OJOTVOFYXCBYGL-UHFFFAOYSA-N 441.527 5.989 10 40 IKCB biogenic CN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(C(C)(C)C)cc2)SC1=S 2962403 MRXSMCXAPSCRGH-HKWRFOASSA-N 427.591 5.273 10 40 IKCB Cc1cccc(Nc2cc(N3CCCC(C)(C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 8969154 BJJBNRAQMINIST-UHFFFAOYSA-N 437.543 6.718 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409129130 IVCJTXWESYLFAX-SSDVNMTOSA-N 438.549 5.439 10 40 IKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c2ccccc21 409197423 FBXMHUJKQURIDI-JJIBRWJFSA-N 442.946 6.281 10 40 IKCB CCCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S 409328890 BWAQTEWHNYDXPU-KEBDBYFISA-N 444.984 6.093 10 40 IKCB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl 409339005 DBFSEDNXHIQEBB-NSIKDUERSA-N 427.290 5.013 10 40 IKCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 409339316 HEKITGWSBBPRNQ-MKMNVTDBSA-N 445.736 5.961 10 40 IKCB CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1 9193122 KOSOUIMHJOUMRJ-RTTMPKPESA-N 447.608 5.883 10 40 IKCB CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C 13141974 QIBIDYKLZCEQEZ-UHFFFAOYSA-N 426.516 5.553 10 40 IKCB Nc1ccc(/N=[N+](\[O-])c2ccc(/N=N/c3ccc(/N=N/c4ccc(N)cc4)cc3)cc2)cc1 13403563 VZUJZZLOFGSASY-BMTVGCIASA-N 436.479 7.608 10 40 IKCB CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc2c1=O 19793158 JJIRJVSUANUCTC-UHFFFAOYSA-N 449.425 5.304 10 40 IKCB biogenic CCOc1ccc(/N=N\c2c(-c3ccccc3)nn(C(N)=S)c2-c2ccccc2)cc1 104115309 KDKWRQQOSDIUGF-RQZHXJHFSA-N 427.533 6.123 10 40 IKCB CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1263745 NZQSWCGMJPSIJA-ICWNOLGCSA-N 436.602 5.425 10 40 IKCB O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccccc1 2262392 SJSXHMILCJLODX-PDGQHHTCSA-N 444.002 6.486 10 40 IKCB COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c1=O 6162688 VSVRCAWGDWSIPT-AWEZNQCLSA-N 447.453 5.425 10 40 IKCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 8821808 KLZRSWNMCAQLGX-UDWIEESQSA-N 437.908 5.641 10 40 IKCB Cc1ccc(N(c2ccc(C)cc2)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)s2)cc1 16292606 GLXSWLUBDSPZNJ-OCEACIFDSA-N 428.517 8.158 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)c3ccccc3C2=O)cc1 33039478 KECXKOCXPCGTSL-OVVQPSECSA-N 432.523 6.130 10 40 IKCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 34982599 VJSNDNNFSQMHPR-KGENOOAVSA-N 449.553 5.525 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 35039849 JUMACNHHPLAWID-MOSHPQCFSA-N 436.514 5.823 10 40 IKCB COc1ccc(/N=N\c2ccc3oc(=O)c(C(=O)Nc4ccc(OC)cc4)cc3c2)cc1 104307003 ZZWDRURYLOLTAN-RQZHXJHFSA-N 429.432 5.478 10 40 IKCB O=S(=O)(O)c1ccc2c(/N=N/c3ccc(/N=N\c4ccccc4)cc3)c(O)ccc2c1 104388961 ANKNQAUREHXSDZ-HXEHWPEMSA-N 432.461 6.623 10 40 IKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C 208309566 GIHDTRBFXCZLME-NLKUQUHMSA-N 434.605 6.344 10 40 IKCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 222788512 PIFBDGOOAPETKQ-LOSJGSFVSA-N 447.652 5.328 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)cc21 260922671 RCYQRVNOKPDISO-ZEQRLZLVSA-N 444.604 5.479 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1Br 408738309 JWWZYQLHAWRCFT-XSFVSMFZSA-N 446.344 6.237 10 40 IKCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)cc1OC 408764444 WUKBQMZRHSFWND-KGENOOAVSA-N 432.907 5.500 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1 408771496 HJRJCQQCFOBTIS-RWTNITNYSA-N 437.996 5.910 10 40 IKCB O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 408959767 FOXCMASOSHWLIB-NDENLUEZSA-N 430.335 5.077 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC 409178503 IYBYJYFMYHGVBS-ZDLGFXPLSA-N 437.945 5.682 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(C)C 409334961 YHIUAPRFPUDUJQ-FYJGNVAPSA-N 427.591 5.834 10 40 IKCB CN(C)c1ccc([C@@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1Br 1874490 GEBLKFDINOEXGN-QFIPXVFZSA-N 433.349 5.930 10 40 IKCB Cc1ccc(Nc2cc3c(nnn3-c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1 8856555 ASQSDTVXUSDDHR-UHFFFAOYSA-N 430.467 5.248 10 40 IKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccc(C)cc4C)=NC3=O)cc2)cc1 35644952 XNJUTVSOACWFLQ-BUVRLJJBSA-N 428.557 6.273 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 44853965 YKPVUCYTANCXTD-URXFXBBRSA-N 437.603 5.151 10 40 IKCB COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1 58845719 OLRIQIUFEBAKHK-VVZHRXSXSA-N 446.572 5.631 10 40 IKCB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219338316 FJFNSMZFRYZMRJ-HFZDXXHNSA-N 430.592 6.111 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 408944342 UKGVNOKUXLGBJK-PXLXIMEGSA-N 430.891 5.361 10 40 IKCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 1213435 OYRXVTUFDMASED-MHWRWJLKSA-N 433.678 5.368 10 40 IKCB CCCCCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 3021061 OIAMLFJUPROCEM-UHFFFAOYSA-N 444.487 5.209 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 8780895 LNZNGTZSGXLGGJ-BKUYFWCQSA-N 437.326 6.379 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 9293423 GWHRWETWGPTHDA-QCIUGURRSA-N 433.581 5.376 10 40 IKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1 13880073 RMNXRLLYEAHMNK-HAHDFKILSA-N 446.934 6.124 10 40 IKCB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(-n3c(C)c(C)c4ccccc43)c2)cc1 16779682 YDGZPUDRHSPICV-UHFFFAOYSA-N 440.952 5.716 10 40 IKCB CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc12 19791751 QASQLTTYUJWQMY-UHFFFAOYSA-N 435.442 5.768 10 40 IKCB biogenic O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4F)o3)SC2=S)c1 54360610 CWYKVRQXVADRCS-WQRHYEAKSA-N 425.462 5.190 10 40 IKCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C)cc1C 100525481 NOUCWJVRRIAKEM-FYTMPNSFSA-N 434.481 5.210 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1 223533583 RAIXEFYTPFWZBP-LOSJGSFVSA-N 439.588 5.057 10 40 IKCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c2cccnc12 225672056 XJMKOVXAGKYEIN-QZTJIDSGSA-N 434.609 5.527 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(N(C)C)cc1 260788307 YOXWRAWYOHEFBP-UOKFIYJESA-N 431.609 5.144 10 40 IKCB CC(C)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 408600445 YOGKOAUBGQAMMF-NVMNQCDNSA-N 438.401 6.434 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 409162702 HCNFLJQBWFTNKC-PPJWLVRDSA-N 427.569 6.812 10 40 IKCB O=S(=O)(Nc1nc(-c2sccc2Cl)cs1)c1cc(Cl)ccc1Cl 1403087 XZCBMBTUYMYVPQ-UHFFFAOYSA-N 425.771 5.633 10 40 IKCB aggregator O=S(=O)(Nc1cc(Sc2ccc(Cl)cc2)c(O)c2ccccc12)c1ccccc1 8439324 RKOKSAIBXCGBBL-UHFFFAOYSA-N 441.961 6.151 10 40 IKCB CCN(CC)c1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 12613707 GSYPUKUHEBOLFX-UHFFFAOYSA-N 439.563 5.053 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C=C4C)S2)cc1 208519108 USSKUIJQCFTMAT-IWIPYMOSSA-N 445.632 6.662 10 40 IKCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 408738987 QVTNIVIBPCZQMN-RCCKNPSSSA-N 444.328 6.123 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Br)cc2)cc1 408847951 WBGIIPYJGFCJBD-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)sc2c1CCCC2 409197158 XHZGRKDQWAJKTA-XSFVSMFZSA-N 446.572 5.704 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl 409237676 KUBAACWAPDQMPU-LQELWAHVSA-N 449.359 5.002 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC 409333771 VRLQEYKMROKXFZ-JTMDUIFQSA-N 442.606 5.344 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)c2C)cc1 1306294 GIIFPYPOEZBSON-FYJGNVAPSA-N 433.508 5.213 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 8821591 ZMKLHMTZFUJXEE-ZHZULCJRSA-N 443.590 5.461 10 40 IKCB Cc1cc(C(=O)Cn2c([C@@H](C)O)nc3ccccc32)c(C)n1-c1ccc(F)c(Cl)c1 12535007 RHUUXYNHASZUQW-OAHLLOKOSA-N 425.891 5.173 10 40 IKCB Cc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2O)cc1 13133406 QPBAKFDVZNTOEI-NRFANRHFSA-N 435.321 5.455 10 40 IKCB C/C(Nc1ccc(Cl)c(Cl)c1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 19631146 FVIDOPMGVAPCMW-STZFKDTASA-N 440.305 6.270 10 40 IKCB CCOC(=O)c1cc(N/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)ccc1Cl 101113838 ZBTPHTNWEZSKFG-XSFVSMFZSA-N 433.895 5.388 10 40 IKCB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(C)c1Cl 218713788 DZEORQJEVMHSHC-AHRSYUTCSA-N 429.004 5.838 10 40 IKCB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 223131853 DSVXDUYOGOBLOG-UHFFFAOYSA-N 448.438 5.368 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 408739012 RGVSSNDNASWMEQ-XDJHFCHBSA-N 432.317 5.929 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3C(C)C)C2=O)cc1 408757635 BDDQOYXCXPUFAH-PGMHBOJBSA-N 429.947 6.943 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 408762270 DKWJYKKJPXCZIS-LDADJPATSA-N 443.753 5.999 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC 409333694 VFBOIQCBZHZGAS-RCCKNPSSSA-N 427.591 5.978 10 40 IKCB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)c1 8606729 PFQNHRYYMFBGDS-SLSDLSHTSA-N 434.536 5.761 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C\c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C(=O)N=C2S1 9678709 WSJHTOUFMFALKB-MRDWGVERSA-N 447.347 5.919 10 40 IKCB Oc1c([C@@H](c2ccccn2)N2CCN(c3ccccc3F)CC2)cc(Cl)c2cccnc12 20192797 SCQQYALPWAEOLD-DEOSSOPVSA-N 448.929 5.040 10 40 IKCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(Cl)cccc3Cl)c2C)cc1 25390011 HPCLBSGGRZMMPT-UHFFFAOYSA-N 432.303 5.449 10 40 IKCB CCCCCCNCc1cc(CNCCCCCC)c(O)c(CNCCCCCC)c1 31962037 WDYKRINQZYNKCY-UHFFFAOYSA-N 433.725 6.402 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c(C)c1 208704590 UBURINNNYPIQQH-NDENLUEZSA-N 436.514 5.877 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1 223381804 MCASXGAVHNWGTP-FTJBHMTQSA-N 438.600 5.662 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)CC1 225656417 HNAYGYHWCCTCDO-IBGZPJMESA-N 436.625 5.097 10 40 IKCB COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1Cl 2067847 SRYSAXPLFOQZOX-XDHOZWIPSA-N 427.934 6.014 10 40 IKCB Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 2700549 UOZJDNFHHAQJPJ-RGEXLXHISA-N 444.647 5.765 10 40 IKCB Cc1ccc(SCCNC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 9482217 JTSRCFCVBKYMLN-UHFFFAOYSA-N 441.021 5.958 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c1C 9805500 ZHUCAFDHLXNOHJ-LDADJPATSA-N 436.920 5.048 10 40 IKCB COC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)c(OC)c3)c2c1N 9910446 SSJHOLXREPEIPX-UHFFFAOYSA-N 434.517 5.325 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1Br 14406606 LJKCDEMAFIHYFD-UYRXBGFRSA-N 440.337 5.333 10 40 IKCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 26964672 OOFSRGWYCPKJPE-ITYLOYPMSA-N 448.526 5.744 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 408781307 CAQCLWJPTSEBHB-HKOYGPOVSA-N 438.527 6.717 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 408791437 YVSUMTIJAOTYNK-JLPGSUDCSA-N 426.516 5.280 10 40 IKCB CCOP(=O)(OCC)[C@@H](Nc1ccc(Br)cc1)c1ccc(N(C)C)cc1 3082379 LEVVNWZGUBGJDS-LJQANCHMSA-N 441.306 5.892 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 9188366 AEJBYWUHPNJSIL-KQWNVCNZSA-N 446.597 5.737 10 40 IKCB CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCc4ccccc4)cc3)o2)SC1=S 9310647 GZIVJGCOEVUWNL-DEDYPNTBSA-N 435.526 5.135 10 40 IKCB COc1ccc(C2(Nc3ccc(Br)c(C)c3)C(=O)c3ccccc3C2=O)cc1 9561383 LPCKOXQQQDJEDB-UHFFFAOYSA-N 436.305 5.153 10 40 IKCB CCCCCC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 14921405 ROFZCWQLANYSPI-UHFFFAOYSA-N 440.499 5.233 10 40 IKCB Cc1ccccc1CN1CCC(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)CC1 44854940 KDRJQYKQSNHUPL-GMAHTHKFSA-N 433.640 5.321 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1 106685873 NHDNIEJJNUHMGP-XKZIYDEJSA-N 436.964 6.292 10 40 IKCB O=C(Oc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 408736133 HERIMLPVWIMRCS-MSYCTHLASA-N 436.338 7.039 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(C)n1-c1ccccc1 409348188 RXPOICXHLBJNPR-PXLXIMEGSA-N 433.602 5.566 10 40 IKCB CCCC[C@H](CC)Cc1cc(/C=C2/SC(=S)N(CC)C2=O)sc1Br 1776010990 NXNWZIBAKIEINN-YGRGUWMTSA-N 446.501 6.491 10 40 IKCB O=C(O)c1ccc2c(c1Sc1cc(Cl)ccc1Cl)C(=O)c1ccccc1C2=O 5015100 BQXFDVFPUZLNIZ-UHFFFAOYSA-N 429.280 5.618 10 40 IKCB CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 6599799 GJJCCABKDVQQRZ-LTGZKZEYSA-N 429.903 5.988 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccncc1)N1CCCC1)c(O)c1ccccc12 15441714 WPFPELDJDYOPHN-QHCPKHFHSA-N 430.504 5.357 10 40 IKCB Cc1cc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)ccc1[N+](=O)[O-] 16283191 VGUJZXTYNASYST-UNOMPAQXSA-N 428.535 5.697 10 40 IKCB Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 20033548 YVIFCSCQCFPNQE-OBTVHEKISA-N 444.600 6.239 10 40 IKCB N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 20238812 RTTFCWSGMSFWAP-BPHBXOPHSA-N 433.514 5.469 10 40 IKCB COc1cc([C@@H]2Nc3ccc(C(C)C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 37170957 JHUHTKMYIZBWBN-JLHGSKIFSA-N 428.370 6.416 10 40 IKCB NC(=S)n1nc(-c2ccccc2)c(/N=N/c2ccccc2[N+](=O)[O-])c1-c1ccccc1 104223355 MSPODEORBPMUMC-OCOZRVBESA-N 428.477 5.632 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccn1 224424143 XLSQKEKVKVCYIW-BJKOFHAPSA-N 443.551 5.200 10 40 IKCB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c(Cl)cccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736496 WSAIOIVUAHSSCJ-DPLHUUCSSA-N 432.907 6.654 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 409002446 UVDMZWKYAKAJIP-HAHDFKILSA-N 427.500 5.430 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccccc1F 409131056 JMSGRYJWLSLKSF-XQNSMLJCSA-N 434.536 5.902 10 40 IKCB COc1ccc(OC)c(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCCC3)c1 3066018 VHNRACIDBDJLPL-UHFFFAOYSA-N 440.540 5.648 10 40 IKCB CO[C@H]1O[C@@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@H]1N=[N+]=[N-] 5882353 NBKQFQWEPBVLEY-NMLBUPMWSA-N 438.311 5.146 10 40 IKCB Cc1cc(I)cc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 8435037 TWHFOXCYUSMAFM-FCEWJHQRSA-N 432.261 5.334 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1 9191765 FVLALKIONKCDMQ-RLPJPJOASA-N 427.533 5.277 10 40 IKCB O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc(C(F)(F)F)c1 9296594 KNVWQPGYXKTCNN-PJQLUOCWSA-N 443.855 5.493 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(C)cc3)C2=O)cc1 9427579 OUWSMSPRNUFWFI-VKINRBECSA-N 441.531 5.025 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)N=C2S1 41082923 YKNNFIBLFVDSJR-LSTFGQHYSA-N 445.470 5.161 10 40 IKCB Cc1ccccc1CN1CCC(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)CC1 44853980 NQSOFJNETGRWOY-QHCPKHFHSA-N 433.640 5.321 10 40 IKCB CCOc1cc(C2Nc3cccc4cccc(c34)N2)cc(Br)c1OC(F)F 70453957 RJHFWXQALQYISE-UHFFFAOYSA-N 435.268 6.139 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c1C 96487969 OJZGPYBYDJHDTO-FYJGNVAPSA-N 447.922 5.871 10 40 IKCB CCOc1ccccc1N1C(=O)/C(=C/c2ccc(Br)cc2)C=C1c1ccccc1 408739263 UVBROUOCTSQWTN-CAPFRKAQSA-N 446.344 6.319 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)S2)cc1 408789183 KMSKHJAAOJBVNH-GTWFGUSFSA-N 431.605 5.819 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 408839874 BBTXILWGLLPYQZ-LDADJPATSA-N 427.298 5.484 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C 409010254 BHFIRYDTYNHNFT-JLPGSUDCSA-N 446.591 5.716 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21 409164090 CIFHJEVVJRQFEQ-FHSNZYRGSA-N 435.705 5.846 10 40 IKCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1C1CCCCC1 409244649 GUUCQMLXDPEGTE-QGOAFFKASA-N 441.984 5.095 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1C 409333732 VKKLMIUMVMFGGC-MOSHPQCFSA-N 435.530 5.408 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(C)C 409339667 KGUIFWUPBRSMDP-FYJGNVAPSA-N 443.590 5.535 10 40 IKCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 2258365 MOPZKPQQXSWQRZ-QNGOZBTKSA-N 449.601 5.549 10 40 IKCB Cc1cc2c(c(-c3cc(C)cc4c3C(=O)c3ccccc3C4=O)c1)C(=O)c1ccccc1C2=O 3845298 BVGXAGGOBKDDJH-UHFFFAOYSA-N 442.470 5.521 10 40 IKCB biogenic CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 9232860 SIRDTERPHMCGGX-RGVLZGJSSA-N 443.546 5.009 10 40 IKCB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 15947824 SMQKGHAPEDXRRK-WHEQGISXSA-N 438.980 6.252 10 40 IKCB O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccccc1 33345241 JZPBETXWKQJPAE-OEAKJJBVSA-N 444.556 6.235 10 40 IKCB Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1 58845672 OPQVRUICMNOZRD-XXAUWVGASA-N 444.600 6.239 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4C)c3C)N21 222700521 UHOYKPULZNYVTL-DCEDVJGZSA-N 430.621 6.085 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)c1 409207875 BVKNBCAEDILBIW-OQLLNIDSSA-N 435.324 5.072 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)cc1 1296693 ZMNVFZSDSAWDOO-PDGQHHTCSA-N 438.892 5.899 10 40 IKCB Cc1cc(C(=O)CSc2nnc(C(C)C)o2)c(C)n1-c1ccc(Br)cc1 9221354 UUOJZDWSSBJYFP-UHFFFAOYSA-N 434.359 5.338 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1 13801257 QJIVTILTQDXALV-AQTBWJFISA-N 430.982 5.269 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C1CCCCC1 26687039 XCDIOPMBNVFORS-WQRHYEAKSA-N 438.401 6.787 10 40 IKCB O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1Cc1ccco1 27905056 RHBSDKBPKDCYBQ-QNGOZBTKSA-N 437.542 5.139 10 40 IKCB Cc1ccc(COc2cccc(/C=C3/SC(Nc4ccccc4C(=O)O)=NC3=O)c2)cc1 35042646 DTFWEQBXUCBVKJ-HYARGMPZSA-N 444.512 5.355 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1C 225018471 COLWLRWQWTZKMQ-UIOOFZCWSA-N 444.648 6.021 10 40 IKCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cccc2ccccc12 408535476 YLVNSZCEHLFCSZ-UYRXBGFRSA-N 434.337 5.938 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N(c2ccccc2)C1=S 409016436 IUDAGUBEHDAWHW-CAPFRKAQSA-N 448.569 5.385 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409058379 OEEZAPAXQVGOAP-IWIPYMOSSA-N 444.506 5.419 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 409155349 PNTQJFVRXWSMLW-XNJGSVPQSA-N 428.679 6.948 10 40 IKCB O=C1NC(=S)SC1=CC1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 2049286360 SRJBWPHRVUAJIX-QFIPXVFZSA-N 427.550 5.654 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OC(C)C 8396128 OQLKUKFOILDKOQ-VCHYOVAHSA-N 429.314 5.051 10 40 IKCB CCCCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)cc1 8722502 AFTNTXWVUHNCCI-QJOMJCCJSA-N 428.488 5.710 10 40 IKCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 8818989 ABIROKYSYCPCRT-GULXKOIASA-N 441.452 5.030 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1Cl 9232744 FPGUXLPKWAUZRN-NSIKDUERSA-N 446.764 5.767 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c(C)c1 9311229 LWCSAZNNKXZKQO-RCCKNPSSSA-N 430.345 6.537 10 40 IKCB CCOc1cc(Cl)c(Cl)c([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O 15947811 GDAVIIMNADPHBO-QPFGOUBPSA-N 427.353 5.713 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)N1CCOCC1)c(O)c1ccccc12 21539884 CYCUGYXZROHKEM-XMMPIXPASA-N 445.515 5.198 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)nc1 223105481 YINWOIPFROXWKK-DQEYMECFSA-N 445.636 5.498 10 40 IKCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 408850759 DVHLPYKQHIZMFV-RMKNXTFCSA-N 446.142 5.132 10 40 IKCB COc1cc(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 408865903 FGTSNNVWZNSTBU-UHFFFAOYSA-N 448.931 5.097 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 409231716 LQMFVGWNLBIVLV-FOWTUZBSSA-N 438.892 5.059 10 40 IKCB COc1ccc(Nc2cc(N3CCC[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2304832 ILNHINHSHYTKDZ-INIZCTEOSA-N 439.515 6.028 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(O)=NC2=S)cc1 2307008 VRIBSSWNDBTGRO-HZHRSRAPSA-N 443.572 5.637 10 40 IKCB Cc1cccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)c1 214557715 ZLLJFGNHMYRODD-LPYMAVHISA-N 446.528 5.337 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(C)c3Cl)N21 260778172 RIMUFWNIKJTAIM-HVETUWLQSA-N 427.017 5.623 10 40 IKCB Cc1ccc(C)c(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 408722430 UDAMHIVJUFCYEK-LICLKQGHSA-N 433.396 5.337 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(Cl)cc2)cc1 408756153 UEWZQWPBNYNFSY-PXLXIMEGSA-N 447.878 5.481 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 408764562 XMGMGKOPVXAAHC-CPNJWEJPSA-N 448.906 6.234 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2Cl)cc1 408766935 XDYATWMYEDFELV-CJLVFECKSA-N 432.907 5.582 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1O[C@@H](C)CC 409334155 UODNWIXCGDIKAM-GQFJFNLSSA-N 431.554 5.808 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 2066667 DFRPLFMHFXLPKG-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 3768151 SSRTYUWOWSPNHH-LDADJPATSA-N 436.524 5.957 10 40 IKCB O=C1c2ccccc2C(=O)c2cc(OC[C@@H](O)Cn3c4ccccc4c4ccccc43)ccc21 8837588 IZDSLYODJHQCAB-SFHVURJKSA-N 447.490 5.010 10 40 IKCB Cc1ccc(C)n1-c1ccsc1-c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 8888387 UJKOANSDHYPCSO-UHFFFAOYSA-N 428.439 6.144 10 40 IKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)cc1 16031573 CDRPREWFAAIKMU-DFZDUAMZSA-N 436.596 5.050 10 40 IKCB biogenic,in-vitro C/C(Nc1ccc(C)cc1C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17094840 GFADMLGLFPHMOC-NKFKGCMQSA-N 426.476 5.349 10 40 IKCB CCOc1ccc(-n2cccc2/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1 20210189 UTRTXVORTQLLOX-ZHZULCJRSA-N 435.867 5.036 10 40 IKCB Cc1ccccc1N1C(=O)C(=Cc2ccc(Cl)cc2)C(=O)N(c2ccccc2C)C1=O 59391272 RIYPQICEYYAGCV-UHFFFAOYSA-N 430.891 5.540 10 40 IKCB Cc1ccccc1/N=N\c1ccc(/N=N\c2cc(CN(C)C)c(O)c3ncccc23)c(C)c1 104226066 CGFQDCNEANTKJL-BFWJDIMNSA-N 438.535 7.450 10 40 IKCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 208257377 WMCXJBKASAJDKT-SYZMQFJCSA-N 440.996 6.299 10 40 IKCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C 208316517 DJQCCOBADJINPY-SDLXJUDFSA-N 445.563 5.082 10 40 IKCB O=C(OCc1ccccc1)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408976539 RKJBYXVSIKCECK-UHFFFAOYSA-N 430.463 6.805 10 40 IKCB O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 6444769 JMZLFTVBMPZFSD-ZFMNYDKASA-N 445.946 5.533 10 40 IKCB CCc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C1=O 59137945 MEBKUVRNFCRBSX-XMHGGMMESA-N 432.501 5.808 10 40 IKCB COc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)ccc1OCc1ccccc1Cl 96669667 NBTNXZOVDNDXIH-FYJGNVAPSA-N 442.968 5.430 10 40 IKCB CCN(CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)cc1 225733602 YPGURNPUZLBVQD-UHFFFAOYSA-N 429.939 5.870 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 408773837 SXXBYTWEWXUCAL-UQQQWYQISA-N 440.543 5.670 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(/N=N/c4ccccc4)ccc3O)S2)cc1 408775363 POVMNQZUEBBPCM-MWRSTHINSA-N 430.533 5.970 10 40 IKCB CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409082170 RISDYOWPVURHDK-PGMHBOJBSA-N 447.332 5.682 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 409200483 HODDKJFEXABEEL-YBFXNURJSA-N 439.518 5.119 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 409348276 RVDXLPMIKNGLFF-ODLFYWEKSA-N 449.428 6.308 10 40 IKCB O=C1c2ccccc2-c2ccc(-c3nc(-c4ccc(O)c(O)c4)[nH]c3-c3ccccc3)cc21 827349 JQCQZMHCZNUUDM-UHFFFAOYSA-N 430.463 6.033 10 40 IKCB O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(F)cc1 8974628 LMZNFBQQYGTXBX-HMAPJEAMSA-N 439.446 5.335 10 40 IKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 18173632 MRESIZYIMNGHKT-MIZPHKNDSA-N 430.891 6.306 10 40 IKCB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(N(C)C)cc2)cc1 19325735 XFXOUGQYXWAHCL-UHFFFAOYSA-N 445.607 5.177 10 40 IKCB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1 224320460 XAFDEBNAFKUTBO-UIOOFZCWSA-N 438.600 5.975 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)N21 260752988 AMZQPMQIVMEBCH-NGXZDTIWSA-N 445.636 5.535 10 40 IKCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 408736069 CVZLDBVFGNXGKX-CZSZKKDXSA-N 432.907 6.654 10 40 IKCB CC(C)c1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 408986213 OSFOZBFKFFISJW-XSFVSMFZSA-N 434.366 7.588 10 40 IKCB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)c1 2617108 DUOMLXIUWPKPLL-UHFFFAOYSA-N 427.447 5.352 10 40 IKCB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(C)cc1 3672723 XVEQCUIDZBYRBT-RUZDIDTESA-N 432.955 5.642 10 40 IKCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 8821413 XUKGNXYFJMFDNT-VUVCFOEZSA-N 435.954 5.445 10 40 IKCB CC(=O)c1ccc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)o2)cc1 9716719 WIEMESLDSBPTHD-XMMPIXPASA-N 446.547 5.037 10 40 IKCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 12285100 RGCNFVKVCMYSGA-AUWJEWJLSA-N 445.190 6.162 10 40 IKCB O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccc(F)cc1 16479703 CNHWUVNKDWPWDR-STZFKDTASA-N 449.528 5.446 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N=C2S1 33149730 WVMGNSSNIFMHAO-BTHBKKPGSA-N 447.347 6.063 10 40 IKCB CCOc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Cl 34868947 JBUAFPJCXAOMCH-DHDCSXOGSA-N 427.740 6.128 10 40 IKCB CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2/N=N/c2ccc(N(C)C)cc2)cc1 101848123 NBXBJBNGEGNGRQ-BYYHNAKLSA-N 444.491 5.166 10 40 IKCB C/C(NCCSc1ccc(C)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112296292 NLCJNIKSACVNMO-CLCOLTQESA-N 445.563 5.541 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCc1ccc(Cl)cc1Cl 113830730 XDIDKISDOCNNQO-CAOOACKPSA-N 440.373 5.412 10 40 IKCB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219338379 FJFNSMZFRYZMRJ-LVXARBLLSA-N 430.592 6.111 10 40 IKCB CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223540709 QDZVGQAJGZDBJU-JHDSZEHQSA-N 437.971 5.545 10 40 IKCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408901005 BLUQCRHYARCAIB-RNEAKCBISA-N 433.982 5.932 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 408943896 SQYWHUJCKSCXAQ-HYARGMPZSA-N 444.918 5.669 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)SC2=S)cc1C 409338511 LDQAHBPYVPQCNY-OEAKJJBVSA-N 433.598 6.650 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1Cl 2250063 KDGQNPJODBJKLQ-UCQKPKSFSA-N 445.996 7.361 10 40 IKCB CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC 6481163 GXTFHJOBWUVDER-GZTJUZNOSA-N 433.335 5.987 10 40 IKCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(C)cc2C)cc1 19634207 DSJCNLNQARKDCV-PLRJNAJWSA-N 441.531 5.458 10 40 IKCB CCCn1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)c2ccccc21 33332460 OFCITAFDQQXRNO-WQRHYEAKSA-N 441.409 5.577 10 40 IKCB N=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12 41076360 DOBSIBJHIHOUON-DHKQOHTGSA-N 437.956 5.330 10 40 IKCB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1 58846610 JWYCCYDVQODQNK-PPJWLVRDSA-N 448.563 6.070 10 40 IKCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1 59138763 DTTGKFYXARNFBR-KOEQRZSOSA-N 449.510 5.256 10 40 IKCB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O 59138863 LNSSLNGWWIQFRM-VBKFSLOCSA-N 441.270 5.262 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)cc1 96505095 BSTRVTFSGIEFPG-XQNSMLJCSA-N 447.581 6.070 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222969123 HEZAGMQBZNXQLH-DQEYMECFSA-N 432.637 5.879 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408987802 YJCKAKAYJFXKEJ-GNFOSXPUSA-N 448.393 7.978 10 40 IKCB O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(Nc4ccc(Cl)cc4)c1c23 2063825 VKZOUSGIRHKNEF-UHFFFAOYSA-N 429.907 6.427 10 40 IKCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 2276791 HNIZZXVYVLSUHU-SFQUDFHCSA-N 435.954 5.446 10 40 IKCB CN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(C(C)(C)C)cc3)cc2)SC1=S 12381734 WQYFDJGKNVTQBF-PGMHBOJBSA-N 441.618 5.663 10 40 IKCB COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC 12469716 UJBJTLCKAAEMCS-MDOVXXIYSA-N 434.761 6.255 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1Br 33682550 ULKUVKIMPBGWDV-RGEXLXHISA-N 448.316 5.480 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1 103918803 JWSRZMGYEUJQRU-UNOMPAQXSA-N 445.375 6.492 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccccc3I)cc2)CC1 218216907 LOINJUASLPQJAA-MRXNPFEDSA-N 448.348 5.019 10 40 IKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225014140 BAPYCIJJVNOYOF-LOSJGSFVSA-N 430.621 5.713 10 40 IKCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)cc1 408756736 SWDZEVCMQBCFBJ-HYARGMPZSA-N 447.332 5.601 10 40 IKCB Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408876577 QCZZFYUDPFYUGA-PCLIKHOPSA-N 438.527 5.177 10 40 IKCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1c2ccccc2Sc2ccccc21 1225052 LWXHCCJRISJBSW-UHFFFAOYSA-N 429.570 6.009 10 40 IKCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 9309249 QIFFTKUBCCRVHI-GNMKNICSSA-N 433.581 5.322 10 40 IKCB COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13639429 QXNZFKVUXOSUBA-KNKQGSTJSA-N 441.369 5.042 10 40 IKCB Cc1ccc(S(=O)(=O)Nc2cc(-n3c(C)c(C)c4ccccc43)c(O)c(C)c2C)cc1 16779651 DMHYMCMOKAIUTM-UHFFFAOYSA-N 434.561 5.679 10 40 IKCB O=C(NCCC(c1ccccc1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 32937673 CDBCUOMMAOSDFG-RUZDIDTESA-N 444.575 5.305 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 33795477 YXYWCBIYPFGFQG-MJBUPYINSA-N 433.581 5.520 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc2ccccc12 58884096 REWLSVRXRFHATM-BKUYFWCQSA-N 448.316 5.480 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208325658 HVKVFBUIKYPYIK-VVRYKASASA-N 436.646 6.513 10 40 IKCB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C 225655645 SBXUAQGEIBXSPH-GOSISDBHSA-N 425.598 5.066 10 40 IKCB O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1 408763422 OFKBMNHOZVYKTN-DEDYPNTBSA-N 437.282 5.526 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c(C)c1 409132746 KRQOXICDMDBPOO-LDADJPATSA-N 436.920 5.048 10 40 IKCB CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S 409142075 LBZIZTQZULLAGV-GRSHGNNSSA-N 430.957 5.703 10 40 IKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 409163947 ACNJSLPWTUHKOZ-VPZZIHKRSA-N 448.744 5.724 10 40 IKCB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1c(O)ccc3ccccc13)CC2 13073393 DKBOUTGJTQJYSO-MUUNZHRXSA-N 425.528 5.710 10 40 IKCB O=C1/C(=C\c2c3ccccc3cc3ccccc23)C(O)=NC(=S)N1c1ccc(F)cc1 17028415 NLQHQJNJOCLDRT-HMAPJEAMSA-N 426.472 5.804 10 40 IKCB Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc(Cl)cc1 83309594 OOJODHPRLUZNNA-RCCKNPSSSA-N 431.963 7.026 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(OC)c4)c3C)N21 222699306 JXKDGJOTPSZTDE-NTUVXCKYSA-N 432.593 5.477 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1OC 408760803 ABGUGBUCLQJTNH-KGENOOAVSA-N 432.907 5.500 10 40 IKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408966425 MRJYVWLPROKGRU-UHFFFAOYSA-N 446.432 7.683 10 40 IKCB Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)c(C)c1 409087007 IHXCWHLDLWFTAW-RGVLZGJSSA-N 440.565 5.007 10 40 IKCB COc1ccc(N2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1OC 2125212 PHGSMMBLFPSXDM-UHFFFAOYSA-N 429.472 5.142 10 40 IKCB biogenic COCCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2280132 XWFNSAWEHPPCQC-YBEGLDIGSA-N 428.362 5.491 10 40 IKCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 8821427 XMVUPQHRMOILMX-ADFUCPMPSA-N 435.954 5.301 10 40 IKCB CCOc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 9805556 KLGBQIWYOLFZAT-MOSHPQCFSA-N 441.961 6.405 10 40 IKCB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025247 ALQFJHQEHCGVAJ-RUZDIDTESA-N 445.563 5.101 10 40 IKCB C/C(Nc1cccc(OC(F)(F)F)c1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17101257 JNKAGHNOWRNRNO-PGMHBOJBSA-N 437.421 5.722 10 40 IKCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc21 409117275 XGFCTEPXXNUCHI-MOSHPQCFSA-N 425.359 6.698 10 40 IKCB S=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(Cl)cc1 642502 SYIOTGPTRFOMQH-UHFFFAOYSA-N 432.940 5.173 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl 225665753 XPKUQFFSYOFVSJ-MRXNPFEDSA-N 446.016 5.555 10 40 IKCB COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2cccc(Br)c2)C1=O 408764000 VLEIGBUTFGRHHY-KGENOOAVSA-N 447.332 5.601 10 40 IKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]21 409151472 HBWBVVMRGGIBOU-SNUQEOBHSA-N 441.234 6.137 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1Br 409339240 GAOTXMGVWHSMSD-BOPFTXTBSA-N 434.380 5.562 10 40 IKCB Cc1ccc([C@H]2C(/C=C3/SC(=S)NC3=O)=C(c3ccccc3)Oc3ccccc32)cc1 2157395 OMSYJNKSEPXPBZ-VKIDYWOHSA-N 441.577 5.962 10 40 IKCB COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2 2755709 KGXLDPOLPLEHKB-IAGOWNOFSA-N 447.597 5.360 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)SC1=S 2959513 LUQBRUXOHVKGPK-YVLHZVERSA-N 437.945 5.288 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3C(F)(F)F)C2=O)cc1 8451297 MAUGBYQSQZVUAG-CPNJWEJPSA-N 449.498 5.658 10 40 IKCB CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1cccc(NC(C)=O)c1 13509941 UCNULASGQGOXGF-UHFFFAOYSA-N 440.544 5.179 10 40 IKCB O=[N+]([O-])c1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 14186279 UPFVOOAXTZUYRN-DPLHUUCSSA-N 432.907 6.654 10 40 IKCB CCCCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 32701789 OXDLJAKZSLXKCC-SAPNQHFASA-N 426.003 5.445 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 34378465 RAWIULFRQLUFJI-JKJUGIAJSA-N 433.581 5.376 10 40 IKCB CC(=O)N(c1nc(/C=C2/SC(Nc3ccccc3)=NC2=O)cs1)c1c(C)cccc1C 96663414 OLJYJAAXEUIPNA-XDHOZWIPSA-N 448.573 5.527 10 40 IKCB CC(C)(C)c1ccc(/C=C2/SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 98002367 WREXTZKTHKPVMN-SFQUDFHCSA-N 425.604 5.822 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 225656352 XOAWCZQXEDYXKC-LJQANCHMSA-N 439.625 5.456 10 40 IKCB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OCC 260579018 ZWGQCLBHOLILTP-LEWJYISDSA-N 438.612 5.530 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Br)cc1 408752390 AHONMARTXYOWPU-KGENOOAVSA-N 435.296 5.731 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)c1 409132913 PHAWZBZMYPIPSS-KOEQRZSOSA-N 444.600 6.380 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1ccccn1 409228385 YENJRSTZKFBOKD-ODLFYWEKSA-N 441.915 5.518 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)SC2=S)cc1 409352626 XXOCUXCEBGJTDV-RGEXLXHISA-N 438.599 5.903 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1 5946020 DLCCSICONYTOCR-UYAJQHSGSA-N 446.363 5.430 10 40 IKCB CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 9310004 KTOXWMUPMZQOEM-CTFRJJSNSA-N 444.578 6.272 10 40 IKCB CCn1c(/N=N/c2c(Nc3ccc(N(C)C)cc3)ccc3ccccc23)nc2ccccc21 9311031 BHGGELNYHXFKCM-NVQSTNCTSA-N 434.547 7.434 10 40 IKCB Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1C 9444630 CFVBYKQYXDCOEA-CPNJWEJPSA-N 445.009 5.577 10 40 IKCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 9659342 SFVRJPWNVAZKMP-UNOMPAQXSA-N 440.377 5.470 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1Cl 100311490 ACPLARRZRGBBHH-KGENOOAVSA-N 432.907 5.734 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)cc21 260755905 CEZFZHAFRFTQNL-UJUVCNOISA-N 439.028 5.956 10 40 IKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 408582577 DJEUACJWEYRENI-PLRJNAJWSA-N 443.543 6.042 10 40 IKCB C[C@@H](C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1)N1C(=O)c2ccccc2C1=O 991754 BQLQFYCPEIZLHS-KRWDZBQOSA-N 436.467 5.255 10 40 IKCB COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1 8454096 IIQKVBNNKZPKIC-PPJWLVRDSA-N 446.572 5.631 10 40 IKCB O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cccc(Br)c1 9232995 VEUDRUFNWDVVOT-RIYZIHGNSA-N 428.735 5.647 10 40 IKCB CC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4cc(Cl)cc(Cl)c4)N=C3C)o2)c1 33334137 IMLXVRWBEDDTIM-CIAFOILYSA-N 439.298 6.262 10 40 IKCB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)C1 102989859 XMSPFAYLTPMLIV-ONKOBVPGSA-N 430.552 5.635 10 40 IKCB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)C1 110565671 XMSPFAYLTPMLIV-WNMPULMQSA-N 430.552 5.635 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(C)ccc4C)c3C)N21 260772261 NFAFOEULHVJDBZ-ZPZUNKDASA-N 430.621 6.085 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1OC 408757953 DZVHXNBICJHMGF-XSFVSMFZSA-N 431.919 6.137 10 40 IKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(Cl)ccc1Cl 408940024 BQQIIQALLGHQDT-UHFFFAOYSA-N 439.136 6.231 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)C(=O)N(c2ccccc2)C1=S 409024454 SVQZQCUQLCYECG-QGOAFFKASA-N 442.968 5.081 10 40 IKCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 409055045 XTPVGNPQCTYIIZ-WQRHYEAKSA-N 448.407 5.558 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)CC 409328360 SVMXVVVVPZHWMW-QAIWHXNASA-N 427.591 5.977 10 40 IKCB Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1-c1ccc(Br)cc1 13133984 FWIOIWULYMZZRI-UHFFFAOYSA-N 448.263 5.175 10 40 IKCB O=C1/C(=C/c2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1ccccc1 27521231 JFCLSYBFZAGWNS-AUWJEWJLSA-N 440.771 5.210 10 40 IKCB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 58848544 NMYYKHKJXOKOLF-PPJWLVRDSA-N 446.572 5.713 10 40 IKCB O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1Cc1ccccc1 113837902 YQGYUKFZOZLHFF-VIZOYTHASA-N 425.318 5.303 10 40 IKCB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408998789 CEHXYBXVLQQRGI-CDXHUHTNSA-N 444.535 6.382 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409228391 YHENKKOORWEWCO-DEDYPNTBSA-N 447.922 5.031 10 40 IKCB COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 409349381 PKQPUGHIPSWKFR-ODLFYWEKSA-N 446.380 6.561 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 13141865 YDLBSJBXCCMFMW-UHFFFAOYSA-N 446.286 5.169 10 40 IKCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 36080635 GSGUMWAFJXFOQB-QQNWGBJXSA-N 429.991 7.869 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1 80348128 LXRUUBVMKDKWSU-HRXHUYTNSA-N 433.581 5.520 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C 222781214 BLIWCGSLZYVJJJ-JWQCQUIFSA-N 426.589 5.635 10 40 IKCB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)ccc2c1 260798396 SOEOTUPBGICJPN-RBUKOAKNSA-N 438.593 5.124 10 40 IKCB CCc1ccc(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)cc1 408760597 BKQKXBHGPVKTSF-OYKKKHCWSA-N 427.573 5.044 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)C(C(=O)OC)=C2C)cc1 408769470 MQAJEQNXTBQLLT-ATVHPVEESA-N 432.303 5.269 10 40 IKCB CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 408871316 ZDJGRDMRSCMBLH-UHFFFAOYSA-N 426.472 5.059 10 40 IKCB CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1 409145229 PUGCXSQRUSYSDJ-HZHRSRAPSA-N 438.593 6.109 10 40 IKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 409160084 XJECVCDLHIOSPC-OHUGHZGNSA-N 437.530 7.824 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)c1 409233854 IBFFWWLKXFMEEL-RCCKNPSSSA-N 444.581 5.286 10 40 IKCB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(OC)cc2)CO4)cc1 2123112 NOYXVKJSYFPWTQ-UHFFFAOYSA-N 429.472 5.142 10 40 IKCB biogenic COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCCC3)c(OC)c1 2909632 VVKPEYHUWVGCDN-UHFFFAOYSA-N 442.606 5.960 10 40 IKCB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 8821406 MWXHILJQYZOJMR-UDWIEESQSA-N 439.945 6.208 10 40 IKCB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1ccc(Br)cc1 9716444 NNHVYUKLTGSUBJ-UHFFFAOYSA-N 445.386 5.066 10 40 IKCB COc1ccc(CN(C)Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)cc1F 32869423 JROZYSBKFYDZIY-UHFFFAOYSA-N 433.479 5.254 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)cc1 33333523 ZMNVFZSDSAWDOO-LDADJPATSA-N 438.892 5.899 10 40 IKCB CCN1C(=O)/C(=C(\C=C\C=C2/N(C)c3ccccc3C2(C)C)c2ccccc2)SC1=S 83259432 UMXJEPRTNZRTIW-CXEJKEGRSA-N 446.641 6.146 10 40 IKCB Oc1cccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)c1 95480894 QPOQRMNUFWIFIQ-UHFFFAOYSA-N 445.475 5.715 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 100879392 QHQOVYYHJFXHTE-KGENOOAVSA-N 447.878 5.633 10 40 IKCB COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(Cl)cc2)cc1 408759847 MULQDEWVQJYQFO-KOEQRZSOSA-N 438.914 6.336 10 40 IKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(C2CCCCC2)cc1 408985863 NSKQSBFGTABFIQ-NCELDCMTSA-N 439.986 7.859 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OCC 409329781 HXTJJCCECWUYPK-ZHZULCJRSA-N 429.563 5.289 10 40 IKCB Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)ccc1Cl 666536 YKNQDXJKKXHPGN-UHFFFAOYSA-N 435.911 5.540 10 40 IKCB Cc1ccc(Nc2scc(-c3ccc(Cl)cc3Cl)[n+]2-c2ccc(C)cc2)cc1 2677045 QICGLPLJJTUFJY-UHFFFAOYSA-O 426.392 7.359 10 40 IKCB CCCCCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)c1nc2ccccc2s1 3344284 KAIRJHGFSVPXHH-UHFFFAOYSA-N 431.605 6.931 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)CC 3769069 ZMRQMEOEDNFWLD-FEMWLQECSA-N 441.618 6.285 10 40 IKCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1Cl 8843397 FNZUHVBEFQPPDV-UHFFFAOYSA-N 441.940 5.314 10 40 IKCB Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)n1-c1ccccn1 9469104 ACTGLGBPTZOEQZ-UHFFFAOYSA-N 435.578 5.119 10 40 IKCB Nc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Br)cc32)cc1 12644936 FEPSQAQTFNVQPY-UHFFFAOYSA-N 425.717 5.119 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1C(=O)c1ccccc1Cl 16449234 JGJJVLGFKMSNTA-NTEUORMPSA-N 438.755 5.144 10 40 IKCB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 22130531 XLFWCHROOHQZQJ-UNOMPAQXSA-N 440.377 5.470 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)cc1 26772096 LKOHGFCXPAZGDV-FPNNDXFKSA-N 434.624 5.360 10 40 IKCB biogenic Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 33437947 YYKOYDNRXADSMH-ZBKNUEDVSA-N 440.355 5.171 10 40 IKCB COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2[C@H]2C=CC[C@H]21 58845963 SLNQNTNCWMKHBV-UZINWLIJSA-N 446.572 5.631 10 40 IKCB CN1C(=O)/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S 113838568 WNILVXAUDMZUQN-GIJQJNRQSA-N 433.385 5.827 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 222966734 BHADTTMYQOCMRW-DNQXCXABSA-N 434.609 5.270 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4F)o3)SC2=S)cc1 408603121 QETNKEZSZHHAED-UDWIEESQSA-N 442.512 5.697 10 40 IKCB Cc1ccc(C(=O)N2N=C3/C(=C/c4ccc(N(C)C)cc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 1505534853 XNAPGUVZIOTNMP-SZYBFPKNSA-N 449.598 6.498 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@H]1CC=C[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8443283 LWUPMVGMGQEQBX-UKFDBNNRSA-N 448.360 6.042 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)SC2=S)cc1Cl 9232613 IVEOLFDTVCLXQH-VIZOYTHASA-N 442.345 5.122 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 41083236 KKOAEZNAMVISNT-KMFLQCEESA-N 439.972 5.331 10 40 IKCB O=C(Oc1cccc(/N=[N+](/[O-])c2cccc(OC(=O)c3ccccc3)c2)c1)c1ccccc1 100367872 GBGBDJNKPGJLQV-BYYHNAKLSA-N 438.439 6.051 10 40 IKCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3cc(Cl)ccc3Oc3ccccc3)C2=O)cc1 112295642 WCRALTXLLBSJLY-JLPGSUDCSA-N 447.922 6.250 10 40 IKCB COc1cc(N2N=C(C)/C(=C\c3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Cl 408995426 COYUQQRHELBGKW-FYJGNVAPSA-N 434.927 5.016 10 40 IKCB CC(C)COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 409207632 ZBSNZBQMMBMFSQ-ZDLGFXPLSA-N 448.407 5.890 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OCC 409341408 AKVHJEWBMHDSOW-QNGOZBTKSA-N 427.591 5.978 10 40 IKCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc2ccccc2c1 1010388 UGYFZBKGBFFKBP-UHFFFAOYSA-N 428.473 5.276 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(F)c3)C2=O)cc1 8819756 JWPKHSXDNZYCEV-ZHZULCJRSA-N 442.581 5.534 10 40 IKCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccc(C)c(C)c3)=NC2=O)cc1OC 33590844 COMNHXLMCLWKTR-GEYIUBJWSA-N 444.984 6.225 10 40 IKCB Cc1cc(O)ccc1/N=N/c1ccc(Nc2cc(S(=O)(=O)O)ccc2[N+](=O)[O-])cc1 44790217 IOXUCBAQLIRZBX-QURGRASLSA-N 428.426 5.015 10 40 IKCB S=C(N=c1cc[nH]cc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408734681 BTSDHPUCEDDADO-UHFFFAOYSA-N 431.524 5.715 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 408996354 DEQHNYGBUFAVDX-PDGQHHTCSA-N 444.358 6.168 10 40 IKCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O 409172092 HENOYVROWODKRP-OEAKJJBVSA-N 449.938 5.239 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc(Br)c1 8826702 RYFRCNFIVQDSJM-QGOAFFKASA-N 436.736 6.574 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 9161293 MVIIBGIZCZPPJB-QUYJEORZSA-N 425.945 5.023 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 28166581 KSPKLJYLKOLVHW-NTEUORMPSA-N 442.345 5.319 10 40 IKCB Cc1cccc(Cn2cc(/C=C3\C=C(c4ccc(Cl)cc4)OC3=O)c3ccccc32)c1 32139011 NVHYJIDPVFVHIR-KGENOOAVSA-N 425.915 6.633 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(O)=NC2=S)c(C)c1 59137201 NILMIRXARYDCHA-FYJGNVAPSA-N 447.535 5.522 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc(OC)c1OC 60512485 BVCQGKXZDPMMEG-MOSHPQCFSA-N 437.542 5.271 10 40 IKCB O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 113830673 IRYNDFPFLFRRGF-VGOFMYFVSA-N 426.744 5.214 10 40 IKCB O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)cc1 113837716 YOWLWOCMANNXSQ-MKMNVTDBSA-N 445.736 5.961 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 208253195 DUADAYRXFXCSJU-IPZKOZABSA-N 441.934 5.294 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc21 222589415 CEZFZHAFRFTQNL-ITEAAPOESA-N 439.028 5.956 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Cl 222919898 UNUAQIFMQZJBMG-GOTSBHOMSA-N 439.028 5.771 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N(C)C)cc1 222923195 ZZUCHADNVQAHLC-RPBOFIJWSA-N 447.652 5.184 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1 223533644 RAIXEFYTPFWZBP-DQEYMECFSA-N 439.588 5.057 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)c1 409213822 TXUXDZJRCIHDIA-UNOMPAQXSA-N 445.487 6.680 10 40 IKCB CCCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S 409340133 QXYXIAGUUYBRRF-UDWIEESQSA-N 426.994 5.954 10 40 IKCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1 2370882 FKDSVKYAZAVOAN-UHFFFAOYSA-N 442.895 5.071 10 40 IKCB Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 8615409 AMTWUDMKCXRHLJ-OABJIQBASA-N 449.984 6.745 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OCC)C2=O)c(OCC)c1 9849732 KDNGMUKHTBAOBT-MOSHPQCFSA-N 429.563 5.289 10 40 IKCB CCOC(=O)c1c(-c2ccc(C)cc2)csc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 100209380 KPPSLOPPLQGBNL-XSFVSMFZSA-N 445.544 5.619 10 40 IKCB CCN(Cc1ccccc1)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)c1 104366389 GAHIPYIXWHPTTH-FCQUAONHSA-N 440.481 5.283 10 40 IKCB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260733020 DPELDEDPWLFOQJ-PKOBYXMFSA-N 439.625 5.456 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc2ccccc12 408985820 NLTZYPLHCXWREX-RCCKNPSSSA-N 442.345 7.618 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S 409198366 DWPGFTDIWIGXLH-BOPFTXTBSA-N 447.006 6.040 10 40 IKCB CCN1C(=O)/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S 409376677 CNQZELRFTDLLLD-NDENLUEZSA-N 426.994 5.873 10 40 IKCB COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 8927176 QMJYALQHUQUUHD-RLSLOFABSA-N 425.484 5.519 10 40 IKCB Cc1ccc(Nc2cc3c(nnn3-c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 9334070 HVYRWCSBPNTICT-UHFFFAOYSA-N 444.494 5.556 10 40 IKCB CC(=O)Nc1c(Oc2ccc(C(C)(C)C)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O 15083002 ROLOLATYSNEFRM-UHFFFAOYSA-N 429.472 5.216 10 40 IKCB CCCCN1CCc2cc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N=C3O)ccc21 17251576 QFDZYJOYENYHJO-RCCKNPSSSA-N 433.577 5.138 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(O)=NC2=S)cc1 33912822 MVBFZYDGUWJRKS-HYARGMPZSA-N 429.545 5.383 10 40 IKCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O 208519447 PZLNYFPFSUDPCU-DORSJAEJSA-N 442.581 5.005 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1 223343539 JNDNEBRWYLUNFX-DQEYMECFSA-N 442.588 5.563 10 40 IKCB O=C(NCc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408735558 SKSRPVAMMFQVMU-UHFFFAOYSA-N 428.495 6.411 10 40 IKCB Cc1c(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 409019111 IHCYAHICADOWRM-HZHRSRAPSA-N 441.918 5.749 10 40 IKCB COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1 409210923 MGOHOXYHIYRQIQ-NHDPSOOVSA-N 438.936 5.997 10 40 IKCB O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccccc1F 409340539 YUSHEKWTVFXXGT-FRKPEAEDSA-N 433.327 5.475 10 40 IKCB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2CC(=O)c1ccc(F)cc1 2350964 ALRUFLSGJKDPOZ-UHFFFAOYSA-N 431.579 6.292 10 40 IKCB CCN(CC)c1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1 2632521 BXNGXGUAFGQGAH-UHFFFAOYSA-N 449.501 5.472 10 40 IKCB O=C(O)c1ccc(C[n+]2c(-c3ccc([N+](=O)[O-])cc3)csc2Nc2ccccc2)cc1 3012584 KWYMJLDEXRIOFG-UHFFFAOYSA-O 432.481 5.101 10 40 IKCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 8821225 SZVOPKPMMCFAPV-LICLKQGHSA-N 431.300 6.041 10 40 IKCB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 8821704 VNAQTFXZDHMDHP-ZSOIEALJSA-N 439.871 5.641 10 40 IKCB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 41076364 ALZBJJAFNUPBBV-COGBYSKYSA-N 447.564 5.075 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 141806404 BETUJYLSNMKEQH-JLPGSUDCSA-N 427.573 5.207 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3OCc3ccccc3)cc2)CC1 218987453 VHEZPBDSNIILKQ-QFIPXVFZSA-N 428.576 5.993 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(F)c1 223096548 NYBUCAISQISJSH-DQEYMECFSA-N 448.611 5.933 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 408758028 FVFJLHGZLFMQKW-KGENOOAVSA-N 433.305 5.292 10 40 IKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 408761252 CWDUZYBAVLOVQQ-LFVJCYFKSA-N 426.878 6.467 10 40 IKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 409196989 ZCAXEZMJNHWHMB-VCHYOVAHSA-N 449.384 6.209 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)c1 409201538 MCHNXITWHQYEHD-XDHOZWIPSA-N 449.513 5.496 10 40 IKCB COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409334665 VPBKUPKUWHAZSZ-ODLFYWEKSA-N 446.380 6.561 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1C 2847966 YAMHRMYRIXQPFV-UNOMPAQXSA-N 448.009 5.847 10 40 IKCB CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccc(C)cc3)C(=O)N=C2O)cc1 8769860 OUWSMSPRNUFWFI-JWGRYVKWSA-N 441.531 5.229 10 40 IKCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)CCc1ccccc1 36358644 PVNDDJHMDRHMNJ-UHFFFAOYSA-N 440.547 5.027 10 40 IKCB CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 41108483 OQHSBYYJHITSMO-VHDUERLVSA-N 447.608 5.992 10 40 IKCB C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 225838386 SMDCXTSOYWUOBD-ZDUSSCGKSA-N 443.922 5.243 10 40 IKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)c2ccccc21 409197498 HCJDMJORCSRDEH-DEDYPNTBSA-N 434.561 5.466 10 40 IKCB Nc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1/N=N/c1ccc(C(=O)O)cc1 3849198 PLLCNDMFTOJDFK-OCOZRVBESA-N 432.387 5.172 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C(=O)N=C2S1 8722146 WSJHTOUFMFALKB-WUVMMTAUSA-N 447.347 5.919 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 9188376 PBLTUIMKUAAHHN-XKZIYDEJSA-N 431.538 5.484 10 40 IKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Br)cc1 9363755 WOISAZQREBJUQZ-ZSOIEALJSA-N 445.190 6.162 10 40 IKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 36081151 VFWUOVRUMHJQBD-UMFSSWHCSA-N 439.511 5.909 10 40 IKCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1cccc2ccccc12 59109549 HROVNZCLZFNTDK-XQNSMLJCSA-N 441.531 5.882 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3cn([C@H](C)CC)c4ccccc34)C(=O)NC2=S)cc1 109041724 GECYYUWUJKATKB-ZFMLPXDISA-N 431.561 5.006 10 40 IKCB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5cccc(Cl)c5)c4C)c(=O)n3c2cc1C 408755383 UMZMTDBHFNAPBY-JJFYIABZSA-N 433.964 5.135 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408987792 YGGABUOBGQDXHO-XDJHFCHBSA-N 436.338 6.863 10 40 IKCB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408998792 CEHXYBXVLQQRGI-DTOCWJLUSA-N 444.535 6.382 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1 408998841 UZVIVRPIJVVRRP-XQNSMLJCSA-N 432.907 5.582 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 409019951 LBJFFQPDMANMFA-ITYLOYPMSA-N 433.511 5.858 10 40 IKCB CCOC(=O)c1ccc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)cc1 409336838 WKLNWGQFOOBPFM-JOCHJYFZSA-N 443.459 5.227 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC 409344227 IGBVSQXASHSHJS-QNGOZBTKSA-N 442.606 5.346 10 40 IKCB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(OCc2ccccc2)cc1)C3 2119635 YFUBHGPKJGMLGV-UHFFFAOYSA-N 435.479 5.882 10 40 IKCB biogenic COc1cc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)ccc1OCc1ccc(C)cc1 9188885 HEKBVXWUYXFLBY-NLKUQUHMSA-N 436.577 5.285 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1 9193195 HIMMNIZYYSFZNM-CXJFQJJYSA-N 441.560 5.667 10 40 IKCB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 12311387 GUIHTNPQHBKLBL-ZQHSETAFSA-N 439.471 6.059 10 40 IKCB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(O)cc1 13098250 OIXVANIHQNOOPV-BWBFJQJUSA-N 431.492 5.102 10 40 IKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O)=C\c1ccccc1 28464711 BFALAZAHOCVDCD-LDFNIPPCSA-N 446.956 5.265 10 40 IKCB Cc1cccc(Cn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1 35146606 UINRCLRCWIBRRC-LPYMAVHISA-N 439.471 5.093 10 40 IKCB Oc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NC2(CCN(Cc3ccccc3)CC2)N1 80324926 AORGQCQAKHXIQC-RUZDIDTESA-N 429.539 5.047 10 40 IKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1 83318133 ZMMSIIOIYJZVSZ-KGENOOAVSA-N 446.890 5.734 10 40 IKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1 106689082 NUEXSDBUQUPRPU-NDENLUEZSA-N 430.957 5.431 10 40 IKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222620007 JLYLNPTXAPLXNM-GMWOSMDTSA-N 437.012 6.040 10 40 IKCB CCN(CC)c1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 223192515 ATINVWDSHLWTIR-XIEYBQDHSA-N 429.520 5.298 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccc(Cl)cc2)cc1 408756716 UEBRKNAACXBMTI-XQNSMLJCSA-N 432.907 5.582 10 40 IKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(F)cc2)cc1 408757495 YGEIPTSHKAEUPI-CIAFOILYSA-N 441.289 5.976 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408803400 OMDKHUITMBPYHH-XSFVSMFZSA-N 448.906 5.257 10 40 IKCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)c1 408871040 VHHQVXFXWUXXNA-RCCKNPSSSA-N 444.918 5.214 10 40 IKCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 409013212 MHBKITQHIJZHJV-VYVDHXHBSA-N 440.565 5.205 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)c1 409352618 XIALACJZKKTILD-KGENOOAVSA-N 435.595 6.607 10 40 IKCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)cc1 1254520 CGVNFDXDISSAON-UHFFFAOYSA-N 430.495 5.772 10 40 IKCB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1 9293534 HZSSYSHUUQNDOU-CWPMWFGSSA-N 432.336 5.040 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1c(Cl)cccc1Cl 13942004 KBYUXRODIFNNHP-LGMDPLHJSA-N 439.298 5.034 10 40 IKCB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 15947820 SMQKGHAPEDXRRK-XMHCIUCPSA-N 438.980 6.252 10 40 IKCB Cc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 34864240 QUQVCLPWCWGDGV-MOSHPQCFSA-N 431.026 6.281 10 40 IKCB O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 35241312 NSCTZCJJJRYTKM-UNOMPAQXSA-N 433.360 5.830 10 40 IKCB O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1C1CCCCC1 113834154 WECQHNDXYNSCNY-HZHRSRAPSA-N 432.614 6.224 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 408752564 BQTPMPYTAGQZRK-AQTBWJFISA-N 432.863 5.728 10 40 IKCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408987887 ZMMDUQREGXIUDB-DEDYPNTBSA-N 434.322 6.667 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1Br 409341316 BERSSWNTAHLZLF-LDADJPATSA-N 448.407 5.952 10 40 IKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 6241469 IYFBLMBSWRSJAH-UUKQMZOISA-N 432.608 5.441 10 40 IKCB CCN(Cc1ccccc1)Cc1c(O)ccc2oc(C)c(C(=O)Nc3ccc(C)cc3C)c12 8612208 OBAHQNLKKZTYLW-UHFFFAOYSA-N 442.559 6.338 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 9232316 ATZQAEWRBLQWRS-YBFXNURJSA-N 432.973 5.794 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1 9233439 IXQDCYPLUYMDPH-SMKDVUIYSA-N 439.544 5.070 10 40 IKCB CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1cccc(I)c1)N2 13633835 MDCQSQMXDAJHKA-IBGZPJMESA-N 435.349 6.389 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 13785404 AYCZXTNVLUGTNB-APSNUPSMSA-N 426.346 5.416 10 40 IKCB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)CC2)cc1 44854944 LUXDYRFUQGLUPX-GOTSBHOMSA-N 433.640 5.321 10 40 IKCB C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3ccc(OC4CSC4)cc3)[C@H]2C1 408736024 AOHABGZPXZZKMK-DXBVXKBHSA-N 427.569 6.800 10 40 IKCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 408806054 AAXZYZNSPBAUJG-KOEQRZSOSA-N 448.478 5.085 10 40 IKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@H]21 409160090 XJECVCDLHIOSPC-UMEGOILYSA-N 437.530 7.824 10 40 IKCB COc1ccc(OC)c(NC(=O)c2c(NCc3sccc3C)sc3c2CCCC3)c1 2909405 LJICJJNTXJHZBQ-UHFFFAOYSA-N 442.606 5.878 10 40 IKCB C[C@@H]1CC[C@](C)(COC(=O)c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)C1(C)C 3846126 RXKGVUCNZGYOMG-FBSFTURXSA-N 430.548 7.580 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 9066168 QARPEVNHTVFVFJ-BTGMWCQSSA-N 445.523 5.104 10 40 IKCB Cc1cc2c(N)c(C(=O)OCC(=O)c3ccc(Cl)cc3)sc2nc1-c1ccccc1 13575497 CIBDHRUNEJWFKA-UHFFFAOYSA-N 436.920 5.547 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 13618332 YTPCFMAETLNTCO-YVLHZVERSA-N 439.480 5.519 10 40 IKCB CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1 19793030 PXAKFKCEIAOBHO-UHFFFAOYSA-N 447.453 5.858 10 40 IKCB Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 59961071 AJTFUVHJUPYBJN-VRUMLPLGSA-N 430.573 5.931 10 40 IKCB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1 113834734 LCRYMDIHIRKHEJ-XDHOZWIPSA-N 439.489 5.278 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3CCc3ccccc3)cc2)C1 219005536 SZBCCSDCYSXXHX-DHIUTWEWSA-N 426.604 6.199 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C(/Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)O 408632966 IFNPJCPWSDGXBV-CPNJWEJPSA-N 440.956 5.252 10 40 IKCB Cc1c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccccc1 409009638 HFHWZYZSPSXKTQ-BUVRLJJBSA-N 439.490 5.230 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21 409161064 VVOSDJWGXFWXTG-WTOJCKNJSA-N 425.153 6.591 10 40 IKCB Cc1ccc2c(c1-c1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O 3875540 SOHQSWHUIQYXPT-UHFFFAOYSA-N 442.470 5.521 10 40 IKCB biogenic Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)c3cc(C)n(-c4nccs4)c3C)c2C)cc1 13017491 UXMHFGJOKCLMOX-UHFFFAOYSA-N 447.560 5.306 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1 33662556 STFPPAVSTFAPFT-HRXHUYTNSA-N 433.581 5.520 10 40 IKCB CCCCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CCCC2 44827073 JZMNIMODSJNYRH-XDJHFCHBSA-N 437.565 5.302 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 58928766 VADMMLPXXOXVOK-BWACUDIHSA-N 449.688 5.535 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 59959268 YYNUMHXMWXGVQI-HAHDFKILSA-N 427.500 5.546 10 40 IKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C 208308862 BATHUNXWPSNHAN-NXUSMQHESA-N 438.568 6.174 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 223566208 WWBZHYVZQKTBNV-QCYAWUEASA-N 448.632 6.732 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(C)c1 408742264 OAUFWGGDEBLUHE-BUVRLJJBSA-N 426.512 6.262 10 40 IKCB Cc1ccc2nc(Sc3ccc(/C=C4/SC(=S)N(c5ccccc5)C4=O)o3)[nH]c2c1 408962974 WNZXCNRNAIBDMQ-LDADJPATSA-N 449.582 6.021 10 40 IKCB CCOc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)cc1 924743 QOUIPTGVLVDQHJ-UHFFFAOYSA-N 433.533 5.321 10 40 IKCB COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@H]3CCCN4CCCC[C@H]34)c2c1 5551927 YFKOILHZKFBUBK-AVRWGWEMSA-N 438.015 6.507 10 40 IKCB N=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12 13786133 JQVPHAXEVALNCU-UGIGCIEISA-N 437.524 5.570 10 40 IKCB COc1ccc(N2CCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)CC2)cc1 19923752 DFDMMOMXSMAADB-UHFFFAOYSA-N 446.982 5.069 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3)C2=O)cc1Br 27519453 DOENNJNBVCRMPD-XMHGGMMESA-N 432.317 5.929 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1C 225018394 COLWLRWQWTZKMQ-FTJBHMTQSA-N 444.648 6.021 10 40 IKCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Cc2ccccc2Cl)C1=O 408865546 CWSFJYFUWJTTKF-PGMHBOJBSA-N 444.918 5.160 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)c1 408872766 IKXXGADAHIFDOM-KGENOOAVSA-N 448.881 5.045 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccccc1Cl 409132722 KQAPZUCTIYRKNI-FYJGNVAPSA-N 428.985 6.364 10 40 IKCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)c1 409235072 ADPRMGIIVFFKCY-MFKUBSTISA-N 436.515 5.044 10 40 IKCB Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3)n2)c(C)n1-c1ccc2c(c1)OCO2 3364930 WZIQTNJUMYJPCM-UHFFFAOYSA-N 435.480 5.338 10 40 IKCB CC(C)(C)c1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(C(C)(C)C)c1O 9188336 FYMLIGKJKIKJGW-BRYHAGSVSA-N 433.639 5.367 10 40 IKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)cc1 16031572 CDRPREWFAAIKMU-SCTDOJESSA-N 436.596 5.050 10 40 IKCB biogenic Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1N1CCCC1 34868477 HGDZPCJYOHNHBW-NDENLUEZSA-N 447.387 6.139 10 40 IKCB CN(C)c1ccc(/C=C\c2c3[s+]c(-c4ccccc4)c(=O)n-3c3ccccc3n2C)cc1 136376934 DETOPIKRAKFREX-SDXDJHTJSA-N 438.576 6.013 10 40 IKCB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1 224201049 VPUCDDTZNSKJPF-CLJLJLNGSA-N 438.600 5.975 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccccc3OCc3ccccc3)cc2)C1 260577503 ABLUZJGRNXRVRJ-VXKWHMMOSA-N 428.576 5.993 10 40 IKCB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C(C)C 260746285 VKCKBFQHIQTPTI-AZUAARDMSA-N 444.641 5.403 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1 408987796 YHYHOKQDEKDJDE-GZTJUZNOSA-N 437.282 6.373 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)SC2=S)cc1 409053626 NRVMJEZDLZHYNM-UCQKPKSFSA-N 449.572 6.115 10 40 IKCB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc1 2283634 DRZJKYBZELNASG-XMHGGMMESA-N 428.554 5.008 10 40 IKCB O=S(=O)(Nc1cc(Sc2ccc(Cl)cc2)c(O)c2ccccc12)c1cccs1 2685416 XTSXSUBKFHCNNV-UHFFFAOYSA-N 447.990 6.212 10 40 IKCB O=C(CNc1ccc(Cl)cc1C(=O)c1ccccc1F)Nc1ccccc1OC(F)F 3322104 VIZXLBSICXWPBG-UHFFFAOYSA-N 448.828 5.362 10 40 IKCB C/C(NCCc1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17102621 LMJJOUCZETZFFJ-NKFKGCMQSA-N 438.556 5.154 10 40 IKCB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21 20059420 WISKVAFUXNGPMI-XIEYBQDHSA-N 449.554 5.729 10 40 IKCB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 21005539 VCRYBPNGMMCRML-RUZDIDTESA-N 438.531 5.092 10 40 IKCB CCN(CC)c1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)cc1 28291144 FPEYDGZPEDEIFB-UHFFFAOYSA-N 438.369 5.537 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)cc2)cc1 408531260 MNNNBWFCCYJRRD-KGENOOAVSA-N 437.586 6.691 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S 1182637 ZFXCESJUYKDCTJ-WQRHYEAKSA-N 433.982 5.457 10 40 IKCB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccc(/N=N/c2ccccc2)cc1 9539510 AYGKIGHXEHQXDM-OCEACIFDSA-N 427.493 5.357 10 40 IKCB CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)c2ccccc21 20059387 ZHFVPEWNFICHMG-LPYMAVHISA-N 443.344 5.969 10 40 IKCB CC[C@H]1CCCCN1Cc1c(O)c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc12 20329108 PSQOCDMLJRKTTP-SFHVURJKSA-N 425.956 5.816 10 40 IKCB Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccco2)cc1 44086195 HIUXBWYJODKJRV-UHFFFAOYSA-N 437.952 5.884 10 40 IKCB Cc1ccc2ccc([C@H](Nc3cc(C)c(Br)cn3)c3cccnc3)c(O)c2n1 46085524 QVXVCFWRWLSFJY-HXUWFJFHSA-N 435.325 5.311 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(OC)cc4)c3C)N21 222699594 MMCNJHRNFCOQIE-NTUVXCKYSA-N 432.593 5.477 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C 222703002 JDQONKJAVOYORL-YMVVMYQSSA-N 444.648 6.339 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409058776 LDHVUTWHAIDPHN-JCMHNJIXSA-N 444.506 5.419 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc2ccccc12 409065083 GANQCASCQHQJNM-OEAKJJBVSA-N 441.918 5.998 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 409383003 QJAWSOOWMLWOMU-STZFKDTASA-N 431.513 5.145 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(Nc4ccccc4C(=O)O)=NC3=O)c2)cc1 8821726 DTFWEQBXUCBVKJ-HMAPJEAMSA-N 444.512 5.355 10 40 IKCB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)/C=C/c2ccccc2)cc1 9159463 JTCVDNFSZVKVGA-PMEYMNTDSA-N 448.522 5.945 10 40 IKCB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 409331520 NMCXAAQZKULCOT-BKUYFWCQSA-N 439.989 6.686 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)SC2=S)c1 409349121 UMYKAAHYSXVRIV-UDWIEESQSA-N 435.526 5.667 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 33332248 PBPKAYPEINPQMU-UNOMPAQXSA-N 439.298 5.034 10 40 IKCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)ccc12 100796206 HEEJZIZZTPCGPK-WTYVLRPYSA-N 431.576 5.798 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc2Cl)cc1 107834937 IIXSCYGWVYCQOU-UCQKPKSFSA-N 448.975 6.618 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(F)c1 224165172 WADNPAUUJKIUKX-JWQCQUIFSA-N 442.563 5.805 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(Br)cc2)c1 408840928 GNJAAXRFZJZXPY-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3S)C2=O)cc1 408986590 QVPSLNKCKHBOAJ-XDJHFCHBSA-N 433.960 6.499 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1 408997661 SGDHUUALHAXHQM-CJLVFECKSA-N 447.332 5.682 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)SC2=S)c1 409338937 QWYWRFAXVAEPJE-FYJGNVAPSA-N 436.627 6.222 10 40 IKCB CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 9293327 KUBKZZKAHBJWCU-SUYASHRRSA-N 447.608 5.992 10 40 IKCB O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1C1CCCCC1 13765764 SFPQFFFBGIKXAJ-JCMHNJIXSA-N 443.572 5.489 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(F)c1 14010139 QWZOUKCKNGFMIY-HZHRSRAPSA-N 430.479 5.610 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc(C(=O)O)cc1 23330363 WQJMUIQFTZPGDZ-KOEQRZSOSA-N 434.495 6.011 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1C[C@H]1CCCO1 40006340 VZVLIVDVAVVAOJ-CNJGYECJSA-N 445.993 5.299 10 40 IKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 100324195 QQDNTJJSUPFHHL-JJIBRWJFSA-N 441.487 5.760 10 40 IKCB Cc1cc(C(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1ccc(OC(F)F)cc1 102220795 ZXAKOLMYDMVRHS-OKZBNKHCSA-N 431.479 5.248 10 40 IKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 102715551 LTANIYNVENJTCN-PEIKYOHHSA-N 446.388 6.546 10 40 IKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=N)N12 103563303 WTYPWUUMPYUVKE-JFBLTNLISA-N 431.348 5.568 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 408587067 PUHCKJUQILTZGQ-KQWNVCNZSA-N 445.902 6.010 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)cc1OC 408840759 FLNAWYGVUJYAOE-XSFVSMFZSA-N 448.906 5.200 10 40 IKCB Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408876976 ROVHSKNLMQVIEL-LFVJCYFKSA-N 438.527 5.177 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1Cl 409332110 PKHPNELMRVOBDH-CHHVJCJISA-N 441.317 5.316 10 40 IKCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 13512825 KKQFZVYERDTZSB-SXGWCWSVSA-N 425.453 5.128 10 40 IKCB COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1 58845723 SRBBBSZNAKXHPD-VVZHRXSXSA-N 446.572 5.631 10 40 IKCB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(Cc1ccccn1)c1ccc(F)cc1F 59785469 DBJQUDYQQVXEHH-WYMLVPIESA-N 444.485 5.409 10 40 IKCB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(N(C)C)cc1 103523535 CBEXRVVQTDVZCO-RUZDIDTESA-N 431.580 6.201 10 40 IKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F 112293094 WHFBDHOVRTZDQE-ZHZULCJRSA-N 433.430 5.483 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)cc2C(C)=CC1(C)C 208525795 VAJCPNHNTNMBMG-UCQKPKSFSA-N 431.605 6.408 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 222866521 LHDLFFPUQOYBFD-FCHUYYIVSA-N 441.000 5.231 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccc(Cl)cc4C)NC3=O)c2C)cc1 408806899 CDWZFJSXBYVDQI-UHFFFAOYSA-N 436.988 6.127 10 40 IKCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 409230806 GTUMQCQFSNXWBC-RVDMUPIBSA-N 443.311 5.085 10 40 IKCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 9096563 SOWUPJIMYYSXLL-UHFFFAOYSA-N 447.318 5.351 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)ccc1Cl 409154636 KNYZMOBCUYZKAV-RLFDGXBXSA-N 429.225 6.747 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1O[C@@H](C)CC 409198986 MVIUBYCJZUMRED-UOEVCUDDSA-N 430.595 5.218 10 40 IKCB CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 409238244 MEHCINMJEKFSMC-UDWIEESQSA-N 442.346 5.608 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C 409338732 PBUCHPIGYYFLTK-UNOMPAQXSA-N 433.982 5.932 10 40 IKCB CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1 2160118 OFFDOUASKKWVSU-UHFFFAOYSA-N 428.326 5.745 10 40 IKCB Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc3c2O)cc1 6142734 NEVBVXINQDYYEK-UHFFFAOYSA-N 435.570 6.114 10 40 IKCB CCN(CC)c1ccc(-c2nc3sc(-c4ccc(N(CC)CC)cc4)nc3s2)cc1 8780942 NJQWEBVFSCSHDX-UHFFFAOYSA-N 436.650 6.779 10 40 IKCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1cccc(C(F)(F)F)c1 9188566 OREAPQOJMDTGGM-ZSOIEALJSA-N 444.297 5.874 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 9188812 AONHRNIPFAZXIH-JWGURIENSA-N 433.554 6.283 10 40 IKCB CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(CC)CC)SC4=NC3=O)c2C)cc1 9209678 YUSNOOKZSYPVIS-SMKDVUIYSA-N 447.608 5.712 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)cc1 13590113 BBQVWLIXFPVEJI-SILNSSARSA-N 440.590 5.096 10 40 IKCB O=[N+]([O-])c1cc(Br)c(/N=N/c2cccc3ccccc23)c(Br)c1 17376745 KXUIGFSQDIVESZ-FMQUCBEESA-N 435.075 6.688 10 40 IKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(Nc2cccc(Cl)c2C)=NC1=O 33623488 MBBRUUOXJSEHNV-NDENLUEZSA-N 429.948 5.779 10 40 IKCB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219688601 YDXCGXIPHYGFRX-SQNIBIBYSA-N 445.401 5.330 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Br)N1c1ccc(O)cc1 408762093 MWRZCKCQDHGFIP-DEDYPNTBSA-N 437.268 5.128 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 408842925 LXNITWMHHZHQMF-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)N1CCCC1 409194256 IUTUWSDXZXBWHS-XIEYBQDHSA-N 447.538 5.483 10 40 IKCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1 2429723 CDUNDFWEZGIXOQ-PLLOTBJKSA-N 445.573 5.187 10 40 IKCB CC[C@H](C)c1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 12521100 LQZOCFIXSKEFNQ-AWEZNQCLSA-N 429.567 5.083 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 44853959 YKPVUCYTANCXTD-ZJSXRUAMSA-N 437.603 5.151 10 40 IKCB COc1ccc(-c2coc3c(CN4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c(O)ccc3c2=O)cc1 85880083 MYEUUXSFZCEDQF-MYUZEXMDSA-N 433.548 5.575 10 40 IKCB Nc1cc(N)c(/N=N\c2cc(/N=N/c3cc(Cl)c(N)cc3N)ccc2Cl)cc1Cl 104050108 UDHQBTHXNKZWJS-ZTCSZMBZSA-N 449.733 6.806 10 40 IKCB Cc1cc(/N=N\c2c(O)nc3ccccc3c2O)ccc1/N=N\c1ccc(C(=O)O)cc1 104389029 RYASJVSJGCGYQA-LBXGSASVSA-N 427.420 6.483 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225014586 CTKIPRASXOHFPI-CLJLJLNGSA-N 444.648 5.967 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)ccc1Cl 226696423 RIKOIBZBXNCHGC-KEYDSSBGSA-N 430.118 7.035 10 40 IKCB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Br 260455488 WUTIBJCFISAVJT-WMZOPIPTSA-N 445.401 5.250 10 40 IKCB COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)SC1=S 408536494 ZWIXEJQNHGWPBA-JCMHNJIXSA-N 449.622 6.561 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1 408761679 ARZIXRLRTXXDPY-XMHGGMMESA-N 447.918 5.837 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)CC)c(OC)c3)SC2=S)cc1 409334269 WMSDOJHYSXMUKA-XWCAUFEOSA-N 443.590 5.677 10 40 IKCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1Cl 8820351 VCEVHJOILPPECL-GUSDSWBTSA-N 449.384 5.390 10 40 IKCB Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)n1-c1ccccc1 12555651 CWIRJBFOKFLCRO-UHFFFAOYSA-N 437.568 6.408 10 40 IKCB CCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 13915350 VYEOYVUINGJKFH-DEDYPNTBSA-N 448.009 5.929 10 40 IKCB CCc1ccc(NCN2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)SC2=S)cc1 16161962 CHSNUTXHMRWYDH-RCCKNPSSSA-N 425.623 5.366 10 40 IKCB O=C1N=C(O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N1c1ccccc1 20324514 ZQPSKHMTRKGMEF-PDGQHHTCSA-N 438.892 5.732 10 40 IKCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 35644921 AKFHZMOCYFHYTD-HZHRSRAPSA-N 430.529 5.665 10 40 IKCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1Cl 58865985 NHZFMXJRAFYDRA-UHFFFAOYSA-N 433.287 5.326 10 40 IKCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 223627147 QZCLDNVUXDFDSU-GZTJUZNOSA-N 443.311 5.085 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)C1 225670474 YHJTUDIASANRNU-RTBURBONSA-N 436.625 5.097 10 40 IKCB O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)Nc1ccccc1Cl 408735191 LQPOFBSBIGFFSO-UHFFFAOYSA-N 448.913 7.387 10 40 IKCB CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1 409229115 JZACYKZVGLQQMG-YZSQISJMSA-N 441.575 5.838 10 40 IKCB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(Cl)cc3Cl)n2n1 1394560 RIMVPMQBSBGFLR-UHFFFAOYSA-N 439.371 6.839 10 40 IKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 9188554 XZOOROQJKFWEGN-PXNMLYILSA-N 426.346 5.416 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccccc3)c(OC)c2)SC1=S 9280133 QLXCSWLIIPUEMX-AQTBWJFISA-N 449.981 5.028 10 40 IKCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccc(C(C)C)cc1 9762852 RTENLVZXVLBMLR-STZFKDTASA-N 443.590 5.155 10 40 IKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)SC2=S)cc1 9805849 KBCZWWGBSPRERS-PDGQHHTCSA-N 447.423 5.483 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(Cl)c1 20244053 NLLXHWQQTOHHFD-HZHRSRAPSA-N 446.934 6.124 10 40 IKCB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2O)n2c(nc3ccccc32)N1 20797498 ZFCRPRQPBJUIBE-QFIPXVFZSA-N 430.895 5.323 10 40 IKCB COc1cc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc(OC)c1OC 33342784 UAZNQEKTYMCBSQ-CPNJWEJPSA-N 430.456 5.486 10 40 IKCB O=C1/C(=C/c2c(Cl)cc(Cl)c(O)c2Cl)SC(=S)N1Cc1ccccc1 33385774 XOXDRGCURUGCDJ-MLPAPPSSSA-N 430.765 5.754 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 41083079 ZHYFVQUDAAYECR-FTNSYOLJSA-N 433.581 5.602 10 40 IKCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1C 59137204 PLCKICBGKYVHPM-FYJGNVAPSA-N 431.467 5.357 10 40 IKCB Cc1cc2nc3ccc(/N=N\c4ccc(N(C)C)cc4)cc3n(-c3ccccc3)c-2cc1=N 104189330 ZPCPSRTVUXLRKH-NRTZJQAVSA-N 432.531 6.400 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Cl 222829242 PHQCALLDMPAGEN-YADHBBJMSA-N 425.001 5.523 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N(C)C)cc1 222923302 ZZUCHADNVQAHLC-DQEYMECFSA-N 447.652 5.184 10 40 IKCB CSc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 223441288 VGTIUMMBPALHMX-UHFFFAOYSA-N 431.391 5.640 10 40 IKCB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C(C)C 225426487 SWJAVCOMGCJMCC-HXUWFJFHSA-N 444.641 5.403 10 40 IKCB Cc1cc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)ccc1N1CCCC1 408633622 KYVGNSIGPXLIAE-CPNJWEJPSA-N 441.940 5.516 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(C)C 408901245 CNORSFATMUWGRJ-HZHRSRAPSA-N 432.614 6.623 10 40 IKCB CC(C)(C)c1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(C(C)(C)C)c1O 409137862 YJYWTMVONGBAAT-RGEXLXHISA-N 436.577 5.388 10 40 IKCB Brc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 409152907 GNZHSXIVFVUGBX-RQTOMXEWSA-N 448.429 7.568 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409252355 XKUKECVKWYSWNU-LFIBNONCSA-N 441.270 5.228 10 40 IKCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1 1266436 ZKZXJHSAZBGBJP-BAGULLTOSA-N 448.491 5.102 10 40 IKCB COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccc(Cl)cc2Cl)cc1 3117894 VTSWNGITRGIQRP-UHFFFAOYSA-N 429.347 6.036 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccco1 33318060 MWIHTMWFYCLZNE-NTEUORMPSA-N 431.231 5.349 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c(OCC)c1 113830449 HCDLTHSSNXYTNL-HYARGMPZSA-N 435.570 6.043 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1Cl 222743757 CQOMGKGCLIZZDN-UXHICEINSA-N 431.392 5.398 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225018805 ZUVCXLDQFSUBPY-AZGAKELHSA-N 444.648 6.021 10 40 IKCB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C 225655627 SBXUAQGEIBXSPH-SFHVURJKSA-N 425.598 5.066 10 40 IKCB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 260511505 QIQAOSIZJUZDNE-ZFGGDYGUSA-N 437.603 5.151 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408797998 HORKWAAGNNPXDN-XMHGGMMESA-N 448.906 5.257 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 408936566 GQZUOSABAXJMLX-PXLXIMEGSA-N 430.891 5.361 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC 409329331 DUTMFVYRNZHKES-XDHOZWIPSA-N 433.982 5.933 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 1013027 MNHNTPCRFZAVRE-JAIQZWGSSA-N 437.448 5.329 10 40 IKCB O=C1c2ccccc2-c2onc3c(NCCc4ccccc4)cc(Nc4ccccc4)c1c23 2393068 ZVKNDOLNBROSBI-UHFFFAOYSA-N 431.495 6.437 10 40 IKCB COc1ccc2nc3cc(Cl)ccc3c(NCC3(c4ccccc4)CCN(C)CC3)c2c1 4769467 RUBQMSJOGFKSBL-UHFFFAOYSA-N 445.994 6.126 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1 8821768 VIMVOORYJHAQRU-HAHDFKILSA-N 448.975 6.564 10 40 IKCB Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc(C)c1Cl 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YCCDOUZBZQDSCM-OAHLLOKOSA-N 437.565 5.150 10 40 IKCB COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CC[C@H](C)C2 2072947 UNPNJTZSQAKLIL-ZDUSSCGKSA-N 444.984 6.301 10 40 IKCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 8821414 XUKGNXYFJMFDNT-QAEAHILHSA-N 435.954 5.445 10 40 IKCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccc(Cl)c(Cl)c1 9188541 SFKFMNJYEKEJAK-AUWJEWJLSA-N 445.190 6.162 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c1C 31964548 FSUDHTYFKOGCME-MIKCAUBTSA-N 430.938 5.740 10 40 IKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2cccc(F)c2)cc1 33388509 WYLUGSPSLBQVER-BKUYFWCQSA-N 438.911 6.141 10 40 IKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222874633 HEQCWEIEJSUSGD-YADHBBJMSA-N 425.001 5.525 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(/N=N\c4ccccc4)cc3)C2=O)c(C)c1 408535702 ZTRGFRXLDNXGPX-OZQQWVCGSA-N 439.475 5.298 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 408605685 YMTLXASSZSFXKP-ZDLGFXPLSA-N 444.440 5.539 10 40 IKCB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 408639916 GSLAIJZGRWGQJY-QFIPXVFZSA-N 436.511 5.619 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(Cl)ccc2C)cc1 408787136 SDGOFGYGGAWVEH-DEDYPNTBSA-N 430.891 6.336 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 408901396 DYSLQDRKFNZCCN-OQLLNIDSSA-N 442.258 5.968 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc(Cl)c1OC 409329089 CQIIFOQSQFVODC-XDHOZWIPSA-N 441.961 5.916 10 40 IKCB CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409329504 DQNLVBYHFBDQMJ-GIJQJNRQSA-N 438.401 6.434 10 40 IKCB Cc1ccc(Nc2cc(N(C)Cc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2287874 GOIHNURUUXIGJR-UHFFFAOYSA-N 445.522 6.728 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 3626436 LMSCRERQRPTMAK-PDGQHHTCSA-N 446.330 5.659 10 40 IKCB Cc1ccc([C@@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 8437991 KQSLBWJBZMFNLO-AREMUKBSSA-N 442.518 5.821 10 40 IKCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1 12273896 CNXZVEICEDFKDI-DFBITEFZSA-N 428.966 5.126 10 40 IKCB COc1cc(/C=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc(Br)c1O 14406361 SCDQZZALPCKFNH-ODLFYWEKSA-N 449.300 5.812 10 40 IKCB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1c(O)ccc3ccncc13)CC2 24527563 QYNQDUWCFQODRA-MHZLTWQESA-N 426.516 5.105 10 40 IKCB Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)c3c2C(=O)[C@H]2C=CC=C[C@@H]2C3=O)cc1C 100643758 BPFNGJOREWNVEV-ZEQRLZLVSA-N 448.566 7.145 10 40 IKCB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409188790 GHHFVMWRBYCFFL-DEDYPNTBSA-N 428.941 5.580 10 40 IKCB Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c1 409204782 KDNSDHDSDPNQHM-HYARGMPZSA-N 434.586 5.530 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 409348653 OCYAGEYSHARNOT-NLLJVSSUSA-N 443.546 5.007 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 409360090 OWWALOVDNIMSSN-UDWIEESQSA-N 442.462 6.354 10 40 IKCB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 2234337 OVMTYXTUUIVOPG-FKAPRUDGSA-N 437.524 5.569 10 40 IKCB O=Cc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 8870214 RSLIVRQGSRTZLJ-CYVLTUHYSA-N 433.595 5.296 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN(CC(C)C)CC(C)C)c1O 9075731 BCOBUQGGCGLFPF-UHFFFAOYSA-N 447.579 5.718 10 40 IKCB CCN(Cc1ccccc1)c1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 12565950 UPROVPLVJSDVDL-LTGZKZEYSA-N 428.557 6.338 10 40 IKCB O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)c1ccc(Cl)cc1 35624250 PSBYRURCPADVCG-VGOFMYFVSA-N 443.764 5.193 10 40 IKCB Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 58851295 QIADHIUIMWHFJD-PEBVRCNWSA-N 429.572 7.236 10 40 IKCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222918829 UHAQPZDHJYOUPH-DQEYMECFSA-N 432.637 5.680 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222968965 YMTHHKILMFZSBF-LOSJGSFVSA-N 432.637 5.879 10 40 IKCB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2)N[C@H]1c1ccc(N(C)C)cc1 408991203 PQLHVBQQXRVMLJ-NRFANRHFSA-N 444.000 5.177 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21 409166470 DVXRIKIOZGPRHO-VEVIJQCQSA-N 435.159 6.047 10 40 IKCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c1C 409207637 ZFKPRZKEPWQPNZ-KOEQRZSOSA-N 449.510 6.530 10 40 IKCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)o2)cc1 841377 UVNPTJZROZFPOB-KGENOOAVSA-N 434.879 5.583 10 40 IKCB Oc1c(Cl)cc(Cl)cc1CN(Cc1cc(Cl)cc(Cl)c1O)C1CCCCC1 1679492 VGZBEVNPISKBMY-UHFFFAOYSA-N 449.205 7.046 10 40 IKCB C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@@H](C)O1 2287174 UXLCMHBQTNGESC-QILGALRJSA-N 436.455 5.045 10 40 IKCB Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1C 2700554 FKBBJWKFXANQHP-RGEXLXHISA-N 444.647 5.765 10 40 IKCB OCCN(Cc1cc(C2CCCCC2)ccc1O)Cc1cc(C2CCCCC2)ccc1O 4428727 FJENRHGKJVLIIK-UHFFFAOYSA-N 437.624 6.188 10 40 IKCB Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)c1 19793117 JDFYKGCSEXPONX-UHFFFAOYSA-N 433.426 5.522 10 40 IKCB Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(SCc4ccco4)o3)C(=O)N=C2S1 41108152 UPHAAJAYCZCMAF-MQIWZSEOSA-N 448.529 5.141 10 40 IKCB COCCCc1cc(C[C@@H](C[C@H](N=[N+]=[N-])[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC 95871230 IWZGVPNPTUQYNZ-CDNNERCOSA-N 445.604 5.746 10 40 IKCB CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 107872852 GHIRBSTZMGFBIP-XSFVSMFZSA-N 440.927 5.274 10 40 IKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408762413 KNQDYFPJDROSEV-LFVJCYFKSA-N 443.333 6.981 10 40 IKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 408764838 NKAAWFNMXOAGTA-YBFXNURJSA-N 437.282 5.557 10 40 IKCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409211097 MRBNIVZZQKPBRH-RGVLZGJSSA-N 444.940 5.198 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC 409349131 UOZQJBJLHAHRLX-MOSHPQCFSA-N 445.631 6.002 10 40 IKCB COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CC[C@@H](C)C2 2072948 UNPNJTZSQAKLIL-CYBMUJFWSA-N 444.984 6.301 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21 17221771 WXOBMQBMVPTULF-FRKPEAEDSA-N 436.321 5.705 10 40 IKCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 222788398 PIFBDGOOAPETKQ-JWQCQUIFSA-N 447.652 5.328 10 40 IKCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223058328 VTLGRSSVIXCKKW-ZCYQVOJMSA-N 448.636 5.115 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 409164092 CIFHJEVVJRQFEQ-VEVIJQCQSA-N 435.705 5.846 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 409332211 QJWFERYTSKGRPG-OTGIAGGSSA-N 433.982 5.932 10 40 IKCB CCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1Br 409350537 RWNCKNCOTOIOMT-CXUHLZMHSA-N 438.343 5.393 10 40 IKCB O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc(C(F)(F)F)c1 1024265 KNVWQPGYXKTCNN-WCSRMQSCSA-N 443.855 5.493 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccccc1 3097602 HVZDWTWBSWKKBK-STZFKDTASA-N 448.525 5.580 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1ccc(C)cc1 8407228 CZVKKZVTHBTCRX-JJIBRWJFSA-N 442.515 5.268 10 40 IKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)c2)cc1 9188457 CSLPYWMGKCWAEG-HAHDFKILSA-N 431.582 6.288 10 40 IKCB COc1ccccc1/C=C1/N=C(c2ccc(OC)c(OC)c2)N(c2ccc(C)cc2C)C1=O 11847371 RXAMMFHDWJHJKF-RCCKNPSSSA-N 442.515 5.164 10 40 IKCB COc1ccc2c(CC(=O)OCC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)coc2c1 13017047 ZYMXVQYEJITILZ-UHFFFAOYSA-N 431.488 5.126 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14406621 CKGKBQHFMINXNX-UNOMPAQXSA-N 440.883 5.132 10 40 IKCB O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 59961086 DSKJHKHYNIJGBR-YZUZCNPQSA-N 436.964 5.967 10 40 IKCB COc1ccc(-c2nnc(N/C=C3\C(=O)N(c4cccc5ccccc45)N=C3C)s2)cc1 103785084 GGZMBTUZMITOTA-ZHZULCJRSA-N 441.516 5.085 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 222783042 VKMWVRBMOBFYFQ-NHCUHLMSSA-N 444.526 5.500 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(F)cc1 223345145 POZBHOAIFYTJPA-DNQXCXABSA-N 446.551 5.394 10 40 IKCB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1 408642988 QHPQCYPEMCTMCO-OAQYLSRUSA-N 436.511 5.932 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2sc3ccccc3c2Cl)cc1 408754835 LLPUQVJPEGGNMR-QGOAFFKASA-N 434.973 6.759 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(C(F)(F)F)=NN1c1ccccc1 408973603 ZILGZSFULBZHRZ-STZFKDTASA-N 440.396 5.753 10 40 IKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc2ccccc2c1 409197137 WUMLRRSDQDJVOU-ZTKZIYFRSA-N 440.546 7.466 10 40 IKCB Cc1cccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)c1 409212443 QCOHOIKGJLCJGO-XKZIYDEJSA-N 446.528 5.337 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1 409216363 HPMBHXLEASZRTB-WSDLNYQXSA-N 436.964 6.605 10 40 IKCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1OCC 409339106 DYURGXYABQJVGX-XQNSMLJCSA-N 449.597 6.433 10 40 IKCB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(OCc3ccccc3)cc1)CO2 2113545 FDQMPKQELRXZMV-UHFFFAOYSA-N 449.506 6.190 10 40 IKCB biogenic C/C(Nc1ccccc1-c1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 19645946 SLNHBPUVKBGVMP-OOAXWGSJSA-N 447.513 6.630 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1F 408740688 DGIDDEMIHMPIEF-HYARGMPZSA-N 430.475 6.093 10 40 IKCB Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5ccc(C)c(C)c5)c4C)C(=O)O3)ccc2c1 408757462 XDRFNFRNVIWSHT-YUMHPJSZSA-N 433.551 7.154 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1OCC 408787488 AVKHSXBLQORAKV-PSRBBBRCSA-N 449.547 5.308 10 40 IKCB CCCC[C@@H](CC)Cc1cc(/C=C2\SC(=S)N(CC)C2=O)sc1Br 1776010989 NXNWZIBAKIEINN-QJMZJAKPSA-N 446.501 6.491 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 680471 GBBIIJPCPBJTPN-XYGWBWBKSA-N 440.543 5.275 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)cc(OC)c1OC 2247349 FVKMVARMMKJSGD-NDENLUEZSA-N 437.542 5.271 10 40 IKCB O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 3040886 IEAVLOZWLSVVRQ-HYARGMPZSA-N 432.401 5.473 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCc1ccccc1 6821602 SQAPXVMKDQPEKE-HYARGMPZSA-N 432.907 5.734 10 40 IKCB COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13639425 QXNZFKVUXOSUBA-DXIQSLLYSA-N 441.369 5.042 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c(Br)cc1O 15930496 UDGNFADUUUTKHV-OVCLIPMQSA-N 435.705 5.013 10 40 IKCB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1 15947659 HSXUWTNSYKSWGW-KWKYVRJSSA-N 427.751 5.423 10 40 IKCB CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2c(Cl)cc(Cl)cc12 17003884 BFQDUUJEGDCHOS-CQSZACIVSA-N 438.830 7.271 10 40 IKCB CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S 58822022 PMSOOEPPPQTJES-QGMBQPNBSA-N 433.385 5.827 10 40 IKCB COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58849706 KPDCBOTWBOELFD-LZCXECNNSA-N 446.572 5.631 10 40 IKCB COc1ccccc1/N=N/c1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1C 102992207 VPVOGPDPFXNLDJ-OCEACIFDSA-N 448.435 5.123 10 40 IKCB Cc1cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c(C)n1-c1ccccc1 222563650 ALGDYITXQBQTGB-UHFFFAOYSA-N 434.971 5.950 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1 223094846 MHDHBDSZEYPDMJ-FTJBHMTQSA-N 444.648 6.103 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2[N+](=O)[O-])cc1 408785692 ATGIITBVBLKQDD-XSFVSMFZSA-N 441.443 5.591 10 40 IKCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2Cc2cccc(F)c2)C1=O 408876290 OJWZTGFKCKULDN-FYJGNVAPSA-N 448.881 5.045 10 40 IKCB Cc1ccc(C)c(C2=C/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C(=O)O2)c1 409054580 SVPFFEMKKFZMQS-JJIBRWJFSA-N 432.519 7.017 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cccc2ccccc12 409137192 UMWZIUGFNURRJJ-PCLIKHOPSA-N 444.600 6.864 10 40 IKCB COC(=O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 409156022 KAJQTLBBVMPYOH-UMFSSWHCSA-N 427.569 6.592 10 40 IKCB COc1ccc(C(=O)Nc2cccc(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)c2)cc1 13039037 KCNOPALMYLLWHP-JCMHNJIXSA-N 443.528 5.338 10 40 IKCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl 13600882 BEBLRXIAFOQRIS-CAOOACKPSA-N 440.373 5.412 10 40 IKCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14414478 CGFMVSQBYPWKJB-ZZMKYJANSA-N 439.511 5.913 10 40 IKCB CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)sc2c1CCCC2 101112399 BWLNDJAKXONLHO-SFQUDFHCSA-N 443.956 5.176 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 218978939 JCBZEQJWAKMBFZ-JOCHJYFZSA-N 428.576 5.993 10 40 IKCB Cc1cc(CN(C(=O)c2ccc3nc(Cl)sc3c2)C(C)C)c(C)n1-c1ccccc1 225982498 WETRMOOYJNOEMM-UHFFFAOYSA-N 437.996 6.408 10 40 IKCB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Br 260455487 WUTIBJCFISAVJT-FUHWJXTLSA-N 445.401 5.250 10 40 IKCB CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c21 409041557 WFTYTVNYTPMJTK-NTEUORMPSA-N 447.407 5.780 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409051195 BSQQLSCNLHBVNQ-STZFKDTASA-N 448.469 5.250 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 409135616 RLJPEJBOCLYABH-IWIPYMOSSA-N 436.621 6.834 10 40 IKCB Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(CC(C)C)C3=O)c2C)ccc1Br 409138672 GIFQTACZTWPMGQ-GRSHGNNSSA-N 447.398 5.857 10 40 IKCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=O)c1 409248779 QMFQJUCKVUMLFN-WSDLNYQXSA-N 433.939 5.457 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409341471 BFRPAPZIQZXHTJ-NNLQFVHNSA-N 438.401 6.577 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(F)c1 1060674 VTQLZGLULGXXFO-WQRHYEAKSA-N 426.450 5.400 10 40 IKCB CCCC[C@H](CC)CN1C(C)=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)C=C1C 3181710 WIMNJILXZGLNPV-QFIPXVFZSA-N 431.669 7.602 10 40 IKCB CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(C(C)(C)C)c1O 9188532 KPFMHRKZAHZGPU-UYRXBGFRSA-N 443.609 6.532 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1 9282614 QVZQJIMLPSELLJ-RLPJPJOASA-N 433.581 5.637 10 40 IKCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)no2)cc1C 15833079 UBMJIEUQSICECZ-UHFFFAOYSA-N 429.520 5.460 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1Cl 27519430 SVNWXXOQFVDFBZ-GHRIWEEISA-N 426.730 7.118 10 40 IKCB COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCCOc1ccccc1Cl 70453916 LHGSYFBDHFWWNQ-UHFFFAOYSA-N 446.934 6.496 10 40 IKCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1Cl 96484231 DMWXCVMVLFOJNO-SFQUDFHCSA-N 436.294 6.163 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222880465 KSYBSAWPDKKONL-UKILVPOCSA-N 432.637 5.797 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225014233 CKVJZCVOSKYVBS-JWQCQUIFSA-N 430.621 5.713 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 2165256 ZNYVNHRFSROBOI-NDENLUEZSA-N 443.355 6.642 10 40 IKCB Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)oc2ccc(Cl)cc12 6747972 BUEIZOGQAYYAJZ-FQEVSTJZSA-N 426.944 5.282 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 8819115 KOTAZZFAJAUVTI-BKUYFWCQSA-N 448.569 5.078 10 40 IKCB Cc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=O)N=C3O)c2-c2ccccc2)cc1 8914477 FZBALDFZNFGWAE-UHFFFAOYSA-N 447.494 5.709 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1N1CCCC1 9233373 HGDZPCJYOHNHBW-UDWIEESQSA-N 447.387 6.139 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 15945508 CEQSKBRYFYQAHD-BOOKBWCNSA-N 426.929 5.799 10 40 IKCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 20528401 HHBHBSOKIZCMHB-UHFFFAOYSA-N 447.318 5.351 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccc(Cl)cc3)C2=O)cc1 33650723 YFFCMABWJSKOFO-QGOAFFKASA-N 430.982 5.228 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)S2)cc1 33707058 LOCJRSRMXCMUPP-HYARGMPZSA-N 434.948 6.310 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 35519033 HQCCLTQDBCJHKG-UNOMPAQXSA-N 428.535 5.697 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(C(=O)O)cc3)N4)sc2c1 58851172 OADQNSSFLLYMPT-RNHFSVANSA-N 438.552 6.796 10 40 IKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C(O)=NC1=S 59182273 DVTSSJFOXWCBSW-PXLXIMEGSA-N 435.593 5.629 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830990 WQDMBARHOZBCSR-WQRHYEAKSA-N 442.905 5.914 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc2ccccc12 113831250 UFJIWMFIFCOVSF-LDADJPATSA-N 426.360 6.008 10 40 IKCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O 223562121 POMVDIQAMVGMLL-YODDIOPGSA-N 444.597 5.175 10 40 IKCB COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225016983 FBGQTGUQRHJQBS-DQEYMECFSA-N 446.620 5.413 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)C1 225671036 UIYZBTYTANWULG-WOJBJXKFSA-N 437.653 6.292 10 40 IKCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260839074 HMCIACNNQLQZDF-ISCCLHIJSA-N 434.624 5.837 10 40 IKCB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C 408585964 LTNRDSORPCOVLD-UHFFFAOYSA-N 429.925 5.079 10 40 IKCB Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408877768 UJCUCQZUUIVGQJ-HZHRSRAPSA-N 444.918 5.214 10 40 IKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408901928 IZGRVMRHBWPCMD-XQNSMLJCSA-N 446.641 6.797 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409076323 ANYULCDGFLFTPF-MOSHPQCFSA-N 444.403 5.101 10 40 IKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)c1 409172813 LOXFGLUKENNSDN-CZIZLABSSA-N 429.225 6.747 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)SC1=S 409328966 BEZYSPUUOICBCA-FYJGNVAPSA-N 448.569 5.507 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OCC 409348439 SSARCBQTHZASQI-QNGOZBTKSA-N 443.590 5.679 10 40 IKCB CCN(CC)c1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)cc1 6417494 NLELBJMXLVRQLV-HTAPYJJXSA-N 425.642 6.564 10 40 IKCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)c(Cl)c1 8820353 APAQLOFKPDYCEA-GUSDSWBTSA-N 449.384 5.390 10 40 IKCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)SC1=S 9762410 VEQTZJKGXMYMIA-HMAPJEAMSA-N 434.586 5.817 10 40 IKCB CC(C)c1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc2c1=O 19792859 HFPMUGZCCXOEPI-UHFFFAOYSA-N 447.453 6.029 10 40 IKCB CC(C)c1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 48990178 ZMPAOVMTOWPAIP-UHFFFAOYSA-N 444.984 5.243 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)N21 222702047 UAVJJNWGUZEXSL-YMVVMYQSSA-N 444.648 6.394 10 40 IKCB Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc(F)c(Cl)c1 408635031 WXZRPZDZHSWVFS-JMIUGGIZSA-N 441.915 5.981 10 40 IKCB Cc1sc2nc(-c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)nc(O)c2c1C 408735089 NSILHBLWZQOHMD-UHFFFAOYSA-N 425.557 6.755 10 40 IKCB COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4/C(=O)Nc5ccccc54)c3C)cc2)cc1 409193832 FQMKQGJDYTTWPW-YZSQISJMSA-N 436.511 6.388 10 40 IKCB CC(C)CC(=O)N1CCCCCCCCN(Cc2cccc(F)c2O)Cc2ccccc21 643559085 LGGDBVSPRBZPCN-UHFFFAOYSA-N 440.603 6.267 10 40 IKCB O=[N+]([O-])c1cccc([C@H](Nc2nc3c(s2)CCCC3)c2ccc3cccnc3c2O)c1 2708556 WWTYYBWCJMFCHT-FQEVSTJZSA-N 432.505 5.385 10 40 IKCB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2 2755708 KGXLDPOLPLEHKB-DLBZAZTESA-N 447.597 5.360 10 40 IKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 9293607 KJNSWURSVOVVOB-PWSGBSGUSA-N 439.972 5.475 10 40 IKCB Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 34887788 MVYPVUVAHHPUJW-UQQQWYQISA-N 434.495 5.189 10 40 IKCB COCc1cc(C)nc2sc3c(=O)n(-c4ccc(/N=N\c5ccccc5)cc4)nnc3c12 100101313 QZGYMRHFVTUBMG-QPLCGJKRSA-N 442.504 5.261 10 40 IKCB C[C@@H](NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 110493814 ZUDWFZUHOPRPLS-ZSGKXZEHSA-N 448.567 5.266 10 40 IKCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408647003 QZIKOWMDWRYKFP-UHFFFAOYSA-N 440.499 5.682 10 40 IKCB CC1(C)OC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)O1 408731019 IJFCTRKCCYXQSX-UHFFFAOYSA-N 449.506 6.031 10 40 IKCB COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)c1 408751880 DIGKPORKLPPNDE-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2Br)c1C 409002816 WNQRYYPNPNJLFR-XSFVSMFZSA-N 434.337 5.663 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409199274 BYHJJDGGZQFQDB-PXLXIMEGSA-N 446.528 5.071 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl 409238164 WADWZFRAYGQEKC-XBUHWIKASA-N 447.318 5.146 10 40 IKCB CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O 409344675 GHSRXVWSAGJCHY-XKZIYDEJSA-N 449.553 5.763 10 40 IKCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(C)c1 1262984 ONRQHYUWQONMEO-SQBXPZIGSA-N 436.602 5.480 10 40 IKCB CCCn1c(NCc2cc(Br)cc(Br)c2O)nc2ccccc21 1310278 BPVKCROQYPSVMS-UHFFFAOYSA-N 439.151 5.289 10 40 IKCB COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S 2381786 RTLXZCYIKNAANI-JXAWBTAJSA-N 446.619 5.157 10 40 IKCB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=S)N1Cc1ccccc1 2713625 IJSLMXBMQJFUTA-IWIPYMOSSA-N 440.593 6.727 10 40 IKCB CCN(CC)c1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)cc1 6417489 NLELBJMXLVRQLV-VGSWGCGISA-N 425.642 6.564 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 8425961 FDLIDSSHLDAKTN-BVMUCEKZSA-N 431.963 6.411 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)SC2=S)cc1 16292355 AAGZKBPPAWKFSH-UCQKPKSFSA-N 449.572 6.115 10 40 IKCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1 20324929 MZVCUHRMZKNDMF-MOSHPQCFSA-N 437.611 6.595 10 40 IKCB CCc1ccccc1N1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C1=O 34808290 ZUDCCUWEPMYATG-CJLVFECKSA-N 441.531 5.726 10 40 IKCB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1c(C)cc(C)cc1C 100524908 LUSCOIQLEKZFLW-VQERKYHCSA-N 448.508 5.519 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1 223494000 NHBSSFBVHUHYPA-DQEYMECFSA-N 439.588 5.057 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)S2)cc1 408785575 HOVNACXJZWTZTJ-GTWFGUSFSA-N 431.605 5.819 10 40 IKCB Cc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1C 408931068 GRWJEEZVXVSZJZ-XKZIYDEJSA-N 433.939 5.457 10 40 IKCB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)cc1 409211821 KEXKCTPQRPONAL-XKZIYDEJSA-N 446.528 5.337 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 409229594 RQAYGPALOOMMPF-KGENOOAVSA-N 448.931 5.466 10 40 IKCB O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccc(Cl)cc1Cl 1452282 VFAPTMVPRNRZCO-APSNUPSMSA-N 448.356 5.021 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc12 2064096 RZIGUFITZCMEIG-UHFFFAOYSA-N 428.484 5.563 10 40 IKCB COc1ccccc1Oc1c(C)oc2c(CN(C)Cc3ccccc3)c(O)ccc2c1=O 2419074 HOZBPQCXNCLROF-UHFFFAOYSA-N 431.488 5.240 10 40 IKCB biogenic CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1 9293300 LXRUUBVMKDKWSU-GNMKNICSSA-N 433.581 5.520 10 40 IKCB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(-n2c(C)c(C)c3ccccc32)c1O 16779664 SHGRTKLYBFBVQC-UHFFFAOYSA-N 440.952 5.716 10 40 IKCB Oc1c(CN2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cccc1C(F)(F)F 169424620 PXTJYUCVGRMOBC-JOCHJYFZSA-N 427.466 5.312 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C 222703192 JDQONKJAVOYORL-DSBYRVASSA-N 444.648 6.339 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1O 223098495 WYLROHGWWMZNCF-LOSJGSFVSA-N 446.620 5.500 10 40 IKCB C[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 225671284 DWIPCJOVSVZERK-MOPGFXCFSA-N 436.625 5.097 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c1C 408807290 GWWNFJCGPCVZOD-UHFFFAOYSA-N 440.951 5.958 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O 409342203 CTORXFLBKJKXEN-PXLXIMEGSA-N 437.561 6.564 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(C)C 409349612 VOJFVFJKVZKEPX-RGVLZGJSSA-N 448.009 6.179 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 9188456 HCWAMXRZUCQVCW-HAHDFKILSA-N 431.582 6.288 10 40 IKCB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1Cc1ccco1 26965643 NLPGGHIKSQJDGH-UNOMPAQXSA-N 449.582 5.595 10 40 IKCB Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(/[N+]([O-])=N\c4ccc(N)cc4)cc3)cc2)cc1 100368251 VZUJZZLOFGSASY-YFGNAISGSA-N 436.479 7.608 10 40 IKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 201254586 QZYBYGKOQJQODW-JPUYLNEOSA-N 428.492 5.842 10 40 IKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2C(C)=CC1(C)C 208510031 GUTBCUFGZXHVEA-XKZIYDEJSA-N 436.552 6.084 10 40 IKCB C[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 218203346 INIWEZKKWNDJGP-SJORKVTESA-N 435.008 5.826 10 40 IKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225014836 QTRLXUZRUQQMKM-IZZNHLLZSA-N 444.648 5.967 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC 409330183 KHHRWULAKSTWEM-PDGQHHTCSA-N 433.982 5.852 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(C)C 409330636 LEGAFBXQZKARFE-FYJGNVAPSA-N 427.591 5.834 10 40 IKCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 646151 JYWBBHQMIZZTQG-IXFSTUDKSA-N 427.375 6.446 10 40 IKCB CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21 8935286 HIMBFNXQVZJWIJ-BVMUCEKZSA-N 442.515 5.666 10 40 IKCB COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OC 13750201 SWGHJPVHYDIAPY-NVNXTCNLSA-N 426.346 5.416 10 40 IKCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 58837603 XAYGFCHQPYPKNJ-SLSDLSHTSA-N 431.919 6.444 10 40 IKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2ccccc2Cl)cc1 112293611 WRHOZPSRFPDPBD-QJOMJCCJSA-N 431.923 5.163 10 40 IKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1C 222924321 NVWJVFAIAPZSCL-DQEYMECFSA-N 432.637 5.734 10 40 IKCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc21 223518202 GJCDVPCOSOFIER-UCQKPKSFSA-N 432.589 6.646 10 40 IKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccccc1Br 408584706 UATHHIHUBNJIHP-JXAWBTAJSA-N 430.342 5.012 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)S2)cc1 408776675 PLUWXCDSNQUNFQ-LMSRTUJASA-N 431.605 5.873 10 40 IKCB COc1cccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)c1 408841721 KAUGGIYHQWPFIX-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 6974561 QHNRZILIHSUWLA-YRNVUSSQSA-N 434.258 5.467 10 40 IKCB Cc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 9679298 WQRSAFBAWFYWDK-QJOMJCCJSA-N 447.581 5.859 10 40 IKCB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 13602712 JODSGVVAMBHKOV-NVNXTCNLSA-N 440.424 5.028 10 40 IKCB Brc1ccc(-c2cnc(SCc3ccccc3)n2Cc2ccccc2)cc1 44086413 SLAZECLJBLRKSQ-UHFFFAOYSA-N 435.390 6.653 10 40 IKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)SC1=S 108271385 XUJJBOQQBWEMGS-HAHDFKILSA-N 448.613 5.894 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1OCC 409331888 PGLMXFJSVDVJJR-LDADJPATSA-N 449.981 5.552 10 40 IKCB COc1ccc(OC)c(NC(=O)c2c(NCc3cccnc3)sc3c2CCCCC3)c1 920929 ZWHNFCCLXDJLEJ-UHFFFAOYSA-N 437.565 5.294 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)ccc1OCc1ccc(C)cc1 1795100 DKVOODANIVTKOC-CPEHUTGBSA-N 441.618 5.972 10 40 IKCB Cc1ccc(COc2ccc(Br)cc2/C=C2/SC(=S)N(C)C2=O)cc1 9236622 RRJUOOZQTBBOFY-LICLKQGHSA-N 434.380 5.168 10 40 IKCB O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccccc1 9763755 OGHUJLOPOKPIEK-UCQKPKSFSA-N 444.556 6.235 10 40 IKCB O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1C1CCCCC1 59418185 VQUUMCUGEAHBPU-KGENOOAVSA-N 427.566 5.939 10 40 IKCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(C)c3C)C1=O)[C@@H](C)CC(C)(C)N2C 208236834 XLUOAMHMIONCAQ-RSZPVBOMSA-N 445.563 5.000 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccn1 223086874 PSOWXIVHAQFIHS-DNQXCXABSA-N 431.609 5.189 10 40 IKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)c(OC)c1 408766998 URMRCGVQVPETQR-FYJGNVAPSA-N 436.870 5.331 10 40 IKCB CCOC(=O)C1=C(C)N=C(SCc2ccccc2Cl)N[C@H]1c1ccc(N(C)C)cc1 408985378 ARUVEZJIRIXDFL-NRFANRHFSA-N 444.000 5.177 10 40 IKCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 208638183 DOQQZMMCMBTWIG-PXNMLYILSA-N 426.346 5.070 10 40 IKCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223058386 VTLGRSSVIXCKKW-NOZRDPDXSA-N 448.636 5.115 10 40 IKCB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1F 224915134 HVRBFAVCMXZNOH-JWQCQUIFSA-N 442.563 5.805 10 40 IKCB Cc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(Br)cc2)cc1 408755232 IUDMICSOXFDGHU-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(C)n(C(C)C)c2ccccc12 409047350 MJHKBUSUPQTMTL-ZROIWOOFSA-N 447.407 6.032 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1Br 409051566 BGOVOSIKRGCMFX-QGOAFFKASA-N 449.300 6.231 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2[C@@H](C)CCC[C@H]2C)c1O 2666247 FIQZJFNKDJRREJ-IYBDPMFKSA-N 448.588 6.101 10 40 IKCB biogenic O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)c1 8400748 SKWLNMWQXAJQRN-LICLKQGHSA-N 443.242 5.049 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1OCc1ccccc1 8425790 RCMYFHYALKEBPV-BUVRLJJBSA-N 426.516 5.697 10 40 IKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc3ccccc3c2)C1=O 8763469 ACAOGFHQTIJNKN-MTPWMXCOSA-N 444.581 5.626 10 40 IKCB C/C(Nc1cccc2ccccc12)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 19647154 RCLHKMNUEFDHQZ-BWAHOGKJSA-N 448.482 5.885 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 34721133 FDPOXDUIOHZXDM-QCYQHFLCSA-N 425.945 5.023 10 40 IKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1C(F)(F)F 35110796 UVVUFTMPYADRAA-RGEXLXHISA-N 437.417 5.736 10 40 IKCB O=C1C(=Cc2c(O)ccc3ccccc23)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 59391349 NBGVXHRIQZCGKR-UHFFFAOYSA-N 434.451 5.129 10 40 IKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F 100423131 UHABJYDDFKLMEZ-BOPFTXTBSA-N 432.427 5.304 10 40 IKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3SCc3ccccc3)cc2)C1 218607352 OEQHWTBMNZWZLS-FGZHOGPDSA-N 444.644 6.706 10 40 IKCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2Cc2cccc(F)c2)C1=O 408882290 MHJPRMUIQKNAMW-KGENOOAVSA-N 448.881 5.045 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 408936444 GKQNAXZDAPSJTB-FYJGNVAPSA-N 448.881 5.500 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(CC)cc3)C2=O)cc1 408983867 DRFFCWGBGJUXPX-OQKWZONESA-N 429.947 6.772 10 40 IKCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1 409339633 XJEJHGKJIIPNNG-SRZZPIQSSA-N 449.509 5.284 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1 6142441 OSOXXRPXUJVZII-IMRQLAEWSA-N 446.554 6.469 10 40 IKCB Oc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)[nH]2)cc1O 9434181 MGTJTRVYGLVRGM-UHFFFAOYSA-N 434.520 7.190 10 40 IKCB Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(C)c1 9444577 KTBQOKFPNMOWBU-LDADJPATSA-N 445.009 5.495 10 40 IKCB CC(C)c1ccc(NC(=O)COC(=O)c2ccccc2/N=N/c2ccc(N(C)C)cc2)cc1 12601375 ADPLBOAWGFPFTI-ZQHSETAFSA-N 444.535 6.087 10 40 IKCB Oc1ccc2c(c1)oc1c(-c3ccc(O)c(O)c3)c3c(O)nn(C4CCCCC4)c3nc12 95472700 WTOMVYCDZWTKMV-UHFFFAOYSA-N 431.448 5.325 10 40 IKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCc2ccccc2Cl)cc1 112294369 NJFFXOBBEJTZPZ-KQWNVCNZSA-N 449.913 5.302 10 40 IKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222924409 XIQROCKVNOGWQP-JWQCQUIFSA-N 432.637 5.734 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3cccc(OCc4ccccc4)c3)cc2)C1 260577833 MZRZLTGBYHJCPF-VXKWHMMOSA-N 428.576 5.993 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2F)cc1 408754327 MSFVGWLJOQNTHM-CIAFOILYSA-N 441.289 5.976 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC(C)C 409339665 KGHPGRPTPDWZKN-ODLFYWEKSA-N 431.604 5.610 10 40 IKCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 1406670 PZEVSSWRIKCQCL-HYARGMPZSA-N 442.927 5.478 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC[C@H]2CC)c1O 2201168 VCRHLVZKHTUHEI-QGZVFWFLSA-N 448.588 6.102 10 40 IKCB biogenic O=C1N=C(O)/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccccc1 8768559 SGBFOKFFNWJOAV-RGEXLXHISA-N 432.863 5.426 10 40 IKCB O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccc(/N=N/c2ccccc2)cc1 12616859 NDAIFOTUHXLYHQ-CYYJNZCTSA-N 425.847 5.619 10 40 IKCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 51364655 ABIROKYSYCPCRT-MLJKTZRHSA-N 441.452 5.030 10 40 IKCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c2cccnc12 260742561 XJMKOVXAGKYEIN-ZWKOTPCHSA-N 434.609 5.527 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2F)cc1 408761238 DFBLLVJDXSELCJ-HZHRSRAPSA-N 446.478 5.076 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc2ccccc2n1Cc1ccccc1F 408938656 QUWLOWXOEPYUOD-XQNSMLJCSA-N 437.474 5.271 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 408998342 BBJCQZUWCDIZRH-LDADJPATSA-N 439.334 5.999 10 40 IKCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)C(C(=O)OC)=C2C)cc1 409024923 ZAYGRLSSPQTMTH-JWGURIENSA-N 447.531 5.038 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)N1CCCC1)c(O)c1ccccc12 1448581 VNIJOMPBTBUBBP-XMMPIXPASA-N 429.516 5.962 10 40 IKCB CCOc1ccc(/C=C2/SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1 2319324 FULHIMNNQRTLPO-HKOYGPOVSA-N 443.572 5.031 10 40 IKCB COc1ccc(-c2ccc(C(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 2395830 HAPRPPPTPMZANX-UHFFFAOYSA-N 446.494 5.472 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 8763600 ICANFXDIMLZIQX-ZROIWOOFSA-N 442.345 5.319 10 40 IKCB O=C(NC1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O 9660240 ICQICKUAMZBPHQ-FQEVSTJZSA-N 442.357 5.348 10 40 IKCB CCOc1ccc(/N=N/c2c(-c3ccccc3)nn(C(N)=S)c2-c2ccccc2)cc1 16930186 KDKWRQQOSDIUGF-CYYJNZCTSA-N 427.533 6.123 10 40 IKCB CC1=NN(c2ccccc2Cl)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1Cl 17094301 MPZZRFWGAOHZDM-PDGQHHTCSA-N 425.319 5.602 10 40 IKCB CN1CCN([C@H](c2ccc(Cl)cc2Cl)c2cc(Cl)c3cccnc3c2O)CC1 20265763 JCEPSTIDMNPORW-HXUWFJFHSA-N 436.770 5.237 10 40 IKCB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2Cc2ccco2)cc1 44086167 HLCKXCPESADUMG-UHFFFAOYSA-N 433.533 5.239 10 40 IKCB O=S(=O)(O)c1ccc2c(/N=N\c3ccc(/N=N\c4ccccc4)cc3)c(O)ccc2c1 104388953 ANKNQAUREHXSDZ-RUFRKCMOSA-N 432.461 6.623 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 222966624 BHADTTMYQOCMRW-RPWUZVMVSA-N 434.609 5.270 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222970342 OJUSNJYRXMVZTA-AOYPEHQESA-N 446.664 6.187 10 40 IKCB CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 19634202 GWUPZHJAPHVYDK-BWAHOGKJSA-N 441.531 5.403 10 40 IKCB CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 35043040 ONPLYDWYQKOLKS-JCMHNJIXSA-N 447.516 6.280 10 40 IKCB COc1cc(/N=N\c2c(O)nc3ccccc3c2O)c(OC)cc1/N=N\c1ccccc1 102748997 DHQPPOYLOLLOCW-FNBANUKLSA-N 429.436 6.494 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222620458 VBVDBWUUKPHVLF-UODBTFMRSA-N 430.621 5.949 10 40 IKCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)CC)C3=O)c2C)cc1 409020524 QEWBVLMTQITNKV-ZXOFLVKFSA-N 426.538 5.106 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 409199007 MXYDXYUJFJZHCS-BOPFTXTBSA-N 434.380 5.644 10 40 IKCB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409342354 DMXUXPUJQQYTHX-AWNIVKPZSA-N 427.290 5.013 10 40 IKCB CCOc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1Cl 8612153 WFPYRKJDBORZLX-UHFFFAOYSA-N 447.362 5.894 10 40 IKCB aggregator COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3O)C2=O)cc1Br 9934640 PPBAOGAVTSUPMQ-AQTBWJFISA-N 448.316 5.635 10 40 IKCB CSC(=S)n1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)c1C 17129930 WXPLEQHSOIFUEZ-QZQOTICOSA-N 431.384 6.532 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 33437890 QRGHLOGNCJIGRQ-MHHBVAOCSA-N 439.972 5.557 10 40 IKCB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Br 218828834 WUTIBJCFISAVJT-AEFFLSMTSA-N 445.401 5.250 10 40 IKCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1 225017030 WDUMEKQCMWLQMW-JWQCQUIFSA-N 446.620 5.413 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3OCc3ccccc3)cc2)C1 260577490 ABLUZJGRNXRVRJ-FCHUYYIVSA-N 428.576 5.993 10 40 IKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(C)ccc4C)c3C)N21 260772254 NFAFOEULHVJDBZ-YNJKOYDBSA-N 430.621 6.085 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(C)cc2)cc1 408754328 QFNGBLPIJGZOJC-XIEYBQDHSA-N 425.532 5.294 10 40 IKCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1 408986056 OQPYPQJRYFATDB-WOJGMQOQSA-N 436.294 6.163 10 40 IKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409023159 WOGFPZOTABGMJZ-ULJHMMPZSA-N 425.484 5.143 10 40 IKCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)S1 409025547 XBMVMLKBINQVCJ-MTJSOVHGSA-N 436.920 5.179 10 40 IKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)o2)c([N+](=O)[O-])c1 8821539 SIKPBFFGIHNPKU-VCHYOVAHSA-N 426.475 5.158 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCCC(C)(C)C2)c1O 8964574 IUFYMYYNJLQFDK-UHFFFAOYSA-N 445.563 5.237 10 40 IKCB biogenic O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 12375670 FSJSKGPHUKTDIJ-BWACUDIHSA-N 438.243 5.993 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 101894320 NIQKTNDNVGZKMI-HYARGMPZSA-N 447.878 5.633 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1O 225016516 VIDHFZHLDJDYNA-DNQXCXABSA-N 432.593 5.110 10 40 IKCB COc1ccc2cc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)c(Cl)nc2c1 256055924 ZDPPVPBGCIZUCG-IUXPMGMMSA-N 428.922 5.008 10 40 IKCB CC(=O)Oc1c(Cl)cc(Br)cc1/C=C1/C=C(c2ccc(C)cc2)OC1=O 408742120 NCLJWKVSPLODBE-CHHVJCJISA-N 433.685 5.318 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl 409012253 PRAZGDHCGIZROH-LDADJPATSA-N 426.303 5.498 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)ccc1Cl 409172622 DRSBWDLSVUKOQO-FHAGJXEFSA-N 448.975 7.367 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 409341315 AZVUQHGLBUOMQX-LPXFMOJISA-N 433.982 5.932 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F 1011191 JGJWIKTXDAZMNW-MTJSOVHGSA-N 440.927 6.123 10 40 IKCB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1 8674143 PFQNHRYYMFBGDS-SGIRGMQISA-N 434.536 5.761 10 40 IKCB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1 14479985 XBQNKQIEIQCBNQ-CLCZQPDDSA-N 444.600 6.239 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)c(O[C@H](C)CC)c(OC)c3)S2)cc1 33628860 KBSISCFRKOEWOL-KELUXRKGSA-N 444.984 6.171 10 40 IKCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 35646423 JLRLGPHLKVEXCE-WQRHYEAKSA-N 441.306 5.497 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccccc3Cl)N4)sc2c1 58851124 DKYOWIJQTUPZJI-FUMQJTLXSA-N 428.988 7.752 10 40 IKCB Cc1cc(C)c2c(c1)N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 58928557 GCSGBHMZOVNOBA-DXBVXKBHSA-N 426.516 6.617 10 40 IKCB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)O)o1 408631491 JOPXIZXZUFBEJI-PXNMLYILSA-N 438.336 5.564 10 40 IKCB O=C(Nc1ccc(F)cc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408734722 CJCRMZYSMIEYRO-UHFFFAOYSA-N 432.458 6.873 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2sc3ccccc3c2Cl)cc1 409002459 ZZUMPBSYGYLRPM-HMMYKYKNSA-N 428.944 6.698 10 40 IKCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 409124396 HEXGXCZCQYMFDB-MHWRWJLKSA-N 425.337 5.084 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)ccc1Cl 409154641 KNYZMOBCUYZKAV-RVPKQNPDSA-N 429.225 6.747 10 40 IKCB CCOc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CC[C@H](C)C2 2072943 QIGADTORCOEIPM-HNNXBMFYSA-N 440.634 6.506 10 40 IKCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2cc1Cl 8612167 PPUDNSIDHWHEDR-UHFFFAOYSA-N 436.939 6.205 10 40 IKCB aggregator CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 8872980 FKAYVIKOVGQXFK-MOHJPFBDSA-N 439.511 5.533 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(F)cc1 8983815 QYYDVFWSLIYPGB-HZHRSRAPSA-N 430.479 5.610 10 40 IKCB CCN(CC)c1ccc(CN(C(=O)c2ccc(Br)o2)c2ccccn2)cc1 28291163 PECJRLMHACUCGK-UHFFFAOYSA-N 428.330 5.130 10 40 IKCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)o1 409330688 MAQORXYSZFTFSX-YBFXNURJSA-N 439.489 5.498 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OC 409351261 SRRYCXWGDHDGJO-MFOYZWKCSA-N 440.373 5.807 10 40 IKCB COc1cc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc(OC)c1OC 846836 DQCPQSBZPWAWPX-VWLOTQADSA-N 443.499 5.091 10 40 IKCB biogenic,in-vitro O=C1C(=CNc2ccc(F)c(Cl)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 2260747 KVVZOCNANMEHTK-UHFFFAOYSA-N 447.938 5.231 10 40 IKCB COc1ccccc1/C=C1\SC(=S)N(CCCCCCCCCCC(=O)O)C1=O 8765554 RNKYEPNINMTQDA-MNDPQUGUSA-N 435.611 5.492 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1 35039311 NBXJNDCLZYPJMJ-LFVJCYFKSA-N 445.609 6.542 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 100317641 ZAIUFZUAZXBEOP-DEDYPNTBSA-N 449.919 6.206 10 40 IKCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C 409011343 HGNFAABRKGVJOV-UCQKPKSFSA-N 434.580 5.430 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 409154798 HMNQUAMFGCMYDS-JQYIIUTOSA-N 428.557 7.022 10 40 IKCB O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)c1ccccc1 409177498 BLVNXFALRIGDEZ-LDADJPATSA-N 440.933 5.146 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(I)cc2)SC1=S 409348655 ODQMCBVLLSJSHO-GDNBJRDFSA-N 437.327 5.005 10 40 IKCB O=C1C(=Cc2cccs2)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2532802 YDVPUGLYBAAASS-UHFFFAOYSA-N 443.311 5.638 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCCC(C)(C)C2)c1O 9073647 GSAOMYVJVXLGGW-UHFFFAOYSA-N 431.536 5.226 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1Cl 9290983 HOIJQIDRIPRLCT-HTYYESGYSA-N 425.945 5.023 10 40 IKCB COc1ccc(Cl)cc1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 13566433 MWCUIUBFRQKIRS-UHFFFAOYSA-N 427.869 5.029 10 40 IKCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1cc(C)c(C)s1 36366854 FFGASHHZOXFFQI-UHFFFAOYSA-N 446.576 5.386 10 40 IKCB O=C1/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC(=S)N1Cc1ccccc1 38169926 UJKYIIBCDSZFTA-QNGOZBTKSA-N 437.524 5.502 10 40 IKCB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2 58846056 IFHRIQATNSVLSQ-QHWMMSMNSA-N 444.600 6.185 10 40 IKCB O=C(Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1)c1ccccc1 103754865 BAISRNDXBKFWNI-LHLOQNFPSA-N 444.490 5.740 10 40 IKCB CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 103921007 MDSQOTTYIABGAS-QJOMJCCJSA-N 442.475 5.131 10 40 IKCB COc1ccc(C2=C/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)O2)cc1 408741884 LTQIEMZWLAAESW-XSFVSMFZSA-N 425.459 5.819 10 40 IKCB CCCOc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(C)=C2C(=O)OC)cc1OCC 409021972 BEVSEVUWYHNOFQ-JCMHNJIXSA-N 449.547 5.368 10 40 IKCB COc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S 409202197 PYGZWIZXSRJSQE-CHHVJCJISA-N 441.317 5.316 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@H]1CC=C[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8443285 LWUPMVGMGQEQBX-WPUDHWPRSA-N 448.360 6.042 10 40 IKCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 9712609 UMJPFLNBGLTCND-GOSISDBHSA-N 448.573 5.212 10 40 IKCB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(-n2c(C)ccc2C)cc1OC 12462467 FEPVWASBDHGQJJ-UHFFFAOYSA-N 432.520 5.268 10 40 IKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 16525760 JSERCKOEOLWHLT-HMAPJEAMSA-N 442.521 6.307 10 40 IKCB CCOC(=O)c1c(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)sc2c1CCCC2 100535687 ICEAPJRSKQAHBI-ATVHPVEESA-N 443.956 5.176 10 40 IKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2C(C)=CC1(C)C 208532580 ZVTWHKCAHMWRIA-XKZIYDEJSA-N 433.527 5.249 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408585437 DSKNQOODRIWMRT-SXGWCWSVSA-N 447.274 5.087 10 40 IKCB CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(C(=O)OC)=C1C 408780372 XVQGGXJTTZBAEN-YVLHZVERSA-N 433.335 5.093 10 40 IKCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 409140267 QVOOQPLSRSSZQS-RQZCQDPDSA-N 425.337 5.084 10 40 IKCB Cc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S 409341962 AULGGNNCEPXEDL-IUXPMGMMSA-N 429.364 5.645 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1C 8674144 SHAOQNRSKRYIJH-PPJWLVRDSA-N 448.563 6.070 10 40 IKCB aggregator COc1ccc(C(=O)Nc2cccc(/C=C3\SC(Nc4ccccc4C)=NC3=O)c2)cc1 13030174 UTCCNTNHSZULHU-JCMHNJIXSA-N 443.528 5.338 10 40 IKCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13914915 DOBLKSVRRRSTEJ-YBFXNURJSA-N 434.536 5.492 10 40 IKCB Cc1cc(/C=C2\C(=O)N(C3CCCCC3)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1 17247404 SDVQGNSTKALOJM-MOSHPQCFSA-N 441.984 5.547 10 40 IKCB O=C1/C(=C\Nc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 100057371 CJODOKQNVIWLQR-WQLSENKSSA-N 445.184 5.163 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1 103919322 FYIVPRYWDAIGBE-UYRXBGFRSA-N 448.401 5.382 10 40 IKCB COc1cc(N2N=C(C)/C(=C/Nc3c(Cl)cc(Cl)cc3Cl)C2=O)ccc1Cl 408530649 JKUPKJIHIZDUMB-WQLSENKSSA-N 445.133 6.027 10 40 IKCB COc1ccc(C2=C/C(=C/c3cc(Br)cc(Cl)c3OC(C)=O)C(=O)O2)cc1 408741846 LLJGPFZTCOFCID-AUWJEWJLSA-N 449.684 5.018 10 40 IKCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3cc(C)cc(C)c3)cc2)C1=O 408878833 CEZKFROYNWQRIP-ULJHMMPZSA-N 438.527 5.123 10 40 IKCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 408911333 MYUWGWXSZQTIRO-GDNBJRDFSA-N 445.233 5.059 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409061749 HFNZLFFZKHNJOH-HAHDFKILSA-N 436.527 5.239 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 409163770 XPZVUGWBHURBQB-MVERNJQCSA-N 428.557 7.022 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OC(C)C 409346227 MZKNHMVHFNXHHG-DEDYPNTBSA-N 429.563 5.287 10 40 IKCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1c(Cl)cccc1Cl 1438713 MMYXHHIESVVRMQ-UHFFFAOYSA-N 447.303 5.429 10 40 IKCB COc1cc(OC)c(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1Cl 2120725 HRAPQPBKNRXQGP-UHFFFAOYSA-N 441.911 5.007 10 40 IKCB biogenic Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1 4048160 MWPIHIXYMYKFQK-ZJNRKIDTSA-N 442.127 6.425 10 40 IKCB O=C(Oc1cccc(/N=[N+](\[O-])c2cccc(OC(=O)c3ccccc3)c2)c1)c1ccccc1 13403741 GBGBDJNKPGJLQV-DQSJHHFOSA-N 438.439 6.051 10 40 IKCB CCCCCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2cc(NC(C)=O)ccc21 13426764 SNNOWWBLVVQCMC-UHFFFAOYSA-O 446.640 6.515 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(C)c4)C(=S)N=C3O)c2C)cc1 13749957 MNPJKTMDXXDGBM-HMAPJEAMSA-N 429.545 5.383 10 40 IKCB Nc1ccc(/N=N/c2ccc3cc4ccc(/N=N/c5ccc(N)nc5N)cc4nc3c2)c(N)n1 18251933 RKDJPLAXPITDOD-FMWAKIAMSA-N 449.482 5.338 10 40 IKCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 58054453 BUUNDDNUURCDHV-UHFFFAOYSA-N 444.362 5.420 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc2ccccc12 222825926 UBUUNYCRCJQQGR-UIOOFZCWSA-N 440.616 6.023 10 40 IKCB COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2cccc(Br)c2)cc1 408763768 JYNMZPGALWRDSZ-CPNJWEJPSA-N 439.334 5.354 10 40 IKCB O=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1cccc(Cl)c1 408974995 IJGDMWBCJIZTDD-UHFFFAOYSA-N 434.882 6.962 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 409201670 XEFOPRFHBPKZCO-PDGQHHTCSA-N 448.407 6.034 10 40 IKCB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1cccc(F)c1O)CCOCCO2 643565676 GZOMBORHWFAZPI-UHFFFAOYSA-N 449.566 5.657 10 40 IKCB Cc1ccccc1-c1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)o1 3203254 SAGJMFPBBYQGEI-JJIBRWJFSA-N 443.572 5.356 10 40 IKCB Cc1ccnc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)n1 5389938 JUTRAKXMMVWOIP-UHFFFAOYSA-N 441.516 5.031 10 40 IKCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1C1c2ccccc2Oc2ccccc21 17288262 WMMQGHLXLYYTOX-DEDYPNTBSA-N 435.957 6.437 10 40 IKCB Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 33591359 MXVSINQESPHTPC-FPYYEXTBSA-N 439.972 5.331 10 40 IKCB CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CCC)C3=O)o2)cc1 33854973 XAGUDWHGSFIVCR-RGEXLXHISA-N 429.563 5.515 10 40 IKCB CC(C)n1nc(O)c2c(-c3ccc(F)cc3Cl)c3oc4c(O)c(O)ccc4c3nc21 95475643 MXKKNSDRSCJCAX-UHFFFAOYSA-N 427.819 5.488 10 40 IKCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144218595 ZGKFQUNGTMCIKE-BKUYFWCQSA-N 433.489 5.552 10 40 IKCB CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 208845667 PBSNBAQSOZBUFV-LDADJPATSA-N 443.341 5.443 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222927599 VAQBUQUPGMBHAO-RSXGOPAZSA-N 446.664 5.988 10 40 IKCB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C 223297105 VKCKBFQHIQTPTI-QUCCMNQESA-N 444.641 5.403 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1C 408738050 IIFWFVKQADQLRB-RCCKNPSSSA-N 430.345 6.537 10 40 IKCB O=C1/C(=C\c2ccco2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 408841508 HJWJWVMQTBTYDQ-LDADJPATSA-N 427.685 5.530 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 409052180 GNAUTULNHUXBSO-NDENLUEZSA-N 436.514 5.565 10 40 IKCB CCCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)SC1=S 409326448 BVDBHAJTOGAKJY-LDADJPATSA-N 433.982 5.539 10 40 IKCB CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccccc1Cl 3771149 DCSVMWNEJRDCRA-UHFFFAOYSA-N 442.895 5.071 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(C)c1 8453156 UKOGXBKIXPPTOS-LFVJCYFKSA-N 426.516 5.779 10 40 IKCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c(C)c2cc1Cl 8613822 IHYMYVXTZIQQFX-FQEVSTJZSA-N 440.971 5.590 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 8821748 POVIFSVLOWWURN-JLPGSUDCSA-N 428.557 6.219 10 40 IKCB Cc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)c(C)n1C[C@H]1COc2ccccc2O1 13068671 MEHNGDPUHLZVNS-YTLMXASBSA-N 445.544 5.027 10 40 IKCB Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)c1 19791776 JJCYRYOLVFFJQF-UHFFFAOYSA-N 433.426 5.604 10 40 IKCB biogenic CC1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)cc2)CC1 44854991 SUSLUMYUGIEJDS-XZOQPEGZSA-N 433.640 5.646 10 40 IKCB CCCCOC(=O)c1cc(N/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1Cl 95471601 QXDMDMAJERMSLC-CPNJWEJPSA-N 446.334 5.669 10 40 IKCB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(N(CC)CC)cc1 102788952 LMCNORUSFYPUTC-HHHXNRCGSA-N 445.607 6.735 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1 223094421 HPTLWIODRHCZHX-DQEYMECFSA-N 430.621 5.794 10 40 IKCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 408736201 KZJCTVKFHZUHHW-SLSDLSHTSA-N 432.907 6.654 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(Cl)c1 408946166 YIQSJHUWLDMAKF-HYARGMPZSA-N 432.907 5.734 10 40 IKCB CCCN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c2ccccc21 409116333 UURSIDGTTNEODS-JLPGSUDCSA-N 437.499 5.895 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(F)F 409354003 WILHTRZFJINKRJ-GZTJUZNOSA-N 437.489 5.101 10 40 IKCB COc1ccc(OC)c(NC(=O)c2c(NCc3cccs3)sc3c2CC[C@H](C)C3)c1 729122 VJMYPPSMLXGSJF-AWEZNQCLSA-N 442.606 5.816 10 40 IKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 33437500 CKRUCQIIJMIHFQ-MQIWZSEOSA-N 425.945 5.167 10 40 IKCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4cccc(Cl)c4)C3=O)n2)cc1 100510838 MYHNVTIBJXPBLV-FTGFMQHASA-N 425.901 5.347 10 40 IKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)ccc(Cl)c4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736300 PKHYFJITCBQOFB-CZSZKKDXSA-N 436.382 7.707 10 40 IKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 408760975 BIRLLHXVIOTVMN-JWGURIENSA-N 429.947 6.943 10 40 IKCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 409347006 PFKKQIAEKCOOAZ-BOPFTXTBSA-N 434.380 5.249 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c(C)c1 2162000 FQOIJUDTMMVRSC-QRVIBDJDSA-N 434.536 6.087 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 8821574 VUCYRFHUXDFNPI-AQTBWJFISA-N 432.408 6.198 10 40 IKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8935132 WXZHYNIYTFJYOW-UKFDBNNRSA-N 448.360 6.042 10 40 IKCB [N-]=[N+]=NCC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 97965263 FANNRODASUFRCI-SKXMAYPPSA-N 440.334 6.427 10 40 IKCB Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1cc(Br)ccc1Br 100458966 KXAHSLBDCIQVNT-WCWDXBQESA-N 447.134 5.975 10 40 IKCB COc1cc(N2N=C(C)/C(=C/c3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)ccc1Cl 408758107 VMENNMNNUZYQIQ-BKUYFWCQSA-N 448.954 5.574 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408892729 JIDNHDSVQJAFDX-WJDWOHSUSA-N 436.722 5.914 10 40 IKCB CCOC(=O)C1=C(C)N=C(SCc2ccccc2Cl)N[C@@H]1c1ccc(N(C)C)cc1 408985382 ARUVEZJIRIXDFL-OAQYLSRUSA-N 444.000 5.177 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409057910 LSLJSWFYUWSDML-XYGWBWBKSA-N 440.543 5.588 10 40 IKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409061297 CREPLGFLSMSBEF-JCMHNJIXSA-N 444.506 5.419 10 40 IKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1OC)N2 409163944 ACNJSLPWTUHKOZ-NQCMUKECSA-N 448.744 5.724 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OC(C)C 409330200 JRFFVPVHARZNLE-HAHDFKILSA-N 449.597 6.432 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)CC 409339147 FGZUFGGELNDQQZ-DABDWFRDSA-N 431.554 5.808 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OCC 409342153 CKBZGOFBCQBCEH-XSFVSMFZSA-N 431.554 5.809 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2ccccc2)SC1=S 2828353 DNIAAELSGMGURC-RGEXLXHISA-N 433.982 5.409 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)=O 3769527 HAMBLCWZLMRUPZ-UDWIEESQSA-N 427.547 5.033 10 40 IKCB Cc1nn2c(-c3ccc(-n4c(C)ccc4C)cc3)ccnc2c1-c1cccc(C(F)(F)F)c1 8782190 WGGKSSCNVNMBCM-UHFFFAOYSA-N 446.476 6.798 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3Br)C2=O)cc1 9311254 RDZCQTVHEFFWEW-HMMYKYKNSA-N 446.344 6.237 10 40 IKCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc2ccccc2c1 16712731 ZATIZKLAJSTJRB-MIAABOGCSA-N 430.554 5.236 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CC=C[C@H]21 33662796 ITPSVLQAOTZWJK-ZQIUZPCESA-N 438.243 5.993 10 40 IKCB C[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(N2CCCC2)cc1 225695401 MBHPDJGRMHHWFY-ZDUSSCGKSA-N 438.822 5.750 10 40 IKCB Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)c1 408753087 HSHRHGZTLZNAND-KGENOOAVSA-N 435.296 5.731 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cccc(F)c3)C2=O)cc1Cl 408879345 FJJCEAZFAIPSPL-FYJGNVAPSA-N 448.881 5.045 10 40 IKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)c(Cl)c1 408946362 MKSBWWDYPINIHS-UHFFFAOYSA-N 439.136 6.231 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)ccc1Cl 409154630 KNYZMOBCUYZKAV-AGKHESDQSA-N 429.225 6.747 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 409318043 UPBSCEVRSYIREP-JYRVWZFOSA-N 440.685 5.663 10 40 IKCB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1 2286268 UEDVNXCSUFTGGE-XMHGGMMESA-N 445.009 5.523 10 40 IKCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3C)C2=O)cc1 13661932 FMBIWAUAVADMIQ-GJQHCVRFSA-N 441.531 5.025 10 40 IKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C)cc2)C1=O 16739412 KRNCCICZWBJSHK-XCFXSZPASA-N 436.602 5.561 10 40 IKCB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1 35146451 SYTCIKQGFXBZER-HZWMVPBHSA-N 432.336 5.040 10 40 IKCB O=C1/C(=C/C(Br)=C/c2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830638 NBRYJEJUDFTONP-OAPQASQTSA-N 447.335 5.279 10 40 IKCB CCN1c2ccc(/C=C3\SC(Nc4cccc(C)c4C)=NC3=O)cc2C(C)=CC1(C)C 208505433 OVUAEGDPMZRZRI-UCQKPKSFSA-N 431.605 6.408 10 40 IKCB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(O)c1 408635214 YHLFHCOULGNYMB-WQRHYEAKSA-N 445.928 5.160 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(C(F)(F)F)=NN1c1ccccc1 408968621 AJZZLSSZAFQKGK-PTNGSMBKSA-N 445.328 5.342 10 40 IKCB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 409204512 HOPMIESLQZZGQG-VBEHJTROSA-N 448.407 6.032 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(c4ccc(OC)c(Cl)c4)C3=O)c[nH]c12 409347541 MOKWKHOTOUKZIQ-NVMNQCDNSA-N 428.966 5.798 10 40 IKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1c2ccccc2C[C@H]1C 1340021 JONNIMXWOZUEJQ-QGZVFWFLSA-N 440.012 5.929 10 40 IKCB CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12 8918152 MPYSYTCCHLYARA-ZNZIZOMTSA-N 433.507 5.017 10 40 IKCB biogenic CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 144213995 OAWSVTPPSLAKIL-JCMHNJIXSA-N 446.528 5.512 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222969387 MHEGPEGCIWGXKB-ZCYQVOJMSA-N 432.637 5.879 10 40 IKCB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c1 224233307 UXGVFKOEGQWFCM-CLJLJLNGSA-N 438.600 5.975 10 40 IKCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225021022 CGNMWBTYJQLEOP-XZOQPEGZSA-N 431.609 5.108 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 409164431 IKHIGQBCSFOTBY-CZIZLABSSA-N 428.679 6.948 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409347361 POUGQXYRKKFYMM-WOJGMQOQSA-N 438.401 6.578 10 40 IKCB Brc1ccc2c(ccc3nc4ccc5cc(Br)ccc5c4nc32)c1 2362801630 MAVBQTBTGPWTBJ-UHFFFAOYSA-N 438.122 6.614 10 40 IKCB CC(=O)Nc1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 8456404 GCMLMVCXNLXJOT-NEMUNFNQSA-N 427.504 5.448 10 40 IKCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1 9309311 KPVZGIOOQXBYFS-RLPJPJOASA-N 449.580 5.158 10 40 IKCB Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(-c5cccc(Cl)c5)o4)C(=O)N=C3S2)cc1 9678961 WFBYMYXMEOZAPM-LSZLNTRYSA-N 446.919 5.576 10 40 IKCB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccc(F)cc1 9713185 KSSXEINFJFIPHA-UHFFFAOYSA-N 447.539 5.197 10 40 IKCB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1 15947655 HSXUWTNSYKSWGW-MLXNANBUSA-N 427.751 5.423 10 40 IKCB O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccc(F)cc1 59134988 AONZLDNVYTYTSN-FYJGNVAPSA-N 434.398 5.051 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 80348109 CBZLEZKPRBPUDJ-NJOZZACWSA-N 425.945 5.085 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2F)N1c1ccc(Br)cc1 408752895 DDGLUYQHIDOQAY-LDADJPATSA-N 427.298 5.484 10 40 IKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 408971575 JDWTVAVJHUCHGT-PDGQHHTCSA-N 440.377 5.302 10 40 IKCB CC(C)N1C(=O)/C(=C/c2ccc(COc3cccc(Cl)c3Cl)o2)SC1=S 1021557 XPKRCVQOWRQMMY-NVNXTCNLSA-N 428.362 5.775 10 40 IKCB CCN(CC)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12560567 HYUGIVWIBGLFOW-AHWVRZQESA-N 431.967 6.429 10 40 IKCB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN=[N+]=[N-])[C@@H]3c2ccc(OC)cc2)cc1 97965265 AZWAPAPUXARMKU-QWURTARCSA-N 431.496 5.137 10 40 IKCB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)CC2)c1 219406590 VDXLHKJWRIYRCC-PKTZIBPZSA-N 433.640 5.321 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)cc21 260784194 VJEGXGJRFFIKAG-FCHUYYIVSA-N 441.044 5.748 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)S2)cc1 408783852 NTSIJERFZHPGHZ-GJFKPFFXSA-N 433.577 5.265 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Br)cc2)cc1 408839751 AAGWCWAZYRWVIH-CJLVFECKSA-N 447.332 5.682 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 409077412 FPJLXNBYZMLWCR-OOAXWGSJSA-N 444.534 6.409 10 40 IKCB COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 2381788 YVXBAFGQTUNKGP-JXAWBTAJSA-N 446.619 5.157 10 40 IKCB Cc1cc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)c(C)n1-c1ccc(F)cc1 3389921 FWGSMQQKPDTXND-JOCHJYFZSA-N 449.507 5.135 10 40 IKCB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCCC4)c23)cc1Cl 8612186 CRMXJRFXDUOECF-UHFFFAOYSA-N 442.943 5.737 10 40 IKCB aggregator CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 9233444 HPWDEMHPWRBDIH-VCHYOVAHSA-N 438.401 6.184 10 40 IKCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 20238550 ZYIHBJYMAVOXSA-MOSHPQCFSA-N 445.431 5.232 10 40 IKCB CCCCN1CCc2cc(/C=C3\C(=O)N(CCC4=CCCCC4)C(=S)N=C3O)ccc21 33561537 OKXKFIJTXJFYCR-FXBPSFAMSA-N 437.609 5.207 10 40 IKCB Cc1ccc(Nc2cc3nc(-c4ccccc4)[nH]c3c3c2C(=O)c2ccccc2C3=O)cc1 78549661 LWBWZJCNJCJBFK-UHFFFAOYSA-N 429.479 6.057 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1 224397853 ULXOVFQSZBRNTE-DQEYMECFSA-N 442.563 5.805 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409061580 FYBYQIBSHZSUEM-UCQKPKSFSA-N 448.469 5.250 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C 208324318 LJIJVXCEOGANSK-QHSFOXILSA-N 448.632 6.652 10 40 IKCB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408586617 PGZNNFZVSGQFMS-UHFFFAOYSA-N 436.316 5.034 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3Cl)C2=O)cc1 408987892 ZQRWJPINAZJIBK-XDJHFCHBSA-N 436.338 6.863 10 40 IKCB c1ccc2c(N3CCN(c4c5ccccc5nc5ccccc45)CC3)c3ccccc3nc2c1 4016183 XTKZVYQACBEXRA-UHFFFAOYSA-N 440.550 6.416 10 40 IKCB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)cc1 10113103 YAEOFTZNESHXPQ-UHFFFAOYSA-N 430.617 6.208 10 40 IKCB Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 17300224 UVLPIULWZIAFJH-OABJIQBASA-N 449.984 6.745 10 40 IKCB COc1cc(N[C@H](C)CCCNc2c3ccccc3nc3ccccc23)c2ncccc2c1 31847500 QNJMGYLKKDFDOQ-LJQANCHMSA-N 436.559 6.638 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2OC)cc1 408839777 AGDJPOPTPAKCRJ-XIEYBQDHSA-N 434.495 5.692 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408974901 FFHUTNOVMIVBPM-YBFXNURJSA-N 431.706 6.713 10 40 IKCB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 409330348 KXAQRPSTRSIWKU-XACIZNRCSA-N 438.401 6.577 10 40 IKCB O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(Br)c(Cl)c1 409338009 BHBVQUHIRVRBFK-VGOFMYFVSA-N 428.735 5.647 10 40 IKCB O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S)c1cccs1 409350683 YKFGECKWIPSUAG-PTNGSMBKSA-N 444.584 5.039 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1 3066825 OHACJBMBYNAUJT-ODLFYWEKSA-N 446.380 6.968 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 9307648 LMLMJSGRXKFXJS-BNHNGMILSA-N 449.923 5.008 10 40 IKCB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 13940001 XTZDNEHMJXPPIL-MOSHPQCFSA-N 435.526 5.135 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14406588 SPHZFDUTMVSJRZ-BWAHOGKJSA-N 439.511 6.055 10 40 IKCB COc1ccc(N(c2ccccc2)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)s2)cc1 16216879 GHQPEMZRPVXIOP-OCOZRVBESA-N 430.489 7.550 10 40 IKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cccc3ccccc23)cc1 17098458 ZCVHZFFJOMOLSL-XHPQRKPJSA-N 433.511 5.985 10 40 IKCB COc1cc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc(O)c1O 97993179 KHTUCWZDSWCPBS-TYWAAFNRSA-N 433.504 5.502 10 40 IKCB Cc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)S2)c(C)c1 208234636 YLBNQRPAANMCLU-QRAWFLTRSA-N 433.621 6.416 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3I)cc2)CC1 218216993 LOINJUASLPQJAA-INIZCTEOSA-N 448.348 5.019 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1 222829529 KPVLCQJOJVBJDR-YADHBBJMSA-N 425.001 5.523 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2cc(C)cc(C)c2)ccc2ccccc12 408941207 OXGUHPAVGCTMKI-OVVQPSECSA-N 446.550 6.842 10 40 IKCB O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1C1CCCCC1 409329772 IENJQUNQPMKOHK-XLNRJJMWSA-N 439.602 5.678 10 40 IKCB COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCCC[C@@H]3C)c(O)ccc2c1=O 946473 HJLUWROVCFUBNV-AWEZNQCLSA-N 447.453 5.567 10 40 IKCB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c1 2385104 ZEUOVVBERAYTPR-QNGOZBTKSA-N 449.601 5.549 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(F)cc2)N3)cc1C 8589991 SHAOQNRSKRYIJH-PLXFJCCSSA-N 448.563 6.070 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N=C3O)o2)cc1 59137967 IIOQXYOBFNZNLF-DEDYPNTBSA-N 448.569 6.028 10 40 IKCB CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1 83262027 GBAPHJUPYMZBJI-FOWTUZBSSA-N 439.338 7.532 10 40 IKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cccc(Br)c1 103918860 XFUXAFSDGOTYIC-ZHZULCJRSA-N 428.330 5.347 10 40 IKCB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 223138571 WJCKZGOSJSQBNS-UHFFFAOYSA-N 448.438 5.368 10 40 IKCB O=C1/C(=C/c2ccc(O)cc2)N=C(c2ccccc2)N1c1nc2cc(Cl)ccc2s1 8955267 IHFJXUWEKQGHRI-UNOMPAQXSA-N 431.904 5.490 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)SC1=S 40005935 MLQYFVQIJRCOHE-DEDYPNTBSA-N 431.554 5.415 10 40 IKCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 41078005 AEVSGZIHCSFHNW-UNOMPAQXSA-N 438.486 5.269 10 40 IKCB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(O)c(O)c4)C3=C(O)C2)cc1OC 102719754 RKIUPKCDMPZRHJ-CMJOXMDJSA-N 448.475 5.019 10 40 IKCB Cc1cc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)ccc1N1CCCC1 408633932 NSPGTZXGLNSFGV-CPNJWEJPSA-N 440.956 5.252 10 40 IKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Sc2nc3ccccc3s2)o1 408767259 FHDQUERNCARMTC-UHFFFAOYSA-N 427.503 5.184 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 408784785 XKGHYDUVDHFIBF-XYGWBWBKSA-N 440.543 5.588 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2OC)C1=O 409339029 DKGSGCOEWCGBIK-KQWNVCNZSA-N 449.597 6.433 10 40 IKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC(C)(C)C2)c1O 1794013 KPEBBTIKYOWPML-UHFFFAOYSA-N 448.588 5.960 10 40 IKCB biogenic O=C(O)CCCCCCCCCCN1C(=O)/C(=C/Nc2cccc(O)c2)SC1=S 9422302 ZZFQVFZHHNLMNL-SDXDJHTJSA-N 436.599 5.101 10 40 IKCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)c(C)c1 13647644 CDILWFKTIULDHU-MOSHPQCFSA-N 435.574 5.125 10 40 IKCB COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)nc12 54360934 NHNCAPKZQJDHKX-YVLHZVERSA-N 428.922 5.008 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)O2)cc1 83317674 OIMDQMCWLLFNRZ-UDWIEESQSA-N 437.322 6.862 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)CC1 225656895 UKVIWADJYJHDQV-HXUWFJFHSA-N 437.653 6.292 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)cc21 260784200 VJEGXGJRFFIKAG-YADHBBJMSA-N 441.044 5.748 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccccc1 2240065 QBJFOTYNKBEBLF-UNOMPAQXSA-N 445.487 6.367 10 40 IKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 9188477 VIDCVLJDZRFVBL-HAHDFKILSA-N 431.582 6.288 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1 9635925 FEPKCFWTAWEWHC-GNMKNICSSA-N 427.533 5.277 10 40 IKCB Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 36081918 UTYNHKCYLMTCHN-LIBAHTEVSA-N 439.136 6.311 10 40 IKCB CCN1C(=O)/C(=C/c2sc(N(C(C)=O)c3ccccc3C)nc2Cl)SC1=S 97011465 UQNPKPBAECWIQB-ZROIWOOFSA-N 437.999 5.011 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 223568332 SWAPHRPZQHJYHT-JVMBGAFUSA-N 431.580 5.589 10 40 IKCB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226782318 ALUHAIVAFPIWOB-XQBPLPMBSA-N 425.370 5.758 10 40 IKCB CCCCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 408533307 QIIOAPJCZRUOKM-NKFKGCMQSA-N 430.935 6.353 10 40 IKCB CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408541402 ZJLOFBONQUOKAB-CYVLTUHYSA-N 442.968 5.130 10 40 IKCB Cc1ccc(Nc2cccc3c2C(=O)c2c(Nc4ccc(C)cc4C)cccc2C3=O)c(C)c1 5011858 PWTLIILQAUKNRR-UHFFFAOYSA-N 446.550 7.183 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccn1 8820173 BDDMBYUJMKNMOR-VKAVYKQESA-N 445.997 5.135 10 40 IKCB CCN(CC)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 12490896 JVHQNHYDIKOKHI-UHFFFAOYSA-N 441.625 7.341 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccccc1 408841804 HQUZHUBUAFWJAF-HMMYKYKNSA-N 433.305 5.292 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)CC 409346002 MIAKZOASFQUHQG-DABDWFRDSA-N 448.009 6.322 10 40 IKCB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-n3cncn3)c(-c3ccccc3)n2n1 1398957 JNONYXAKPJSXQX-UHFFFAOYSA-N 437.532 5.113 10 40 IKCB Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2238003 FFTKTSQZKIYYOU-AQTBWJFISA-N 430.982 5.269 10 40 IKCB C[n+]1c(-c2ccc(Cl)cc2)csc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2557733 ATPBCIJSLAMBMU-UHFFFAOYSA-O 437.816 6.674 10 40 IKCB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)Nc1ccc(Cl)cc1 12496863 QTVXLWNPAHGBLL-UHFFFAOYSA-N 433.964 5.983 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)c3ccccc3C2=O)cc1 12650913 KECXKOCXPCGTSL-IMRQLAEWSA-N 432.523 6.130 10 40 IKCB Cc1nn(C(=O)CC(=O)Nc2ccccc2Cl)c(C)c1/N=N/c1ccccc1Cl 17194790 JJTCLHXKNKKSLE-OCOZRVBESA-N 430.295 5.891 10 40 IKCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225030933 IIWMGDHHQXFFOS-DNQXCXABSA-N 432.593 5.104 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1C[C@H]1CCCO1 409080416 DEPNSSZNLANKDC-DISPHTKASA-N 439.480 5.346 10 40 IKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1Cl 409172621 DRSBWDLSVUKOQO-DFIYOIEZSA-N 448.975 7.367 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 409197536 ICCAVVXNTRROND-FHNWIRHTSA-N 448.407 6.032 10 40 IKCB CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1C(C)C 409226309 MVCQDKDHHHEFDW-SFQUDFHCSA-N 442.968 5.002 10 40 IKCB CCOc1c(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cccc1OC 409347581 QKWYDHMRLJWAPU-SXGWCWSVSA-N 440.373 5.807 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3C)C2=O)cc1 2281606 OZYNDHCDVGHDJC-QNGOZBTKSA-N 438.618 5.486 10 40 IKCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 8818988 ABIROKYSYCPCRT-NCPSJORJSA-N 441.452 5.030 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 26688202 SAAVNQLWOVBHQG-GDNBJRDFSA-N 441.452 5.031 10 40 IKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 35041446 LGDJZSKVQCNRFQ-XMHGGMMESA-N 449.594 5.212 10 40 IKCB O=C(O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 58845615 NBHDIQKHSAQTTB-YZUZCNPQSA-N 446.528 5.012 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(I)cc3)cc2)CC1 218213463 XKJJIUZDZGKLDN-INIZCTEOSA-N 448.348 5.019 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222874175 YTYBKBREKSJABO-FCHUYYIVSA-N 425.001 5.525 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(F)cc1 223096809 FMOYTWQTKSZMLA-DQEYMECFSA-N 448.611 5.933 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(C)c4)C3=O)cc2)cc1 408530484 LFZQRSKTHZWNPO-PXLXIMEGSA-N 433.623 6.860 10 40 IKCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(C)C)SC2=S)cc1Cl 408599516 IJTPQRGZCQUMCE-GRSHGNNSSA-N 433.982 5.789 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CC)cc1 409051812 BSZKZWOMWLNNTA-ZHZULCJRSA-N 440.337 5.279 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(OCC)c3)SC2=S)cc1 409328648 ZJONVNRNXDZCGD-BOPFTXTBSA-N 435.954 5.249 10 40 IKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1206696 MBXFZQVJSJEHLQ-SDNWHVSQSA-N 438.233 5.599 10 40 IKCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(Cl)cc3)C2=O)cc1 2230981 HGFLAVOOYIRUOD-KGENOOAVSA-N 433.895 5.259 10 40 IKCB CCOC(=O)c1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(O)c(CN(C)C)c12 3646708 ALRVRMJGXNESMJ-UHFFFAOYSA-N 428.532 5.301 10 40 IKCB COc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1Cl 8846008 JUYNZKXUVYOVCH-UHFFFAOYSA-N 433.335 5.504 10 40 IKCB COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 13634613 KLLKBTDTOANIRJ-FBLLAGFSSA-N 432.545 5.323 10 40 IKCB CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2OCc2ccccc2)SC1=S 15008771 RADZCXGJMGTAFY-KGENOOAVSA-N 426.607 5.333 10 40 IKCB CC[C@H](C)c1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1 33390906 UIXYOVBBJJPCGE-DBZAVIBRSA-N 441.618 5.879 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222964688 BYPBIKMZPNPRMC-DHIUTWEWSA-N 439.028 5.915 10 40 IKCB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1 224550650 CORXCINIKYYGPJ-LOSJGSFVSA-N 440.572 5.366 10 40 IKCB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260732851 CAAXYJBUCCXMKU-FUHWJXTLSA-N 425.598 5.066 10 40 IKCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408767005 HSJWSDVQNNEHCR-XQNSMLJCSA-N 441.531 5.058 10 40 IKCB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 408871298 ZBPHMSFHCYOTIM-HZHRSRAPSA-N 444.918 5.214 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409061037 ZPCORYYPLNIBRI-JLPGSUDCSA-N 432.564 5.408 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)SC2=S)c(C)c1 6795956 XXRJEEBUTHZRQI-UDWIEESQSA-N 435.526 5.667 10 40 IKCB O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccccc1 8935188 AGDPKLYVQLXSRM-KGENOOAVSA-N 437.973 6.325 10 40 IKCB O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O 13895782 CMZHLRFOVFYIBP-QGZVFWFLSA-N 427.323 5.208 10 40 IKCB COc1ccc2nc3cc(Cl)ccc3c(N(C)CCc3ccc(OC)c(OC)c3)c2c1 16043853 JSIGEHVKICPRGW-UHFFFAOYSA-N 436.939 5.746 10 40 IKCB O=C1NC(=S)/C(=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)S1 16805070 RILJWIGYHBLINI-IQDKPADRSA-N 441.581 6.167 10 40 IKCB COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC 18190090 PHJSFZUPVICELW-QHCPKHFHSA-N 445.519 5.180 10 40 IKCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 27501252 YZJKWQFHJBJAAX-BKUYFWCQSA-N 446.890 5.423 10 40 IKCB N=C1/C(=C/c2cccn2Cc2ccc(Cl)cc2)C(=O)N=C2SC=C(c3ccccc3)N12 33157359 YATKAFVIFROZLJ-SMTYPRMSSA-N 444.947 5.494 10 40 IKCB CCOc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 35646652 YEAHXUKRUHBOFV-MOSHPQCFSA-N 435.461 5.336 10 40 IKCB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1 58846608 QXEZNZYEVMBQSM-UZINWLIJSA-N 448.563 6.070 10 40 IKCB CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 206838319 SXRQNIVNEPJNHO-XQNSMLJCSA-N 446.597 5.737 10 40 IKCB Cc1ccccc1CN1CCC(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)CC1 219405034 KDRJQYKQSNHUPL-FYYLOGMGSA-N 433.640 5.321 10 40 IKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 222792207 SYGLZJGBMQNHRR-YADHBBJMSA-N 441.000 5.144 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1cccc(Br)c1 408753210 FFRSNUONMOOZAJ-UDWIEESQSA-N 439.259 5.562 10 40 IKCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccc(Cl)cc3)c12 409142280 XOVTZLKOULWXKA-NDENLUEZSA-N 441.021 6.127 10 40 IKCB Cc1cc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)c(C)n1-c1ccc(F)cc1 3389926 FWGSMQQKPDTXND-QFIPXVFZSA-N 449.507 5.135 10 40 IKCB COc1cccc(/C=C2/SC(=S)NC2=O)c1OCc1ccc(Cl)cc1Cl 3624061 FHMOOGJAFONTAA-VIZOYTHASA-N 426.346 5.070 10 40 IKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8425520 XMOGORDPIWNJPL-BVMUCEKZSA-N 446.388 6.546 10 40 IKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 9323176 LCKDJEXJXTZHAP-MOSHPQCFSA-N 432.501 5.022 10 40 IKCB O=C1N=C(O)/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N1c1ccc(Cl)cc1 20324520 RGXUDSHSBDXOQJ-PDGQHHTCSA-N 438.892 5.732 10 40 IKCB Nc1ccc(/N=N\c2ccc3cc4ccc(/N=N/c5ccc(N)nc5N)cc4nc3c2)c(N)n1 104230281 RKDJPLAXPITDOD-IUQQBYGBSA-N 449.482 5.338 10 40 IKCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccccc3Sc3ccccc3)C2=O)cc1 112289258 LUDRYIHTUYANPH-ULJHMMPZSA-N 429.545 5.955 10 40 IKCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2[C@H](C)CC1(C)C 208305263 SQLNRXBQOGTECE-SDLXJUDFSA-N 445.563 5.082 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 408768739 IRFHHEJPPYQDSV-YMSBRDKKSA-N 437.996 5.910 10 40 IKCB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 409004018 WEBCAMFZSHFYRQ-LSVUDHJXSA-N 444.535 6.177 10 40 IKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 409162695 HCNFLJQBWFTNKC-JCYRPKCISA-N 427.569 6.812 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)SC2=S)cc1 409349843 WGUHMHPCECJKOK-QGOAFFKASA-N 425.556 5.845 10 40 IKCB COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 8819662 BUWWGXRLYNDYFF-SILNSSARSA-N 440.590 5.096 10 40 IKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)=C\c1ccccc1 8820621 CVBJVKYPWGQPCA-UJUKKVGJSA-N 428.966 5.126 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c1 8989937 UZQWPZFEHFJPQY-ODLFYWEKSA-N 446.380 6.968 10 40 IKCB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(C)n1-c1ccccn1 9367930 REHZXQCNAWIHIX-UHFFFAOYSA-N 447.539 5.197 10 40 IKCB CN(C)c1ccc(C(=O)O/C(=C/c2nc3ccccc3s2)c2ccc(N(C)C)cc2)cc1 69973612 ZAXRJOYVPVPTRE-HAVVHWLPSA-N 443.572 5.783 10 40 IKCB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 224586634 RSHYSMRJGGIOFW-JWQCQUIFSA-N 440.572 5.366 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c(C)c1 260753214 BQPFSGQKXIVOGC-RZPHLTDDSA-N 430.621 6.004 10 40 IKCB COc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1 408739065 SJWRANYYQJSPQS-XMHGGMMESA-N 432.317 5.929 10 40 IKCB COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(Br)c3)C2=O)c1 408763450 FHINQDWVRDSGCD-HYARGMPZSA-N 447.332 5.601 10 40 IKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1cccc(Br)c1 408763835 KLZBFVUTHRNJGS-DEDYPNTBSA-N 448.276 5.192 10 40 IKCB COc1ccc(CNc2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)cc1 2292965 KLFXVGBRAUGTOF-UHFFFAOYSA-N 447.494 6.404 10 40 IKCB CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)C2CC2)[C@H]3c2ccc(N(C)C)cc2)cc1 83854255 SNHJMGYXUINGNB-XWFAVZFFSA-N 442.607 5.352 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(N(C)C)cc1 222923254 ZZUCHADNVQAHLC-LOSJGSFVSA-N 447.652 5.184 10 40 IKCB O=C1c2ccccc2C(=O)c2c1c(Cl)cc1c(O)c3cc(Cl)cc(Cl)c3nc21 4705993 SQAQTWYUQXFOMH-UHFFFAOYSA-N 428.658 5.829 10 40 IKCB CCOC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)CC/C3=C\c1ccccc1 9245791 HSLUPIRXNNHBNF-OBGWFSINSA-N 426.541 6.209 10 40 IKCB Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)c3c2C(=O)[C@H]2C=CC=C[C@H]2C3=O)cc1C 100643756 BPFNGJOREWNVEV-PSWAGMNNSA-N 448.566 7.145 10 40 IKCB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)cc2)n1 225292019 CUZPCCOIHPEJCT-QFIPXVFZSA-N 430.596 5.276 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1cccc(C)c1 408844751 PGSJHSFLPJOTOX-RCCKNPSSSA-N 447.332 5.601 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)cc1 408871675 ZUPBRXRBIAXXPH-HYARGMPZSA-N 448.881 5.045 10 40 IKCB CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C 409041726 VKDOHMLSFYNMOM-XFFZJAGNSA-N 430.760 5.240 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409249331 TWGWCCMTHHVDOK-OEAKJJBVSA-N 433.939 5.968 10 40 IKCB Cc1ccc(Cl)cc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 9259060 UBFJHUJBQABRAO-WQRHYEAKSA-N 441.270 5.228 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)SC(=S)N1Cc1ccccc1 33409079 OUNCEWHIGDFYQI-HMAPJEAMSA-N 435.545 5.806 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)S2)cc1 208236737 LLCGRWWWLHIIHE-PGECNJAHSA-N 433.621 6.362 10 40 IKCB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219386750 ZKVUVGFHBOMNMB-PNCHPQGNSA-N 431.045 6.324 10 40 IKCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 223031557 JXUDNXRHARNZMH-VUMVONDWSA-N 429.004 5.920 10 40 IKCB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1 224195360 AKYKFFWLFYQKDR-DQEYMECFSA-N 439.588 5.370 10 40 IKCB CCOc1c(Br)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1OC 408744504 YGSHGWQQHBBSOQ-RIYZIHGNSA-N 435.701 5.491 10 40 IKCB CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 409340589 ZUERDUCHMRYAGP-WQRHYEAKSA-N 448.407 5.890 10 40 IKCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C)cc2)C1=O)=C\c1ccccc1 1264226 KRNCCICZWBJSHK-KPVYVFMXSA-N 436.602 5.561 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F 26580624 ZKZJJZIWLWHBRH-YVLHZVERSA-N 437.945 5.288 10 40 IKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 35223926 JLCPQEBHYWSXSS-ZQIUZPCESA-N 449.142 5.736 10 40 IKCB CCOc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1 59425803 AZHFYSRAIKZNCG-LGMDPLHJSA-N 437.289 6.089 10 40 IKCB C/C(Nc1ccccc1OC(F)(F)F)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 103921370 IFDDKBNHRHZIRA-PGMHBOJBSA-N 437.421 5.722 10 40 IKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c(C)c1 222619344 BQPFSGQKXIVOGC-BFMBIBTESA-N 430.621 6.004 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Cl 222829179 PHQCALLDMPAGEN-FGZHOGPDSA-N 425.001 5.523 10 40 IKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1 223343624 JUZDLMWYDHIEPW-JWQCQUIFSA-N 442.588 5.563 10 40 IKCB CCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408527122 ATAPTQLGLZVUSH-GZTJUZNOSA-N 447.318 5.147 10 40 IKCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(C)cc1[N+](=O)[O-] 408532164 PVLGNOOOVKPLNT-GDNBJRDFSA-N 443.301 5.001 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 408840224 CNJSWEOLGMXURV-UDWIEESQSA-N 441.289 5.976 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1C 408962498 YPKJTVOOJRLSEZ-IWIPYMOSSA-N 444.600 6.510 10 40 IKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 409346844 OJFGLNYMZWKBOT-CYUIRQCWSA-N 446.981 5.064 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 1011075 VPPQBXVBBOJKLB-MTJSOVHGSA-N 440.927 6.123 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 8821579 YANDUIMBHIOOBY-AQTBWJFISA-N 432.408 6.198 10 40 IKCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 33888620 PRNVMSTUIGPWKK-MQIWZSEOSA-N 437.594 5.041 10 40 IKCB O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2C12Nc1cccc3cccc(c13)N2 49947088 WBKMBNXZWNMSDG-UHFFFAOYSA-N 446.337 6.384 10 40 IKCB COc1cc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)c(OC)cc1Cl 103917369 FPAZZPWKWOZLEK-ODLFYWEKSA-N 442.928 5.076 10 40 IKCB O=C1c2ccccc2C(=O)[C@H]2[C@H]1[C@H](c1ccccc1)N(c1ccccc1)[C@H]2c1ccccc1 103952324 FPPDSNPJQKKTIP-LJWNLINESA-N 429.519 6.301 10 40 IKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl 144223275 KBIYREKBNHRZIV-UNOMPAQXSA-N 443.355 6.642 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)S2)cc1 208196755 WRFHLBJREPARFQ-LRSOKBAUSA-N 435.593 5.890 10 40 IKCB O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@@H]2CC=C[C@@H]42)c1 222389315 YBSJBYCBSDKPCS-QCUMIWAISA-N 449.348 6.252 10 40 IKCB O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1sc2cc(Cl)ccc2c1Cl 245231865 KZHAEINZUXXFDZ-UHFFFAOYSA-N 426.328 7.876 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1 409073232 GGMLUCBYLYOLHZ-KGENOOAVSA-N 448.931 5.466 10 40 IKCB CC(C)n1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21 409181059 ZUAAXRWLDFBNBN-DJKKODMXSA-N 430.957 6.421 10 40 IKCB COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2c(O)ccc3ccccc23)cc1 1717335 AMKRBDFRGPGFSN-UHFFFAOYSA-N 426.516 5.588 10 40 IKCB CN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 8819733 GJVIVWABHLLBIK-FXBPSFAMSA-N 438.618 5.107 10 40 IKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S1 8821740 WJGNPLMHIUZGTK-HAHDFKILSA-N 448.975 6.564 10 40 IKCB Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 33932683 WVOWNKLZEKWZQA-MFTVFGMVSA-N 449.555 5.433 10 40 IKCB Cc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 36080657 NTLIJOFVCAEOEQ-DXBVXKBHSA-N 426.516 6.617 10 40 IKCB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2F)N3)c1 43773485 FLILAMIIHKBRPE-RNHFSVANSA-N 434.536 5.761 10 40 IKCB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c1 58845797 CNZARGNFCPYYGW-OBTVHEKISA-N 444.600 6.239 10 40 IKCB Cc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 58928622 HIHZOEPNHIPJQN-UFPGJGBJSA-N 436.382 7.707 10 40 IKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1 223094268 HPTLWIODRHCZHX-JWQCQUIFSA-N 430.621 5.794 10 40 IKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(SC)cc1 409023816 QUWZJPONEDUHBU-LSCVHKIXSA-N 434.344 5.593 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)c2C)cc1 409223444 FNLPVONSLYPOIG-UCQKPKSFSA-N 446.528 5.022 10 40 IKCB Cc1cc(C(=O)[C@H](C)OC(=O)c2cccnc2Cl)c(C)n1-c1ccc(OC(F)F)cc1 3288433 JIIOXPRRPHJZOR-AWEZNQCLSA-N 448.853 5.172 10 40 IKCB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)CC)C2 8454293 CHMCAONONXEMOV-OAGGEKHMSA-N 449.613 5.295 10 40 IKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1Br 9311263 NNAZBSBGAUKDSS-NBVRZTHBSA-N 447.288 5.829 10 40 IKCB CCCCN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S 16742619 DGNHMNNSMFIXEN-JYRVWZFOSA-N 430.776 5.850 10 40 IKCB Cc1ccc(/N=N\c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2O)c(C)c1 17145577 GVDFNLGUMKHGRD-LPRDPYTISA-N 426.454 5.792 10 40 IKCB CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 33391808 XMCKYLORCNNMGH-VULIGXMUSA-N 441.618 5.879 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(O)=NC2=S)c(C)c1 59137422 PKZRPFQOPGIUSO-CIAFOILYSA-N 447.535 5.522 10 40 IKCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223057807 GAUPMXMJDAVCKZ-DQEYMECFSA-N 448.636 5.115 10 40 IKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 408741848 LLUIVVRISXNTDI-WJDWOHSUSA-N 437.245 5.389 10 40 IKCB Cc1ccnc(N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)c1 8453096 QLBQGAWRCKNQDY-OAQYLSRUSA-N 434.883 5.715 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)cc1 9296710 CFFKNEJODFYJFJ-PXLXIMEGSA-N 433.554 5.680 10 40 IKCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1 13896052 WACOCERNFYTPNM-MOSHPQCFSA-N 439.298 5.034 10 40 IKCB CN(C)c1ccc([C@@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)cc1 33731333 KGNXINQINMHQRU-OAQYLSRUSA-N 443.601 5.323 10 40 IKCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1 59418070 ZZFIKCDWLGCHJI-XSFVSMFZSA-N 435.526 5.529 10 40 IKCB Cc1cc(C(=O)c2ccccc2)ccc1N=[N+]([O-])c1ccc(C(=O)c2ccccc2)cc1C 104257873 PKPGPNLYCCRLKT-UHFFFAOYSA-N 434.495 6.691 10 40 IKCB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1Cl 225696246 XSSIOXNFOZMSHP-OAHLLOKOSA-N 431.989 5.165 10 40 IKCB COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc4scnc4c3)c3ccccc3)C2)cc1 257311887 ULKYPHGUMSVLBQ-QIGHUWCUSA-N 445.588 5.346 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21 260924125 RRXCWULYLXFHOG-RPBOFIJWSA-N 446.664 6.019 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 1070853 AYCZXTNVLUGTNB-FRKPEAEDSA-N 426.346 5.416 10 40 IKCB O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc(Br)cc1 3768718 CODJMGYKSUXFOW-LDADJPATSA-N 426.360 6.008 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4cc(C)ccc4C)C3=O)cc2)cc1 8821350 FRTOLUNYCIHTTP-IWIPYMOSSA-N 445.609 6.597 10 40 IKCB Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1-c1cccc(F)c1 12624962 NDEPPIYZLMPXCI-UHFFFAOYSA-N 437.565 5.702 10 40 IKCB 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FLFUWQCHXKCKLY-YVLHZVERSA-N 434.380 5.168 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 35646657 MYQYGWNDLUFHFF-MOSHPQCFSA-N 435.461 5.336 10 40 IKCB O=C1N=C(O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1ccc(F)cc1 59106192 QBYXOMPHENFHIA-GDNBJRDFSA-N 445.233 5.899 10 40 IKCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223105103 LLHYPQHLXHIGOU-RPWUZVMVSA-N 445.636 5.498 10 40 IKCB CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 408540004 LQJZUWGIBONKBI-CYVLTUHYSA-N 440.927 5.274 10 40 IKCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 408762568 DVGHBERECAACDB-PXLXIMEGSA-N 430.891 5.270 10 40 IKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccccc1Cl 408987842 ZAYCJGRMDWFEEB-SFQUDFHCSA-N 426.730 7.118 10 40 IKCB C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cc(Cl)cc(Cl)c3)c2C1 2512804 MOZHDJQSAFGFOJ-GFCCVEGCSA-N 449.175 6.979 10 40 IKCB CC(C)c1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 9189245 CBJSAZRLLQKPFE-STZFKDTASA-N 425.985 5.256 10 40 IKCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccco1 10215361 LDXBECMGKIJQKC-OXJNMPFZSA-N 445.700 5.643 10 40 IKCB Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccccc1F 13786642 IOQADTUZMLKJES-XGCFFSCVSA-N 442.519 5.538 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1 13940228 FWKHSHMKGNKQDK-HQZGWYBTSA-N 432.549 5.636 10 40 IKCB Oc1ccc2ccccc2c1CN(Cc1cc(Cl)cc(Cl)c1O)C1CCCCC1 31628986 LJFIQMUDEMGRBP-UHFFFAOYSA-N 430.375 6.893 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1 33351767 ZIFKMVZTHATSNK-XDHOZWIPSA-N 445.487 6.680 10 40 IKCB CCCn1cc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=S)N=C2O)c2ccccc21 33625897 WCTMNMTVSJCTDK-STZFKDTASA-N 431.561 5.846 10 40 IKCB CCOC(=O)c1c(-c2ccc(C)cc2)csc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 100209377 KPPSLOPPLQGBNL-ZHZULCJRSA-N 445.544 5.619 10 40 IKCB CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)ccc1Cl 225696186 POPROWKTNYZYJO-OAHLLOKOSA-N 431.989 5.165 10 40 IKCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2 408736102 FJHKGAIDHMOICQ-ALTZYDRJSA-N 448.522 7.154 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 408761371 IYRHXIFLFAVRPC-XIEYBQDHSA-N 442.515 5.327 10 40 IKCB COc1ccc(Cl)cc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 408774851 YIEIOFJRCZGRBA-CPNJWEJPSA-N 446.890 6.037 10 40 IKCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 408866521 GRSCJLPVYUBAII-PDGQHHTCSA-N 446.469 5.194 10 40 IKCB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1-c1ccc(/N=N/c2ccccc2)cc1 8855503 KAYUEYVHTDHPLM-ZQHSETAFSA-N 448.353 7.459 10 40 IKCB Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1cccc(F)c1 13810638 PBFDSPZBXPSLPD-PHNMUWTHSA-N 442.519 5.538 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1 13940227 FWKHSHMKGNKQDK-YFLSHCIVSA-N 432.549 5.636 10 40 IKCB Cc1nc(N)nc(-c2ccccc2)c1/N=N\c1cc(Br)ccc1Br 16951213 KXAHSLBDCIQVNT-VHXPQNKSSA-N 447.134 5.975 10 40 IKCB CSC(=S)n1nc(-c2ccccc2)c(/N=N\c2ccc(Br)cc2)c1C 104223405 WXPLEQHSOIFUEZ-MRCUWXFGSA-N 431.384 6.532 10 40 IKCB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C 225670295 KMBHHZQCCIUJQN-IEBWSBKVSA-N 439.625 5.456 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21 260917921 JWLZFVIWOXUKMZ-ZEQRLZLVSA-N 432.637 5.628 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Br)C2=O)cc1 408987063 VFWJQABAJSWYLI-CAPFRKAQSA-N 446.344 6.319 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 409045604 GPKJRXLXHJEQFC-FYJGNVAPSA-N 437.326 6.379 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3C)SC2=S)c1 409339130 SBKNTGLTUUSYRX-DEDYPNTBSA-N 426.632 5.723 10 40 IKCB COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 8875243 PWUATGILBMQLQY-HYARGMPZSA-N 434.586 5.817 10 40 IKCB CCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1 9309911 AGTLDXHXAXIYTQ-KUYAPCGNSA-N 447.951 5.372 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 16735710 SCAXDFWDMIAIHF-DHDCSXOGSA-N 442.345 5.319 10 40 IKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)o1 33293936 RLVLLHSPPCNWIO-JAIQZWGSSA-N 437.448 5.329 10 40 IKCB CC(C)n1nc(O)c2c(-c3c(Cl)cccc3Cl)c3oc4c(O)c(O)ccc4c3nc21 95476991 VVJBDTBELSKYBP-UHFFFAOYSA-N 444.274 6.002 10 40 IKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1 103918931 ZRPQMCRSWDZCBL-UNOMPAQXSA-N 445.375 6.492 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 408939510 MUQQCAAMZFXIFV-FYJGNVAPSA-N 437.326 6.379 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cc(C)cc(C)c1 408941692 PKVINSUMJAAYIV-BUVRLJJBSA-N 426.516 5.697 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Br)cc2)c1 409082216 RTLFSFVKICCKTA-HZHRSRAPSA-N 447.332 5.834 10 40 IKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 409240488 UCDHXPFJZTYTBR-VCHYOVAHSA-N 439.364 5.474 10 40 IKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccc(Br)cc1 13601787 WYBRPPKMFPQIEU-AWZKZOKMSA-N 440.326 5.448 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 59417943 BBEOZDLKPPIMCC-DEDYPNTBSA-N 429.973 5.601 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 214950024 OTGQXSPCMIRINL-LFVJCYFKSA-N 428.557 5.985 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(O)cc1 224167377 FAQHOVBRQSMSFX-LOSJGSFVSA-N 440.572 5.372 10 40 IKCB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260579006 ZKVUVGFHBOMNMB-IXFSTUDKSA-N 431.045 6.324 10 40 IKCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 409345208 KHDDEIDMVNGMCD-XQNSMLJCSA-N 433.598 6.420 10 40 IKCB O=C1/C(=C\c2cc(Br)c(Br)o2)SC(=S)N1c1ccccc1 9296535 JOIGMIFRGQIXGR-YRNVUSSQSA-N 445.157 5.210 10 40 IKCB COc1ccccc1[C@@H](c1ccc2c(ccc3c(C)cc(=O)oc32)c1O)N1CCCCC1 13570840 CVHNTMFQJPDTQC-VWLOTQADSA-N 429.516 5.544 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1 58845919 BTOUUKMUZHBBMJ-SGIRGMQISA-N 434.536 5.761 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1Cl 222743478 YEUTZILAQZPLOZ-UXHICEINSA-N 431.392 5.398 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222924822 BIFBEYZEYVRVQZ-ZCYQVOJMSA-N 432.637 5.734 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222970222 OJUSNJYRXMVZTA-RSXGOPAZSA-N 446.664 6.187 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2CC)c1C 222972454 RNCCSMHDFKUWEQ-AOYPEHQESA-N 446.664 6.133 10 40 IKCB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260732856 CAAXYJBUCCXMKU-WMZOPIPTSA-N 425.598 5.066 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1 408845823 RWAAAHCIELFMKT-DEDYPNTBSA-N 437.268 5.128 10 40 IKCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3ccccc3Cl)cc2)C1=O 408867695 MGHANSYRHJBAEW-PGMHBOJBSA-N 444.918 5.160 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 408943461 SHCATZYDAJYSHZ-HZHRSRAPSA-N 444.918 5.669 10 40 IKCB CCC(=O)N(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 856815 MGXGZBQGUWYKSQ-AZGAKELHSA-N 436.640 5.870 10 40 IKCB biogenic COc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1OC 1688912 GGVCXOUKAXNJKR-BKUYFWCQSA-N 444.483 5.273 10 40 IKCB COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3ccc(C)cc32)S1 1755572 GLMMAOTVXAHXJG-XLNRJJMWSA-N 439.627 6.259 10 40 IKCB CCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 2649403 PGVWJJKJNHRRTD-UHFFFAOYSA-N 447.318 5.234 10 40 IKCB Cc1cc(C(=O)COC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(OC(F)F)cc1 3338349 OQMXPPBJUZNHDE-UHFFFAOYSA-N 433.838 5.389 10 40 IKCB Cc1ccccc1Nc1c(-c2ccc(Br)o2)nc2ccc(Br)cn12 4793950 XFUWUYSPFGSDOW-UHFFFAOYSA-N 447.130 6.171 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(F)c1 32694321 PASKDXDOSGFEEU-GHRIWEEISA-N 434.583 5.288 10 40 IKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2C(C)=CC1(C)C 208510198 VGPVLSFTFLVXII-XKZIYDEJSA-N 436.552 6.084 10 40 IKCB O=C1NC(=S)S/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 408530224 LLAFGDJSLJCEQL-NVNXTCNLSA-N 440.771 5.170 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)cc1 408786640 LMNAWBCFVGCJNE-DEDYPNTBSA-N 447.922 5.031 10 40 IKCB O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 408843624 RKHIBEITGYWJCV-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1C 408857005 MMNLJQHRFUFVJD-UDWIEESQSA-N 434.879 5.192 10 40 IKCB COc1ccc(-c2c(C)c3ccc(O)c(CN(C)Cc4ccccc4)c3oc2=O)c(OC)c1 8769004 MHASVPYIKQZVJJ-UHFFFAOYSA-N 445.515 5.123 10 40 IKCB biogenic COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC 9763497 UJBJTLCKAAEMCS-AVYPCKFXSA-N 434.761 6.255 10 40 IKCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NC2CCCCCC2)cc1 17098516 ZAEOCAVVKMKCCR-MOHJPFBDSA-N 433.552 5.041 10 40 IKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCCSc3ccc(Cl)cc3)cc2)CC1 222694843 KCJUXTFAONKIJO-LJQANCHMSA-N 431.045 6.326 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)c1C 409134229 NHYIRXZAZISJQG-HKWRFOASSA-N 444.581 5.286 10 40 IKCB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)ccc1OCC(C)C 1159640 ROVNKHKMAMTMCL-MTJSOVHGSA-N 449.601 5.371 10 40 IKCB O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccccc1 3123840 JLHQSSKCNONIFX-UHFFFAOYSA-N 441.508 5.872 10 40 IKCB CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2nc(C)cs2)C1=O 26779786 YKCGKARPVPNQSX-HLXKFHDQSA-N 443.619 5.018 10 40 IKCB Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 26965762 MHNOQLHXSBAWFE-JCMHNJIXSA-N 445.565 5.616 10 40 IKCB Cc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc23)c([N+](=O)[O-])c1 38611058 ZULWYEUQOYBFOW-BYYHNAKLSA-N 440.459 6.738 10 40 IKCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225020944 CGNMWBTYJQLEOP-DHIUTWEWSA-N 431.609 5.108 10 40 IKCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1 408757782 BYQWOMDLBYCIRN-PXLXIMEGSA-N 430.891 5.270 10 40 IKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1cccc(Br)c1 408760369 XMYVZBKHGXJHKG-DEDYPNTBSA-N 437.724 5.937 10 40 IKCB O=C1NC(=S)S/C1=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12 408926784 YMVPRYGCGSZNBB-UCQKPKSFSA-N 427.550 6.061 10 40 IKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 409340450 XMBZFWQRLWYQQC-XDHOZWIPSA-N 433.982 5.933 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC 409348192 RXVSQPZPJMMBLV-UNOMPAQXSA-N 431.604 5.612 10 40 IKCB O=C1/C(=C/c2cc(Br)cc(Cl)c2O)SC(=S)N1c1ccccc1 3044090 AORDDZSDURWULY-QPEQYQDCSA-N 426.744 5.214 10 40 IKCB O=[N+]([O-])c1cccc([C@@H]2[C@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)c1 6444714 YBSJBYCBSDKPCS-DJIOSBNXSA-N 449.348 6.252 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)OCc1ccccc1 8765862 ACDPOKNGWQUGJC-SILNSSARSA-N 425.575 5.192 10 40 IKCB COc1ccc(/N=N/c2ccc3oc(=O)c(C(=O)Nc4ccc(Cl)cc4)cc3c2)cc1 18031698 VEKUUVRAVGECSD-CYYJNZCTSA-N 433.851 6.123 10 40 IKCB C[C@@H](NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 104542830 ZUDWFZUHOPRPLS-ACXHEAHGSA-N 448.567 5.266 10 40 IKCB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 144199654 YFDRZHCYYNPAFX-HMAPJEAMSA-N 432.501 5.260 10 40 IKCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4SC[C@@H](CC)N43)c2C)cc1 222696150 UDGOQJBMROSJDX-ZPZUNKDASA-N 430.621 6.031 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)cc(C)c4)c3C)N21 222701434 HKTCNSPIYPBMAI-KSNOWIBYSA-N 430.621 6.085 10 40 IKCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222924710 BIFBEYZEYVRVQZ-NOZRDPDXSA-N 432.637 5.734 10 40 IKCB COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C(=O)O2)cc1 408740977 GAVXVUJILHXTSW-DEDYPNTBSA-N 432.447 5.403 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2F)c1 408846807 ZBYARHULZYEXIT-KGENOOAVSA-N 435.296 5.731 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 1186851 GKFUBJUHZQOATQ-QNGOZBTKSA-N 438.618 5.486 10 40 IKCB Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)n1-c1ccc(F)cc1 3245961 REUYYMJEEGXLMG-XORNHQRDSA-N 429.532 5.394 10 40 IKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C1CCCCC1 9296456 HSPPDAOIBBQBIV-WOJGMQOQSA-N 438.401 6.787 10 40 IKCB Cc1c(NS(=O)(=O)c2ccc(F)cc2)cc(-n2c(C)c(C)c3ccccc32)c(O)c1C 16779646 ZYXAWNIYJZVAAY-UHFFFAOYSA-N 438.524 5.510 10 40 IKCB COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1OC 17315697 GGVCXOUKAXNJKR-FYJGNVAPSA-N 444.483 5.273 10 40 IKCB CC(C)c1ccc(CSc2nnc(SCC(=O)c3ccc(O)c(O)c3)s2)cc1 23597971 QJCPHDCJSVJFNR-UHFFFAOYSA-N 432.592 5.340 10 40 IKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)cc1 58845909 PGZBSNRGWDIGHF-OBTVHEKISA-N 444.600 6.239 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223094564 ZLIXWXLEUUZJDC-FTJBHMTQSA-N 444.648 6.103 10 40 IKCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@H]1CC=C[C@@H]21 408736470 VAIYKLBZPQSXEC-DXBVXKBHSA-N 439.555 6.577 10 40 IKCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)c1 408879851 HHQDFHNISRIHOL-FYJGNVAPSA-N 448.881 5.045 10 40 IKCB Cc1cccc2c(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)c(-c3ccccc3)[nH]c12 408963977 KOELVUANHBGGPW-QNGOZBTKSA-N 445.444 6.492 10 40 IKCB CCCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2C)C(=O)N(c2ccccc2)C1=S 409013654 CIHANKNIVNVBCV-OQKWZONESA-N 443.572 5.048 10 40 IKCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccccc3)cc2)C1=O 409239737 QAGXPKJKUNFTDD-XMHGGMMESA-N 448.931 5.466 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc(Cl)c1O 409329303 DJBFOHIEUKYWMF-XDHOZWIPSA-N 441.961 6.003 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(F)F 409340891 BMBUOGDQMHKWNY-MHWRWJLKSA-N 441.908 5.746 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)c(C)c1 409392687 NEMIWIIQMSFCNO-CFRMEGHHSA-N 427.573 5.098 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 13801428 MYTXWHWPCPVQBJ-YVLHZVERSA-N 434.945 5.018 10 40 IKCB C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cc(Cl)cc(Cl)c3)c2C1 34877735 MOZHDJQSAFGFOJ-LBPRGKRZSA-N 449.175 6.979 10 40 IKCB COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 58845973 JGZHKNBWDPVSTH-PPJWLVRDSA-N 446.572 5.631 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc2ccccc12 222610582 LZXJBZYRQQTJJP-IMDCKVJKSA-N 438.600 6.232 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(F)(F)F 222737898 CPPPPYHVMOMXQF-VQTJNVASSA-N 430.499 5.110 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1Br 408739221 UIUFOZJEHQCGNV-XSFVSMFZSA-N 446.344 6.237 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 408842475 OARXFUSKFGGIHO-CJLVFECKSA-N 447.332 5.682 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)SC1=S 409005719 KGAXREKIORYOSQ-SXGWCWSVSA-N 442.364 5.933 10 40 IKCB O=C1/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(c2ccccc2)=NN1c1ccccc1 409080463 IAISSWPRCZURIA-DIBXZPPDSA-N 448.497 6.239 10 40 IKCB C[C@H](C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1)N1C(=O)c2ccccc2C1=O 991755 BQLQFYCPEIZLHS-QGZVFWFLSA-N 436.467 5.255 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(C)cc1)N1CCCC1)c(O)c1ccccc12 2667763 MFGPNBZKRBMEIK-VWLOTQADSA-N 443.543 6.270 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(C)c(C)c3)cc2)SC1=S 2882672 PLLZKFCPZRFWDK-QNGOZBTKSA-N 427.591 5.372 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 3768802 MDAFNNBLJAHSBD-RNEAKCBISA-N 448.407 6.032 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1 9161435 BOHVVATWXFGPEW-RLPJPJOASA-N 449.580 5.302 10 40 IKCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(F)c2)C1=O)=C\c1ccccc1 11612237 SFIMKRZIBOMPQS-SDEVTQOVSA-N 440.565 5.392 10 40 IKCB Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccccc3)cc(Cl)c2O)c2ccccc12 16779681 STJTXCQQIJZBAX-UHFFFAOYSA-N 426.925 5.407 10 40 IKCB CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)SC1=S 32109506 YLBGFQSOSQTEAU-PXNMLYILSA-N 444.792 6.057 10 40 IKCB CCCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)SC1=S 59418260 HBJZLGFSHBIOAY-XDHOZWIPSA-N 433.982 5.539 10 40 IKCB CN(C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 408735959 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O=C1/C(=C\C=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 408721623 VRFTZFNTHHAIJL-RFEFPKJKSA-N 447.335 5.319 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2Cl)cc1 408764879 NOFOGGUTSLHJFN-HYARGMPZSA-N 448.906 5.200 10 40 IKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2cccc(C)c2)cc1 408765086 ZGLOPHPMOJHUOX-PXLXIMEGSA-N 447.332 5.601 10 40 IKCB O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 408844531 UBVLOGDKKRTASX-DEDYPNTBSA-N 437.268 5.128 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408902353 NFBUBRVQDSKYJI-PXLXIMEGSA-N 432.614 6.371 10 40 IKCB Cc1cc(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)n1-c1ccccc1F 3346217 YJXJXHKBCYZVDN-UHFFFAOYSA-N 437.486 5.610 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 8821420 MBHWLFYAUUZCBH-DEDYPNTBSA-N 425.962 6.568 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 9188502 VTWRKKAWEOCOPO-KQWNVCNZSA-N 447.581 6.070 10 40 IKCB CC1=CN2C(=N)/C(=C/c3cn(Cc4cccc5ccccc45)c4ccccc34)C(=O)N=C2S1 9192013 ARLADEVHVBVSQP-FSDAICMFSA-N 448.551 6.010 10 40 IKCB CC[C@@H]1CCCCN1Cc1c(O)c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc12 20329101 PSQOCDMLJRKTTP-GOSISDBHSA-N 425.956 5.816 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 72106833 XOJFTQZLFOESNH-OYKKKHCWSA-N 425.919 6.149 10 40 IKCB Cn1nccc1-c1c2oc3c(O)c(O)ccc3c2nc2c1c(O)nn2C1CCCCCCC1 95477648 LIVJYAUBNONWFT-UHFFFAOYSA-N 447.495 5.133 10 40 IKCB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 100555839 KGNSGJYDOPLOHH-HYARGMPZSA-N 436.433 6.091 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc2[C@H](C)CC1(C)C 208315245 HNNRSMHXUPIXLI-NXUSMQHESA-N 437.584 6.329 10 40 IKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3Cl)C2=O)cc1 408719264 KLCKPVZXAFKONQ-QGOAFFKASA-N 430.982 5.228 10 40 IKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C 408755056 BHRHBNWQBGEHOP-BUVRLJJBSA-N 440.934 6.102 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C(=O)O)cc2C)cc1 408767243 KNSCHFFYPPCHNF-KGENOOAVSA-N 440.455 5.381 10 40 IKCB CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3OC)C2=O)cc1 799738 MKVICTMTYWJDCW-XLNRJJMWSA-N 425.484 5.343 10 40 IKCB CSc1ccc(C=C2C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc(C)c3)C2=O)cc1 2532805 WLNCPOKREPTGMH-UHFFFAOYSA-N 442.540 5.609 10 40 IKCB Cc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1 13025269 WHXHSPZBUQKSMM-VWLOTQADSA-N 445.563 5.101 10 40 IKCB Cc1cc(/C=C2\N=C(S)N(C)C2=O)c(C)n1-c1ccc(Br)c2ccccc12 19631320 PWDWKJLJCWMUEQ-WQRHYEAKSA-N 440.366 5.109 10 40 IKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1 112292474 PVXASWAJIPPOPB-XHPQRKPJSA-N 441.531 6.376 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(OCC)cc3)C2=O)cc1 408762677 KTKZORNNEFOZOW-JJIBRWJFSA-N 430.479 5.458 10 40 IKCB O=C1/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1 408965196 UMBVHWVOXHVQDF-QGOAFFKASA-N 430.476 5.902 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1OC 409182721 OHQDJHZDKRXQLV-CHHVJCJISA-N 444.336 5.556 10 40 IKCB CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 409204511 HOPMIESLQZZGQG-FHXOWUIVSA-N 448.407 6.032 10 40 IKCB O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1Cc1ccccc1 2054278 VKFUPNLKOGRRAK-ODLFYWEKSA-N 446.380 6.655 10 40 IKCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C 2301427 IPMVBBPLDKTQIY-MOSHPQCFSA-N 435.574 5.077 10 40 IKCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1C1c2ccccc2Oc2ccccc21 4769087 QRBYJKAETWUSQJ-MTJSOVHGSA-N 445.521 5.512 10 40 IKCB CC(C)(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 8820345 NFGXFBKPXIBVSR-XDJHFCHBSA-N 442.606 5.088 10 40 IKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 9282798 AOYCMJFINWQUBF-GICBFTDPSA-N 425.945 5.085 10 40 IKCB CCCN(CCC)c1nc(-c2ccc(O)cc2)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1 19074580 BFWUHIHESOBGRU-WCWDXBQESA-N 425.514 6.466 10 40 IKCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1 33149743 ZARNVMHVZHOWIM-PWEWXPAOSA-N 430.892 5.404 10 40 IKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N4)sc2c1 58851190 WVCJLWAZWSAWRQ-RNHFSVANSA-N 439.540 7.006 10 40 IKCB C[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 219424190 IDJCCCMYSQLHIC-RTWAWAEBSA-N 437.603 5.151 10 40 IKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(F)c1 224165338 WADNPAUUJKIUKX-DQEYMECFSA-N 442.563 5.805 10 40 IKCB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)cc2)n1 260899409 LBGOAVNAFNFGSJ-UGKGYDQZSA-N 430.596 5.276 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)SC1=S 409007769 RFUJDZIZIKMIJC-YVLHZVERSA-N 438.401 6.102 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S 8821264 BTDALUPJOMNBBD-JLPGSUDCSA-N 445.609 6.542 10 40 IKCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 11914833 QPRWHIVOIRUFEK-UHFFFAOYSA-N 435.911 5.497 10 40 IKCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=N)N12 12631160 FAOGFBMOLCRCMR-CHMHAOGKSA-N 430.455 5.280 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4)ccc3o2)cc1 16678568 WRLXIEWSTFYNRR-UHFFFAOYSA-N 429.520 5.667 10 40 IKCB Oc1ccc2c(oc3c(-c4cccnc4)c4c(O)nn(C5CCCCCC5)c4nc32)c1O 95479510 JXXPODPVNJHWQR-UHFFFAOYSA-N 430.464 5.405 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccc4C)c3C)N21 222700931 NFAFOEULHVJDBZ-NIJXNBFTSA-N 430.621 6.085 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222965164 OKEYUWIUNVVXKE-XZOQPEGZSA-N 439.028 5.915 10 40 IKCB O=C1/C(=C\c2ccccc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1 408753840 KQFCGODJPVQZRI-XMHGGMMESA-N 432.907 6.528 10 40 IKCB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1 2234342 OVMTYXTUUIVOPG-OOWIMERYSA-N 437.524 5.569 10 40 IKCB CCc1sc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc1-c1ccccc1 10342354 HUEYVHBJNAASTD-UHFFFAOYSA-N 428.457 5.072 10 40 IKCB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 58846742 ITYKXXNHQKJZSW-CLCZQPDDSA-N 444.600 6.437 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)S2)cc1 208452285 HPXSVRPNEKOYRZ-UCQKPKSFSA-N 447.604 6.108 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)N21 222699742 AKFNTNQDERCJSM-OFAXGOBFSA-N 446.576 5.167 10 40 IKCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)cc21 260784196 VJEGXGJRFFIKAG-VXKWHMMOSA-N 441.044 5.748 10 40 IKCB Cc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1ccc2ccccc2c1 408734563 IAHWDUCJYKOUDL-UHFFFAOYSA-N 425.557 6.503 10 40 IKCB COc1cccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 408759486 FXLXNZDONGHYLQ-RCCKNPSSSA-N 433.305 5.292 10 40 IKCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1cccc(Br)c1 408843111 QIPODKFTMCIQFW-CPNJWEJPSA-N 448.276 5.192 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)cc1C 408865358 BYOWAOFVJKWNBE-PXLXIMEGSA-N 444.918 5.214 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1 408999773 SJIHBCIVRBJUEI-PXLXIMEGSA-N 437.326 6.227 10 40 IKCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409127241 QJPDMONRQMPHSF-WQRHYEAKSA-N 443.311 5.654 10 40 IKCB CCN(CC)Cc1cc(Nc2c(C3CCCC3)c(C)nc3cc(Cl)ccc23)ccc1O 1695615 IVXCCSZKWUMDNY-UHFFFAOYSA-N 438.015 7.145 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N=C2S1 41083254 ISCZHCGSLHUAJM-NIHHYISTSA-N 433.320 5.529 10 40 IKCB COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222922001 OOUWBKCZBRBBCN-ZEQRLZLVSA-N 434.609 5.126 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225018984 ONOUHUKRURQPNN-IZZNHLLZSA-N 444.648 6.021 10 40 IKCB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 225669891 MBZSJKNJVSWNHE-CVEARBPZSA-N 446.016 5.411 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408760518 ACWVPMBGFSZBLI-PXLXIMEGSA-N 437.326 6.227 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 408774335 ZLDUMEAEORYQCN-XPCGLTFESA-N 448.548 5.164 10 40 IKCB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)c(C)c1 2370911 MEZQRAXGFKTJCK-STZFKDTASA-N 449.601 5.515 10 40 IKCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccccc1C(C)C 9762511 ASJFTTCUOQKUOR-STZFKDTASA-N 443.590 5.155 10 40 IKCB C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17102232 HTDRKYCDYARKQR-BWAHOGKJSA-N 438.506 5.164 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 59435667 BROLJUADDCZBAT-UQQQWYQISA-N 439.511 5.138 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1C 208231636 AAWBSGAVXRVQGX-ZFJBLLOBSA-N 445.563 5.000 10 40 IKCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccccc4)=NC3=O)cc21 208242006 BMEDYKZFYZAABP-LPKQHDGYSA-N 425.985 6.144 10 40 IKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C 208510719 OWKMCYBANWEMJX-UCQKPKSFSA-N 432.589 6.253 10 40 IKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1 222920351 JABHMNBXAWXYLW-XZOQPEGZSA-N 439.028 5.771 10 40 IKCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O 409247033 FZDMDSAVRJXUPR-OEAKJJBVSA-N 449.938 5.239 10 40 IKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c(C)c1 9309011 KSDJBSALAVDORY-QCIUGURRSA-N 433.581 5.376 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc4ccccc34)C2=O)cc1 13801570 GUNXOVNNHNNGGS-JWGURIENSA-N 446.597 5.768 10 40 IKCB CC(C)C1=NN2C(=N)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C(=O)N=C2S1 13942779 JTNAMIRFSUPAIJ-JNTYBJLZSA-N 438.940 5.194 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1Cl 15277408 AVPKPXVQWBJEAK-VIZOYTHASA-N 425.318 5.616 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)O)cc3C)C2=O)cc1 408985874 NULITUBJZZSHDF-CJLVFECKSA-N 425.484 5.563 10 40 IKCB O=C1/C(=C\c2ccccc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1 408999536 LMVPFROAZDWEKQ-XMHGGMMESA-N 449.362 7.043 10 40 IKCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)C1=O 409012632 QZOLWQMSBAOHRY-VDCVXVNISA-N 432.929 5.281 10 40 IKCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 409013143 SZPWYWNUJLFELC-SGEFVQMOSA-N 433.371 5.691 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC 409330082 KEVDOJHRLPSJSL-UNOMPAQXSA-N 448.009 6.160 10 40 IKCB CCn1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 409338016 BLGLKTOIDSPYFZ-WQRHYEAKSA-N 443.391 5.830 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C(\C)c3ccc(Br)cc3)SC2=S)cc1 2700286 RFICBRQEOIZEDN-ATVHPVEESA-N 434.380 5.644 10 40 IKCB Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S 20324890 LACLXXVGKJREGO-UYRXBGFRSA-N 437.611 6.595 10 40 IKCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O 223562170 POMVDIQAMVGMLL-MBTVCVBTSA-N 444.597 5.175 10 40 IKCB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O 408641458 LRFGAXDTIDKLDM-NRFANRHFSA-N 436.511 5.932 10 40 IKCB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 408801804 BVIJOTOFYUGWSF-UHFFFAOYSA-N 440.951 5.958 10 40 IKCB COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(Cl)cc1 408842781 KVIMEJYICHMPON-CJLVFECKSA-N 431.923 5.249 10 40 IKCB COc1cccc(/C=C2\SC(=S)NC2=O)c1OCc1ccc(Cl)c(Cl)c1 408889309 BQFZGIQBWNWZTN-NVNXTCNLSA-N 426.346 5.070 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 408903912 BCXVESUMFGMHGI-FYJGNVAPSA-N 446.890 5.423 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(O)=NC2=S)c1C 1789674 VEZMGJIUDBEMDH-KGENOOAVSA-N 429.545 5.383 10 40 IKCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 3768898 KJKMOWKQEIPSQY-UDWIEESQSA-N 443.952 6.437 10 40 IKCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 6674849 ZXOVKVFOSODJLQ-XDHOZWIPSA-N 438.486 5.269 10 40 IKCB O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 13381959 JMZLFTVBMPZFSD-MMKMLUHNSA-N 445.946 5.533 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCCCOc1ccccc1 13940248 XLUMMXOKYAPUDX-MOHJPFBDSA-N 446.934 5.994 10 40 IKCB FC(F)(F)c1cc(NC(=S)NCc2ccc(N3CCCCC3)cc2)ccc1Cl 225416578 DFHPHAGEMJCJNP-UHFFFAOYSA-N 427.923 5.836 10 40 IKCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 408757132 XHIXWSQAOXWJNY-XSFVSMFZSA-N 437.724 5.937 10 40 IKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 409018129 RUDGNTYPEWAEGI-MOSHPQCFSA-N 433.891 5.384 10 40 IKCB CCCn1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c2ccccc21 409342897 FELLOGPSNIZRHU-JAIQZWGSSA-N 442.993 6.119 10 40 IKCB C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cccc([N+](=O)[O-])c3)c2C1 2512806 RWYCNUXYYDFBSO-CYBMUJFWSA-N 425.282 5.580 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc(Br)c1OCC 8496950 DBCGROGHGBXCOB-LICLKQGHSA-N 447.304 5.192 10 40 IKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C 17167394 WAQUQVBDXHPRPU-XYGWBWBKSA-N 446.591 5.716 10 40 IKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 19933717 DNYCKEPSLKUBFP-UHFFFAOYSA-N 446.616 5.778 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 41082884 XLTJRSAMLCEVNM-FTNSYOLJSA-N 433.581 5.466 10 40 IKCB O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422909 VFKYTCMJRQLLSS-SRZZPIQSSA-N 448.613 5.289 10 40 IKCB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Br 218828736 DEMPXIJIZANHER-GOSISDBHSA-N 445.401 5.250 10 40 IKCB O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 408530568 MMBALMJQXGXALL-ZDLGFXPLSA-N 446.380 6.214 10 40 IKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2C(=O)O)o1 408842609 OXSXSVCWBLAGBW-WOJGMQOQSA-N 441.270 5.758 10 40 IKCB Cc1cc(/C=C2/SC(=S)NC2=O)cc(C)c1OCc1ccc(Br)cc1 408858540 SWRNJWXREVUPBL-CXUHLZMHSA-N 434.380 5.134 10 40 IKCB O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1CCc1ccccc1 409130127 LVSPYUSIHPPCHP-ZDLGFXPLSA-N 443.391 5.374 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)cc1 409243127 YUQZIESTVJBNDI-MFKUBSTISA-N 427.548 5.619 10 40 IKCB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCO2)CO3 2113233 WKXQGKVVLVDZLH-UHFFFAOYSA-N 441.483 5.086 10 40 IKCB biogenic O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O 2244475 FPMGQBAGCQQQDC-VXPUYCOJSA-N 430.510 5.207 10 40 IKCB O=C1/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1 8871603 MFUHZAQPUIQSMR-ZTJWTMSASA-N 437.329 5.777 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1C1CCCC1 13073947 PUMQUNAGCZLHSB-YVLHZVERSA-N 434.926 5.652 10 40 IKCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)SC1=S 15912504 TYEUESJMYCGGEU-LZYBPNLTSA-N 444.931 5.987 10 40 IKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(Br)c1 103918873 PYBWPDQSGWJANT-UYRXBGFRSA-N 443.301 5.246 10 40 IKCB Nc1cc(N)c(Oc2ccc(C(=O)O)cc2)cc1/N=N\c1cc([N+](=O)[O-])cc(Cl)c1O 104221648 CENOLHYYCDBPJU-VHXPQNKSSA-N 443.803 5.024 10 40 IKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(Cl)cc1OC 112291422 LOPOAYGOYWABPQ-HMAPJEAMSA-N 443.931 5.255 10 40 IKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 222966867 GBXYAGUTONAEIG-RPWUZVMVSA-N 434.609 5.270 10 40 IKCB S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCOCC1 408734651 BHKWKIXIXACOFL-UHFFFAOYSA-N 425.513 5.085 10 40 IKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1 408766894 WMTWOAHKTAHKCP-XMHGGMMESA-N 432.907 6.528 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1ccc(Br)c(C)c1)C(F)(F)F 409000317 VIUBAHBOHKINJX-MSUUIHNZSA-N 438.247 5.409 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)ccc1OCc1ccccc1 409054359 VDGOAIBTWCKARG-HZHRSRAPSA-N 426.512 6.262 10 40 IKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 409197537 ICCAVVXNTRROND-NCUBORBFSA-N 448.407 6.032 10 40 IKCB O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(Cl)cc1Cl 409340578 ZOOWKMPQQWVGDM-AUWJEWJLSA-N 434.291 6.418 10 40 IKCB COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1 2488550 IBIOMFGDGXSFOT-PPJWLVRDSA-N 446.572 5.631 10 40 IKCB CCOC(=O)c1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCC3)cc1 2909483 PREWSDSHKGMBEG-UHFFFAOYSA-N 440.590 5.730 10 40 IKCB CC(C)COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 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10 40 IKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 1806754 JMLUPROYLRHOAT-WQRHYEAKSA-N 437.417 6.245 10 40 IKCB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3CC)C2=O)cc1 2282476 SZMUKMILPNFXCY-LTGZKZEYSA-N 438.618 5.432 10 40 IKCB CCOC(=O)c1ccc(/N=N/c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1 32099449 WKISHZXAHUFJNQ-GHVJWSGMSA-N 427.302 5.844 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC)cc3OCC)SC2=S)cc1 33408929 LNLPXBNZMSBJPH-DEDYPNTBSA-N 429.563 5.289 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3O)C(=O)N(c3cccc4ccccc34)C2=O)cc1 59484778 WEVLZGNLGADQCO-HAVVHWLPSA-N 448.478 5.437 10 40 IKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)N21 222699872 AKFNTNQDERCJSM-CDNPAEQRSA-N 446.576 5.167 10 40 IKCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260616386 JXUDNXRHARNZMH-PDOGEWKWSA-N 429.004 5.920 10 40 IKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 408774330 ZLDUMEAEORYQCN-MGSPXPDISA-N 448.548 5.164 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 408937079 HSFPIEGPLBJJLR-HYARGMPZSA-N 448.881 5.500 10 40 IKCB O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1cccc2ccccc12 409349450 QCGHNIXCYDUVPJ-WQRHYEAKSA-N 444.350 6.147 10 40 IKCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccccc2Cl)SC1=S 2874365 ODMHFOYZVPWRLK-RGEXLXHISA-N 433.982 5.409 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)S2)cc1 8821694 LWFXHJREJFZTGI-HAHDFKILSA-N 448.975 6.564 10 40 IKCB O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1C1CCCCC1 8970279 UAOZOIQHISAKDT-JCMHNJIXSA-N 427.504 5.324 10 40 IKCB CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Cl 59136050 CVXVVYZFBLOYDP-YRNVUSSQSA-N 439.295 5.203 10 40 IKCB COc1ccc(/N=N\c2c(-c3ccccc3)nn(C(=S)S)c2-c2ccccc2)cc1 104225394 VAAIDCKFMBXURN-IZHYLOQSSA-N 430.558 6.704 10 40 IKCB CCn1c(Cl)nc2cc(C(=O)N(Cc3cc(C)n(-c4ccccc4)c3C)C(C)C)ccc21 222556448 LCEBAFCVBNLFQD-UHFFFAOYSA-N 448.998 6.168 10 40 IKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223539539 UAVPZCDEMIBAJB-GLFIFPSUSA-N 438.568 6.174 10 40 IKCB COc1ccc(C2=C/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)C(=O)O2)cc1 408742196 NUMBKGLTFBIFCO-UDWIEESQSA-N 432.447 5.403 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408903429 XRDJYKVSRIJWGO-UDWIEESQSA-N 437.326 6.379 10 40 IKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Cl)c1OC(C)C 408969335 MBXZJRHWBSYZHB-DHDCSXOGSA-N 438.833 5.484 10 40 IKCB Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)SC2=S)cc1 409052564 VACAQFWQGPSTGV-IWIPYMOSSA-N 445.609 6.284 10 40 IKCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1Cl 1262886 XCBWOQRBWPCKMS-JXLMVQBASA-N 442.993 5.516 10 40 IKCB CCCCOC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)ccc1Cl 8430291 CAUWCQDDWTUZEM-ZHZULCJRSA-N 425.916 5.324 10 40 IKCB Cc1cc(C(=O)[C@H](C)Sc2nnc(C(C)C)o2)c(C)n1-c1ccc(OC(F)F)cc1 9336995 JNJKBRQNSYVQQG-AWEZNQCLSA-N 435.496 5.565 10 40 IKCB Oc1c([C@@H](c2ccccn2)N2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12 19879785 OOEAPXRETVROJS-SANMLTNESA-N 443.978 6.033 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1Cc1ccccc1 20522414 TYOZOVDDKGLNFR-HMAPJEAMSA-N 435.545 5.806 10 40 IKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccccc4C(=O)O)=NC3=O)cc2)cc1 35042713 FRULRCQIFJBZOE-HYARGMPZSA-N 444.512 5.355 10 40 IKCB Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1 58847054 YGIUJMFUNUNPDP-SGIRGMQISA-N 434.536 5.761 10 40 IKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)S2)cc1 208312689 OOMJDTRSJDUXQB-XYLCRUHJSA-N 433.621 6.444 10 40 IKCB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 225665028 PNZBNUMFIBIFGY-HNNXBMFYSA-N 431.989 5.165 10 40 IKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(ccc(C(=O)O)c4C)[C@@H]4C=CC[C@@H]43)cc2)cc1 408832608 RSEWIHXNKORVMR-DXBVXKBHSA-N 425.528 6.407 10 40 IKCB Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408875091 CVNSRQZHCKHLFI-RCCKNPSSSA-N 444.918 5.214 10 40 IKCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1Cl 408986993 NYWNGNYXFCHMJW-HMAPJEAMSA-N 440.886 5.621 10 40 IKCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408987784 YCMUBDAKUWYVSW-KGENOOAVSA-N 434.366 7.588 10 40 IKCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 409082517 JJOBLSORHCKHEJ-PFSWGADMSA-N 440.373 5.634 10 40 IKCB Cc1c(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc2n1C 693962 GJHBLPQKXMSBEU-WQRHYEAKSA-N 426.339 5.332 10 40 IKCB CCCCN(CCCC)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc12 1747770 MGUUABJEBUCWQP-UHFFFAOYSA-N 448.390 6.875 10 40 IKCB Cc1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1ccc(F)cc1 3450473 KMIUQKHKERSCRD-UHFFFAOYSA-N 436.468 5.517 10 40 IKCB CCCCC1=NN2C(=N)/C(=C\c3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1 8985018 FWKHSHMKGNKQDK-LVQHBLKXSA-N 432.549 5.636 10 40 IKCB COc1ccc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(O)c1 12185670 CKIJEHLVGTZKTO-NRFANRHFSA-N 438.524 5.190 10 40 IKCB O=C(O)c1cc(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 15013179 BNTARNHDZXEHHY-LICLKQGHSA-N 443.242 5.049 10 40 IKCB CCCCC1(Cc2ccc(OC)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 59498130 NRRYSFHXEKABGO-UHFFFAOYSA-N 428.532 5.409 10 40 IKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 83314471 MCJWKFPFLUPCDD-DEDYPNTBSA-N 439.259 5.562 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225014631 CTKIPRASXOHFPI-FTJBHMTQSA-N 444.648 5.967 10 40 IKCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 225690565 MTJKVLWBBXFVJC-CQSZACIVSA-N 441.950 6.082 10 40 IKCB O=C1/C(=C\c2cccs2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 408752194 CATWTJVZNPHYFT-LDADJPATSA-N 443.753 5.999 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(Br)c(C)n(-c2ccccc2)c1C 408904522 KVEYRVLRZZOEKX-XSFVSMFZSA-N 434.337 5.663 10 40 IKCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC)C3=O)c2C)cc1 409124939 CKCMOUVQZTVQLZ-ZHZULCJRSA-N 426.538 5.107 10 40 IKCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3coc4cc5c(cc34)CCC5)c2C)cc1 3358159 VFCYCANEMNNHBJ-UHFFFAOYSA-N 441.527 5.606 10 40 IKCB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 9805182 KNZZMGPKEJZTCU-UNVFRBQDSA-N 448.563 6.070 10 40 IKCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)c1 13510976 JKPRBBCONXVSOD-JWGURIENSA-N 444.560 5.004 10 40 IKCB COc1cccc(N2C(=O)N=C(O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)c1 38168762 GLKIDTGNOKFVLJ-QNGOZBTKSA-N 437.455 5.350 10 40 IKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC 40846778 WCAVNEYXKIJMAV-ZHZULCJRSA-N 429.563 5.289 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 100233084 JSBLPQHIHCCHSR-BUVRLJJBSA-N 436.471 5.404 10 40 IKCB COc1ccccc1C(=O)NN1C(=O)S/C(=C\c2c(Cl)cccc2Cl)C1=S 8765875 YKVDYCDRALBEIV-DHDCSXOGSA-N 439.345 5.184 10 40 IKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2)cc1 9188673 MJUHYHNQGMKJGM-VKINRBECSA-N 445.609 6.536 10 40 IKCB O=C(OCc1cccc2ccccc12)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 12596416 VDTDOZLJQICMFU-UHFFFAOYSA-N 426.855 5.626 10 40 IKCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 16477947 KFTZCQHKBUJKJW-LDADJPATSA-N 436.294 6.163 10 40 IKCB CCc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1 35039186 FTYGQSIHIZMQOJ-LFVJCYFKSA-N 445.609 6.542 10 40 IKCB Cc1ccc(COc2ccc(Cl)cc2/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1 35167759 NXLCMGLFCASSGB-UCQKPKSFSA-N 448.975 6.618 10 40 IKCB Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1 58845668 VOVQEWFAIUNURN-VVZHRXSXSA-N 430.573 5.931 10 40 IKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)cc1 409241130 IZBHGSSRIMQQET-LPYMAVHISA-N 433.939 5.457 10 40 IKCB CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S 409347304 PCFHDAFJMOJMQH-LDADJPATSA-N 448.407 5.639 10 40 IKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(C)ccc([N+](=O)[O-])c4[C@@H]4C=CC[C@@H]43)cc2)cc1 14186272 OHVBKSMMCGXVLP-KHVXQDHOSA-N 426.516 6.617 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1OC 408754722 HGQPWBLAVSEKDO-QGOAFFKASA-N 435.882 5.968 10 40 IKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2F)c1 408759162 ZAXBAOLXDGNJKF-CIAFOILYSA-N 425.290 6.275 10 40 IKCB CCN(CC)c1ccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 408972863 WJBUXWCCORDDHS-BOPFTXTBSA-N 445.371 6.399 10 40 IKCB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)cc1 1759165 IEGSWZFWHRCJIU-ZHZULCJRSA-N 435.574 5.618 10 40 IKCB CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1 3771148 FNRGCAIZZLGPBB-UHFFFAOYSA-N 442.895 5.071 10 40 IKCB Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 10037402 ZPCWCTQGFUOXBM-UHFFFAOYSA-N 433.552 5.133 10 40 IKCB COc1cc(/N=N/c2c[nH]c3ccccc23)c(OC)cc1/N=N/c1ccc([N+](=O)[O-])cc1 18180598 QBIHSRMOMHUBMR-JQRDNDPDSA-N 430.424 6.924 10 40 IKCB Cc1cccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)S2)c1 96663292 VAGQUDISJBPKJD-KQWNVCNZSA-N 436.540 5.930 10 40 IKCB Cc1cc(C)cc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)C(=O)NC2=S)c1 409018465 WVZSFYWHNJKDJY-HYARGMPZSA-N 444.556 5.075 10 40 IKCB COc1ccc(Br)cc1[C@@H]1Nc2c(OC)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21 409155799 CSZCQBFHUXZGDM-VLXJIEOASA-N 431.286 5.201 10 40 IKCB CCCn1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 409345369 LPBZLRIPEHQNQD-YBFXNURJSA-N 446.519 6.476 10 40 IKCB O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2cccc3ccccc23)nc2ccccc12 3291141 GHOMDWWIKQCAQR-UHFFFAOYSA-N 434.495 5.439 10 40 IKCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 33581929 YKJWPAIZOJKGMN-HUMIGVHUSA-N 443.985 5.077 10 40 IKCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(C)cc1 40006123 JLUCWXCITJIXQG-MTJSOVHGSA-N 427.591 5.440 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222837285 YHWRBGRAMRROCY-NOZRDPDXSA-N 432.637 5.741 10 40 IKCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225019019 ONOUHUKRURQPNN-UIOOFZCWSA-N 444.648 6.021 10 40 IKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSCc3c(F)cccc3Cl)cc2)C1 260466223 INIWEZKKWNDJGP-IRXDYDNUSA-N 435.008 5.826 10 40 IKCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1 409345796 JXMDTPROEWXCCC-NDENLUEZSA-N 439.945 6.208 10 40 IKCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(C)c1 2208608 WVTGUENBQUAVEO-UYRXBGFRSA-N 445.009 5.577 10 40 IKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 8819750 PBZKNOCUJRBTKX-HKWRFOASSA-N 440.590 5.101 10 40 IKCB CCCCc1cc(=O)oc2c(CNc3ccc(OCc4ccccc4)cc3)c(O)ccc12 9411004 RMILYSDKRSHCQY-UHFFFAOYSA-N 429.516 6.032 10 40 IKCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1C(=O)c1ccc(Cl)cc1 18194980 ZSOMGOYODAJYLG-NTEUORMPSA-N 438.755 5.144 10 40 IKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1C 20324856 ILNGLXUQIWFJOM-MOSHPQCFSA-N 437.611 6.595 10 40 IKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 33619140 CTMOWMGLAVFBDG-VHDUERLVSA-N 447.608 5.856 10 40 IKCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2C(C)=CC1(C)C 208514145 DUFBQOJTOROMGQ-UDWIEESQSA-N 449.938 5.028 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(C)n1-c1ccccc1 215109250 RINSFXAAMXXSNS-SRZZPIQSSA-N 440.927 6.123 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccncc1 6136414 QMYQJNUFVMBZKV-KGENOOAVSA-N 434.542 5.075 10 40 IKCB COc1ccc(-c2cc(=O)oc3c(C)c(O)c(CNCc4ccccc4Cl)cc23)cc1 8743385 YAGFEBFXPMPOGE-UHFFFAOYSA-N 435.907 5.426 10 40 IKCB CCCN1C(=O)/C(=C\c2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S 9233535 XWSQDDPYYWYWBO-LDADJPATSA-N 433.982 5.539 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 9309481 KPVOQMXNAJFQPD-XCOJNYNVSA-N 449.923 5.008 10 40 IKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 11859522 WVDIMIVWIGYONS-IECBHUPTSA-N 441.402 6.836 10 40 IKCB COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 13634610 KLLKBTDTOANIRJ-SGIRGMQISA-N 432.545 5.323 10 40 IKCB O=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCCC[C@@H]3c3cccnc3)c(O)ccc12 36569538 GGFIGEDMAZGBAL-HSZRJFAPSA-N 446.934 5.941 10 40 IKCB biogenic Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1 224173115 ZZWGGCOAFKCPJD-DQEYMECFSA-N 439.588 5.370 10 40 IKCB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C 225669515 RVUBLMRHXMVTPT-AEFFLSMTSA-N 425.598 5.066 10 40 IKCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260786594 YKXBYXVUZZMYIS-AIYSXCBHSA-N 437.012 6.040 10 40 IKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)SC1=S 409008057 VKJGCYUPPOPASL-HMAPJEAMSA-N 435.570 5.649 10 40 IKCB COC(=O)c1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCCC3)cc1 2909495 VIKBJKCBQVAVGS-UHFFFAOYSA-N 438.524 5.417 10 40 IKCB Cc1oc2ccc(O)c(CN3CCC(C)CC3)c2c1C(=O)Nc1cccc(Cl)c1C 5182637 GPRDCXZIZHSSOZ-UHFFFAOYSA-N 426.944 5.893 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc12 6924696 FEUCSBFVUCVNQY-YBFXNURJSA-N 445.487 6.273 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OCC)cc4)c3C)C(=O)N=C2S1 9191916 XRZGKZUNAFZCKQ-FTNSYOLJSA-N 449.580 5.302 10 40 IKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 16678609 JVSXSIJBOAAPBR-UHFFFAOYSA-N 430.464 5.502 10 40 IKCB CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccccc2O)Nc2ccccc2S3)cc1 17095880 IWGHOXXHBAKYFF-JOCHJYFZSA-N 428.513 5.041 10 40 IKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccccc2Cl)cc1 17099727 NWTLXAMYFFJEIQ-JCMHNJIXSA-N 435.886 5.625 10 40 IKCB S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(Cc2ccccc2)CC1 23115452 HKZMFCNYYNPEGF-UHFFFAOYSA-N 431.388 5.747 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Br)cc1 100208135 CXQXMGPFOZRLJR-UYRXBGFRSA-N 426.310 5.025 10 40 IKCB O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N\c3c(O)nc4ccccc4c3O)cc2)cc1 104366937 QPJSTTPQEFBUTQ-RUFRKCMOSA-N 449.448 5.724 10 40 IKCB O=C(c1ccc2nc3ccc4ccccc4c3nc2c1)N(C1CCCCC1)C1CCCCC1 408722003 NZFSPADHBSMUMI-UHFFFAOYSA-N 437.587 7.044 10 40 IKCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 408912297 QGUNWRVZLRDJBJ-YBEGLDIGSA-N 445.233 5.059 10 40 IKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 408985580 NCUMAWJOYUSPFC-HAVVHWLPSA-N 443.974 7.333 10 40 IKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(F)c1 409235904 CXIDOQAGQCTOCQ-SRZZPIQSSA-N 440.927 6.123 10 40 IKCB CSc1cccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c1 409346718 NQDKODFMSCATED-OVCLIPMQSA-N 440.384 5.716 10 40 IKCB O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1c1cccc2ccccc12 409351328 UBJHMEQJCWNTPD-RCCKNPSSSA-N 445.590 6.990 10 40 IKCB O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)SC(=S)N1Cc1ccco1 1071253 VZTAPRZZVREPEW-NDENLUEZSA-N 425.506 5.399 10 40 IKCB O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1c1ccccc1 1302581 ICEQMRLARYPMNR-PXLXIMEGSA-N 437.524 5.361 10 40 IKCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 2412982 PSRZHDYRLDBLRY-ATKCCKKESA-N 443.985 5.077 10 40 IKCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C 8872525 IWXSKZJRKQALGP-UCQKPKSFSA-N 444.531 5.177 10 40 IKCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1CCOc1ccccc1 12466966 OPOOYZXOGHPQQF-XLNRJJMWSA-N 433.554 5.759 10 40 IKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)c(F)c1 12544424 OVRJRYRHVIQTKM-UHFFFAOYSA-N 434.334 5.028 10 40 IKCB OC1CCN(c2ccc(CNc3ccc(Br)cc3C(F)(F)F)cc2F)CC1 72301813 RXPSVDSANKQXPT-UHFFFAOYSA-N 447.270 5.180 10 40 IKCB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 222937793 PNZIDHDSCUSQIB-QFQXNSOFSA-N 436.640 6.255 10 40 IKCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c2cccnc12 225657809 FAHTWXYEUJQQBD-SFHVURJKSA-N 434.609 5.527 10 40 IKCB Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)cc1 408848679 XRXFAQLQWMYEII-HYARGMPZSA-N 431.333 5.900 10 40 IKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 409155343 PNTQJFVRXWSMLW-PBFPGSCMSA-N 428.679 6.948 10 40 IKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccncc1 409350301 XVTAOJPBGYVHEY-HYARGMPZSA-N 448.569 5.383 10 40 IKCB Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)c2c1C 2889017 AQQNLFJJEHQQJG-UHFFFAOYSA-N 442.009 6.344 10 40 IKCB Cc1oc2c(CN3CCCC[C@@H]3C)c(O)ccc2c(=O)c1-c1ccc(Br)cc1 9075555 UTZOOJMZMLLULY-AWEZNQCLSA-N 442.353 5.611 10 40 IKCB biogenic Cc1cc(I)cc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 36239944 XHUJUZMMNHEFPO-BXWFABGCSA-N 432.261 5.334 10 40 IKCB O=C1C(=Cc2ccc(Cl)cc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 59391353 WECDATMHECXWJR-UHFFFAOYSA-N 437.282 5.577 10 40 IKCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1 100208044 WPFGNYCROXFNHL-PDGQHHTCSA-N 446.728 5.370 10 40 IKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 222966926 GBXYAGUTONAEIG-BJKOFHAPSA-N 434.609 5.270 10 40 IKCB CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 408761379 JEXUNVPVTOLQCA-JJIBRWJFSA-N 430.479 5.458 10 40 IKCB COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(C)C 409338021 BPYBOAQSRNCKGX-JAIQZWGSSA-N 445.631 5.858 10 40 IKCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 409367464 ALBJXEDGHYXGKU-VGOFMYFVSA-N 442.324 5.070 10 40 IKCB O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)cc1 4266014 WPRIAWYSRMCFKP-FLFKKZLDSA-N 446.466 5.011 10 40 IKCB Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cccnc12 6721267 GHNCLEMOWSJPEL-UHFFFAOYSA-N 426.582 5.645 10 40 IKCB Cc1ccc2c(c1C)N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 58928545 VQYWZNFTQDDXRS-DXBVXKBHSA-N 426.516 6.617 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409332384 QZHILPBDARTHCY-WQRHYEAKSA-N 442.905 5.914 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OC(C)=O 727744 FVOWRICERHTKTC-CXUHLZMHSA-N 433.291 5.124 10 40 IKCB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(C)cc1 3672724 XVEQCUIDZBYRBT-VWLOTQADSA-N 432.955 5.642 10 40 IKCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc1 8997589 ZUKXWJVDBBDCBW-FBIWUZAXSA-N 449.605 5.043 10 40 IKCB Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1Cl 9235134 HXNBAKBZZRDDLX-FNSVQNJISA-N 439.972 5.413 10 40 IKCB Cc1cc(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c(C)n1-c1ccc(OC(F)F)cc1 12531786 SUSVPQMVFQGZDG-IBGZPJMESA-N 446.277 5.005 10 40 IKCB N=C1/C(=C\c2ccc(Br)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 13788377 XHTPASXKFLXSNL-ISFDWQSPSA-N 445.386 5.429 10 40 IKCB CCc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 17102619 LXLCNTDKJCPMBH-QJOMJCCJSA-N 438.556 5.996 10 40 IKCB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)SC1=S 33424664 KROTYORUTVYSQU-WQRHYEAKSA-N 448.407 5.558 10 40 IKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C 223343143 PMYIYZBHALOIHH-RPBOFIJWSA-N 442.588 5.563 10 40 IKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 408768802 JMIFRCUJRFCVFR-XMHGGMMESA-N 427.416 5.283 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCC 409329874 IDCZQHCXXBQXMR-YVLHZVERSA-N 437.945 5.682 10 40 IKCB CC1(C)CC(=O)c2cc(-c3cccc(Br)c3)n(-c3cccc(Cl)c3)c2C1 2512754 KWXMZUBMUPRURV-UHFFFAOYSA-N 428.757 6.715 10 40 IKCB Cc1cc2c(n1-c1ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc1)CC(C)(C)CC2=O 2561624 XVDPCBFOFKJYMJ-UHFFFAOYSA-N 440.465 6.212 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1Cc1ccco1 8821318 GKUIAGBYIZQRLJ-NDENLUEZSA-N 441.961 5.913 10 40 IKCB N=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12 13786121 MDHJAUBFUQLHFT-SZRLJQQQSA-N 431.904 5.904 10 40 IKCB O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12 20059497 SLSIDMAGUXZGIP-LPYMAVHISA-N 432.882 6.006 10 40 IKCB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S 27018279 CHCQIZGOAKVLOS-HMAPJEAMSA-N 447.629 6.192 10 40 IKCB N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 32518645 NGVUEBALZWISSV-JLFKZYKSSA-N 431.904 5.904 10 40 IKCB CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 35644933 NLVJJSJAOWCZIQ-LFVJCYFKSA-N 444.556 6.055 10 40 IKCB CCN(CC)c1ccc(CN2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1 57719967 HROMLWMBWRQNBT-UHFFFAOYSA-N 430.596 5.249 10 40 IKCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 100147390 YHNYKAIEQFPZPL-XDHOZWIPSA-N 434.536 5.492 10 40 IKCB O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N\c3ccc(O)c4ccccc34)cc2)cc1 104389432 PSQAMBOKSPAGRZ-RIIXPHEHSA-N 432.461 6.623 10 40 IKCB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219386205 AUSJPTLROJFJQW-FDDCHVKYSA-N 431.045 6.324 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)c1C 223051986 VPFRECQFFDFVDQ-JWQCQUIFSA-N 448.636 5.061 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccn1 224392196 NFUUQZXLZJMQBZ-RPWUZVMVSA-N 443.551 5.200 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 409247642 FAZLEQQCQGCCKR-IMRQLAEWSA-N 447.538 5.854 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409342707 HBLNULVGKHOPQX-FYJGNVAPSA-N 440.952 5.168 10 40 IKCB Cc1cc(C(=O)COC(=O)/C=C/c2cccs2)c(C)n1-c1ccc(OC(F)F)cc1 2660843 JKMPYXSWSYTUSL-MDZDMXLPSA-N 431.460 5.196 10 40 IKCB CCCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3cccc(C)c3C)n2)SC1=S 12870187 IPIGEQOBDJULQD-WOJGMQOQSA-N 445.635 5.446 10 40 IKCB CCc1ccc(N2C[C@@](O)(c3ccc(Oc4ccccc4)cc3)[N+]3=C2SCCC3)cc1 27525096 NCLAAHUHUMQPDS-AREMUKBSSA-N 431.581 5.212 10 40 IKCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 35646170 UBHSKOIJTFDGFS-ODLFYWEKSA-N 445.327 6.344 10 40 IKCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(F)c1 208694268 NNHBDFBHARINMO-WQRHYEAKSA-N 426.450 5.400 10 40 IKCB C[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCCC2)cc1 225694952 PRIGKRLXFZULOY-HXUWFJFHSA-N 447.673 6.627 10 40 IKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260784132 VBVDBWUUKPHVLF-DVKBMCPXSA-N 430.621 5.949 10 40 IKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1Cl 409174573 NTEVBSSRYWXJPH-FHAGJXEFSA-N 438.423 8.112 10 40 IKCB O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 4172093 HEQWCUKWRYJVJE-XLNZFTOWSA-N 438.499 5.592 10 40 IKCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3C)C2=O)cc1Cl 8768244 XBVPIUXXYGTZTF-XDHOZWIPSA-N 449.894 5.014 10 40 IKCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 9339658 NKCBUVWIICYVCF-SFQUDFHCSA-N 435.954 5.446 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 33459811 RLZBJRUJXXAGEX-YXBAXSDQSA-N 439.972 5.557 10 40 IKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)C1 44854963 IDJCCCMYSQLHIC-LEWJYISDSA-N 437.603 5.151 10 40 IKCB CCN(CC)c1ccc([C@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1 57305015 TWKNAOBWHJRTBP-DEOSSOPVSA-N 446.620 5.007 10 40 IKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1 224164150 PVXZIHITBWVNLF-UIOOFZCWSA-N 438.600 5.975 10 40 IKCB CCCc1nc(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)O)n[nH]1 408633526 ZJDXWNIUFLMVPA-MFOYZWKCSA-N 434.924 5.175 10 40 IKCB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1 408755710 MKPYOMYXFWAQML-CIAFOILYSA-N 441.745 6.790 10 40 IKCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc2ccccc12 409229906 AUVSPGWUHWGBTG-HZHRSRAPSA-N 441.918 5.998 10 40 IKCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1 980754 OHVOFPPEONIYGM-XSFVSMFZSA-N 448.569 5.386 10 40 IKCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccn1)N1CCCC1)c(O)c1ccccc12 1448563 BSATVFADDRSLKD-HSZRJFAPSA-N 430.504 5.357 10 40 IKCB CC1(C)OC(=O)C(=CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@H]42)C(=O)O1 2098089 LZMZQJJMHUSGTQ-HSZRJFAPSA-N 448.563 5.102 10 40 IKCB biogenic COc1ccc(N2CCN(C(=S)c3cccc(OCc4ccc(C)cc4)c3)CC2)cc1 9188020 RPLRWWITXHLJKW-UHFFFAOYSA-N 432.589 5.080 10 40 IKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1Cl 9311236 GQIQZCPWNPTBGB-NBVRZTHBSA-N 436.736 6.574 10 40 IKCB Cc1ccc(Nc2cc(N3C[C@H](C)O[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 13809901 JMDBTMFUASRSSI-CALCHBBNSA-N 439.515 5.705 10 40 IKCB C/C(Nc1ccc(C)c(C)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17102617 XPRMAJBREYWWDU-NKFKGCMQSA-N 438.556 6.050 10 40 IKCB COc1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)cc1COc1ccc(F)cc1F 33514777 QHRPXWNMIIQTKS-DJKKODMXSA-N 435.517 5.162 10 40 IKCB Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C 34688841 FXWYVWZXQBALBL-NKFJNAIASA-N 445.592 5.602 10 40 IKCB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 36080623 QYAKTPFKKUUNKH-UMFSSWHCSA-N 428.488 6.009 10 40 IKCB COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 58928574 DOTAMTQZBJGERC-UMFSSWHCSA-N 447.962 6.763 10 40 IKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1F 225014965 JZYUENJIAFUBIK-RPWUZVMVSA-N 434.584 5.543 10 40 IKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 408939167 LUCOIDDUIMQKHI-OVVQPSECSA-N 446.506 5.861 10 40 IKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408986007 OKWJVHKFOISPIY-RELWKKBWSA-N 428.963 6.658 10 40 IKCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 409333759 VPCCQAPWIQSXKZ-HMAPJEAMSA-N 435.570 5.649 10 40 IKCB Cc1cc(C(=O)[C@H](C)Sc2nnc3ccccn23)c(C)n1-c1ccc(OC(F)F)cc1 2644346 NRCKNAAPFMXULJ-HNNXBMFYSA-N 442.491 5.102 10 40 IKCB CCOc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 3338475 WVVAPKFVLDEHTN-UHFFFAOYSA-N 443.446 5.134 10 40 IKCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 8821845 WNNYYIVPBLGUAS-PXLXIMEGSA-N 447.516 6.280 10 40 IKCB O=C(C(=O)c1ccc2c(c1)-c1cc(C(=O)C(=O)c3ccccc3)ccc1C2=O)c1ccccc1 18192190 ZYNXBLADBLRQDT-UHFFFAOYSA-N 444.442 5.029 10 40 IKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 260775035 OVKVSWIAFFBOTG-FCHUYYIVSA-N 441.044 5.749 10 40 IKCB CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S 409133566 MHADKZVQDZQVMJ-HMAPJEAMSA-N 436.602 5.578 10 40 IKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OC 409339543 VWGCNDXYSABYOC-VCHYOVAHSA-N 435.954 5.162 10 40 IKCB CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc(Cl)c1O 8456866 KQQQWAGPPDBVJD-OVCLIPMQSA-N 435.705 5.013 10 40 IKCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 9188810 JCRKXYQKQMHUJL-QJOMJCCJSA-N 445.609 7.182 10 40 IKCB O=C(O)C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 11565596 AXEATYUDDIPAIG-CRNMQVKPSA-N 438.357 5.411 10 40 IKCB CC1=NN(c2nc(-c3ccc4ccccc4c3)cs2)C(=O)/C1=C\c1ccc(N(C)C)cc1 12275554 FZSPIAPPCUFNAR-UCQKPKSFSA-N 438.556 5.835 10 40 IKCB Fc1ccccc1NC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 34689038 OFTZYICPDAQCPD-UHFFFAOYSA-N 448.526 7.037 10 40 IKCB O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 34864634 JGBAPPZSQIHYCH-STZFKDTASA-N 448.525 5.580 10 40 IKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c1C 222695932 LVNZTOWCSSOPBQ-DCEDVJGZSA-N 430.621 6.031 10 40 IKCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 408709198 YMOLSHMZZOZZGH-KRWDZBQOSA-N 441.453 5.105 10 40 IKCB COC(=O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 409156020 KAJQTLBBVMPYOH-PLXFJCCSSA-N 427.569 6.592 10 40 IKCB CCCn1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 409332903 SSFKQMFAUJSSNL-VXLYETTFSA-N 447.412 6.764 10 40 IKCB O=C(COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1)Nc1ccc(Cl)cc1 3641624 FPWJHIDESUPDTC-UHFFFAOYSA-N 429.907 6.047 10 40 IKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 8821253 BJQYLJJSQWYUQD-STZFKDTASA-N 427.591 5.897 10 40 IKCB CC(C)(C)c1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O 9189197 WZFVPEUJSOMFKR-RGEXLXHISA-N 431.667 6.521 10 40 IKCB COc1cc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]23)cc(OC)c1OC 12418802 MUDMZZZWAQDKBZ-UYSIFFEZSA-N 440.754 6.499 10 40 IKCB CCCCCCC1N(Cc2cccc(OC)c2O)CCCN1Cc1cccc(OC)c1O 19325980 MMABJZRWKBQTIS-UHFFFAOYSA-N 442.600 5.119 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 35039447 FLSFKGFGYOYHFX-LFVJCYFKSA-N 445.609 6.542 10 40 IKCB CC1CCN(c2ccc([C@H](C)NC(=O)CCCSc3ccc(Cl)cc3)cc2)CC1 222694907 KCJUXTFAONKIJO-IBGZPJMESA-N 431.045 6.326 10 40 IKCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1 225020886 HACFNBAKMAHAKG-ZEQRLZLVSA-N 431.609 5.108 10 40 IKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 408774464 LNFFMXSTUVEERS-RISWYLRJSA-N 431.605 5.873 10 40 IKCB Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 409013877 OBWACIDOQXZYEB-JAIQZWGSSA-N 426.303 5.498 10 40 IKCB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)C(c2ccccc2)=NN1c1ccccc1 409084762 XNMLNZYXKJGJIM-NHFJDJAPSA-N 430.507 6.100 10 40 IKCB Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(F)cc1 939378 YRCVLRLYCMUXKV-UHFFFAOYSA-N 436.537 5.466 10 40 IKCB Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c(C)c1Cc1cccc(F)c1 1394465 AWBNBKRJGRQXRB-UHFFFAOYSA-N 430.552 6.212 10 40 IKCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc2ccccc12 8617882 CWJAURMBDVJPGM-UHFFFAOYSA-N 447.560 5.089 10 40 IKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1 9311296 HHEPFLXRIFTODM-OQKWZONESA-N 448.478 6.635 10 40 IKCB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc4ccccc4c3)C(=O)N=C2S1 41082826 CGWIVUASYVEULF-JRCZNVDKSA-N 427.533 5.440 10 40 IKCB Cc1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)s1 59860479 UZKKVSSWTYHUIS-SSDVNMTOSA-N 446.572 6.031 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 408903873 ARDGHXITMNUGOU-BUVRLJJBSA-N 435.483 5.194 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c1 409245845 ZUANDDNRQYMKDD-KGENOOAVSA-N 435.593 5.058 10 40 IKCB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1 2252886 VNEQDHUDSJGPSY-UYRXBGFRSA-N 437.615 5.530 10 40 IKCB CCCn1cc(/C=C2/C(=O)N(c3cccc4ccccc34)C(=S)N=C2O)c2ccccc21 2371722 SLENRYJZSYYXKC-RCCKNPSSSA-N 439.540 5.876 10 40 IKCB COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](C)CC3=O)cc1OC 2512801 CZMSCMQQQCPIFB-CQSZACIVSA-N 440.337 5.689 10 40 IKCB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NC1CCCC1 8820174 JYTNCULDPWIIKT-JXAWBTAJSA-N 437.030 5.160 10 40 IKCB CCc1ccccc1N1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S 8821306 SEHSZAIQQVFUPR-JLPGSUDCSA-N 445.609 6.542 10 40 IKCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1 8821425 XUEDVJWQBLOINV-UDWIEESQSA-N 425.962 6.623 10 40 IKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 13773684 ZRLMEWFVYCBWQS-RGEXLXHISA-N 445.009 5.523 10 40 IKCB Cc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)c([N+](=O)[O-])c1 17302826 SMALRPZTMLNUDX-CYYJNZCTSA-N 426.432 6.430 10 40 IKCB Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc1 19793085 GSIMDTOMEUREDL-OAHLLOKOSA-N 447.453 5.850 10 40 IKCB COc1ccc2c(c1)CCCN2Cc1c(O)c(C(=O)Oc2ccccc2)cc2ccccc12 89466935 XVRQILKIJAGQQS-UHFFFAOYSA-N 439.511 5.726 10 40 IKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 101077975 FEAAUPDJOGRYSS-HZHRSRAPSA-N 447.332 5.834 10 40 IKCB O=S(=O)(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1 224137810 CCJPVLRIVOTOBT-UHFFFAOYSA-N 429.748 5.027 10 40 IKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21 260917918 JWLZFVIWOXUKMZ-RPWUZVMVSA-N 432.637 5.628 10 40 IKCB CCCC[C@@H](CC)Cc1ccc(C(=O)C(=O)c2ccc(C[C@H](CC)CCCC)s2)s1 1776011066 WETRHJIPQQMKKF-WOJBJXKFSA-N 446.722 8.393 10 40 IKCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)o1 15938688 NDCRXQRZHWQJIZ-UNOMPAQXSA-N 437.839 5.323 10 40 IKCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 20529120 HNBMBZWCRHWJQY-UHFFFAOYSA-N 447.318 5.351 10 40 IKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(Cl)c4)c3C)N21 260781069 SKTZDCCDOILRJT-YSZBQJHXSA-N 437.012 6.122 10 40 IKCB O=C1/C(=C\c2ccco2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 408763576 IWKULVUTEPYBKK-LDADJPATSA-N 427.685 5.530 10 40 IKCB O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc2c(c1)OCO2 409327478 KACFAJHCRLSBIK-WSDLNYQXSA-N 447.537 5.400 10 40 IKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409328988 BRWWUWHYCOQGEG-ODLFYWEKSA-N 449.428 6.308 10 40 IKCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCCC1 2308971 RZDATXKYECMMJE-MOSHPQCFSA-N 441.984 5.095 10 40 IKCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 8763595 KSPKLJYLKOLVHW-ZROIWOOFSA-N 442.345 5.319 10 40 IKCB Cc1cc(C(=O)Cn2c([C@H](C)O)nc3ccccc32)c(C)n1-c1ccc(F)c(Cl)c1 12535008 RHUUXYNHASZUQW-HNNXBMFYSA-N 425.891 5.173 10 40 IKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3OC(F)F)SC2=S)cc1 12619856 KNBOSRBWPZSCTP-OVCLIPMQSA-N 443.443 5.604 10 40 IKCB CCOc1ccccc1N1C[C@](O)(c2ccc(Oc3ccccc3)cc2)[N+]2=C1SCCC2 27525091 JCJLKQHJCBFSIB-SANMLTNESA-N 447.580 5.048 10 40 IKCB CCCCc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 35040708 ZMKLHMTZFUJXEE-XSFVSMFZSA-N 443.590 5.461 10 40 IKCB Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(C(C)C)cc3)C2=O)ccc1Br 59859521 KDWOGEDDCHXVTR-GZTJUZNOSA-N 427.298 5.388 10 40 IKCB COc1ccc(-n2c(C)c3c(O)c(/N=N/c4ccccc4OC)ccc(=O)c3c2C)cc1 98086993 GOEIJIASPFVUOP-CYYJNZCTSA-N 429.476 5.746 10 40 IKCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O 208305525 YCXWMISKLUHFBN-WNSCPLKPSA-N 445.563 5.028 10 40 IKCB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(C)c1Cl 218713710 DZEORQJEVMHSHC-LSTHTHJFSA-N 429.004 5.838 10 40 IKCB CC(C)Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 408874785 ATHBGGBGWDGBQG-UHFFFAOYSA-N 426.472 5.057 10 40 IKCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 892086 DOQQKPHEYWZXPS-UHFFFAOYSA-N 425.863 5.490 10 40 IKCB O=c1cc(-c2ccccc2)c2ccc(OCCOc3ccc(Br)cc3)cc2o1 3286033 GYCRQSXUJLXLDG-UHFFFAOYSA-N 437.289 5.680 10 40 IKCB Cc1cccc(COc2ccc(C)cc2/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 9762814 XOBAXFRGSSWFSA-IWIPYMOSSA-N 445.609 6.597 10 40 IKCB Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C 208224760 ZUJURWSKLNRXIJ-BDQMVGTNSA-N 438.568 6.093 10 40 IKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccc4C)c3C)N21 222700871 NFAFOEULHVJDBZ-KSNOWIBYSA-N 430.621 6.085 10 40 IKCB Cn1c2ccccc2c2ccc(CC(=O)N(CCC(=O)O)CCc3cccc(Cl)c3)cc21 257276249 NSZHWKGLHZSYEQ-UHFFFAOYSA-N 448.950 5.073 10 40 IKCB CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1cccc(C)c1 408741132 GWGXYNQXGLHGPU-HZHRSRAPSA-N 442.511 5.963 10 40 IKCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408998017 PXDHIHPTHISEPJ-MTJSOVHGSA-N 438.549 5.301 10 40 IKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3OCC)SC2=S)cc1 2253496 LNLPXBNZMSBJPH-MOSHPQCFSA-N 429.563 5.289 10 40 IKCB CO[C@@H]1O[C@@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1N=[N+]=[N-] 5882366 NBKQFQWEPBVLEY-VNTMZGSJSA-N 438.311 5.146 10 40 IKCB COc1ccc2nc3cc(Cl)ccc3c(NC[C@@H](CCN(C)C)c3ccccc3)c2c1 8614616 HRBFTCJQAARQAL-LJQANCHMSA-N 433.983 6.197 10 40 IKCB COc1cccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1 8765553 CMRCATYMPLGTLG-MNDPQUGUSA-N 435.611 5.492 10 40 IKCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(Br)cc1 13566439 FBTHOIWKPYFFJK-UHFFFAOYSA-N 442.294 5.129 10 40 IKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3C)C2=O)cc1OC 408760536 AJIXBTZBNSQTRW-KGENOOAVSA-N 445.946 6.445 10 40 IKCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 409329079 CPISLSJCWHEADE-UNOMPAQXSA-N 444.534 5.397 10 40 IKCB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 409329409 FRRXGYKPKHGJKH-RIYZIHGNSA-N 433.398 6.130 10 40 IKCB COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1 2056883 WIGBZNMNNDZSQT-UHFFFAOYSA-N 437.499 5.975 10 40 IKCB 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IKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21 208221567 IXKVWHXVYVGXPD-RANIVTSPSA-N 440.996 6.299 10 40 IKCB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c1 224227653 DQDLFASGBLWHCF-LOSJGSFVSA-N 439.588 5.370 10 40 IKCB Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1Br 225664087 OIFMEIYYHMHNOD-INIZCTEOSA-N 432.431 5.795 10 40 IKCB O=C(Nc1ccc(Br)cc1)c1ccc2nc3ccc4ccccc4c3nc2c1 408720935 BNQAZCVWIDNBMY-UHFFFAOYSA-N 428.289 5.951 10 40 IKCB Cc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408818325 VDEVAWOQIBTBGB-UHFFFAOYSA-N 448.587 6.294 10 40 IKCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 408902732 QQDDBNUHDJHHDP-NLRVBDNBSA-N 426.564 5.746 10 40 IKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cc(C)cc(C)c1 408935907 FCZYFYSXINKRON-BUVRLJJBSA-N 430.935 6.342 10 40 IKCB CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2c(OCC)cccc12 409076316 AMKNFSDDLGNZHT-SMEDBKPVSA-N 443.590 5.017 10 40 IKCB Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)cc(C)c1Br 409124751 BQMICRKDFPGJHD-ZDLGFXPLSA-N 447.398 5.918 10 40 IKCB Cc1ccc(-n2c(C)cc(-c3nc4ccccc4s3)c2C)cc1I 409195186 SDJVGUWATLAVIW-UHFFFAOYSA-N 444.341 6.284 10 40 IKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)c([N+](=O)[O-])c1 409213525 UQQKHPFXGKWFNK-ODLFYWEKSA-N 440.477 5.708 10 40 IKCB CCN(CC)c1ccc(/N=N/c2cc(Cl)ccc2Cl)c(NC(=O)CCC(=O)O)c1 5159037 DKJDXDIRDMGZGH-OCOZRVBESA-N 437.327 6.058 10 40 IKCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)S1 13940594 SKDXCDDFOFEHCL-MTJSOVHGSA-N 436.920 5.179 10 40 IKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(C)c(C)c4)=NC3=O)cc2[C@H](C)CC1(C)C 208317790 QPHZODRRAPCCDE-QHSFOXILSA-N 447.648 6.806 10 40 IKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OC(C)C 208779928 ZDFBIRMIZXZBOI-LICLKQGHSA-N 429.314 5.051 10 40 IKCB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219386424 AUSJPTLROJFJQW-JPYJTQIMSA-N 431.045 6.324 10 40 IKCB Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O 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