smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N(C(=O)/C=C/c1ccccc1)S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 866402 SPMOTYMEFJPTPO-DQWOSMAASA-N 440.525 3.948 10 40 IHCB COc1ccc(NC2=NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)c(OC)c1 8821897 QLCGSQKJJDWJEB-ZDLGFXPLSA-N 430.482 3.812 10 40 IHCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1cccc(Cl)c1 13787419 QHXZPCUSIUFKAP-NJDAHSKKSA-N 436.851 3.802 10 40 IHCB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccc(N(C)CCO)cc3)cc2n1 19116879 SBVYGKGQHWDJHD-LJQANCHMSA-N 433.478 3.822 10 40 IHCB CCOc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 35131182 HRQKQBRDQIGIPL-GDNBJRDFSA-N 431.286 3.708 10 40 IHCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1c1cccc(F)c1 51330824 ZRVPWRXGCNSVHF-LSCVHKIXSA-N 440.477 3.844 10 40 IHCB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 208640730 ZXQUKMPRYBBJPB-PDGQHHTCSA-N 427.507 3.837 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=S)Nc2cccc3ccccc23)C1=O 408527190 CYPAZWUWBYUNGJ-NBVRZTHBSA-N 444.516 3.856 10 40 IHCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c1C 409108967 YZHNIQZXRFLVLR-MHWRWJLKSA-N 430.302 3.862 10 40 IHCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NC1CCCCC1 8685241 PQIZKQCTXQZIIL-UHFFFAOYSA-N 425.868 3.721 10 40 IHCB aggregator CC(C)[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 13575135 RPTNBMHDRBUCBY-STIKNRRDSA-N 440.590 3.977 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 15539659 YXWIWACPZXRQGR-UHFFFAOYSA-N 429.567 3.887 10 40 IHCB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 16838293 HKSKDFOKRSCBHC-JOCHJYFZSA-N 443.975 3.534 10 40 IHCB CN1CCc2cc([C@H](CNC(=O)C3(c4cccs4)CCCC3)N3CCOCC3)ccc21 38671983 RLUKMGUOHGDHHZ-QFIPXVFZSA-N 439.625 3.742 10 40 IHCB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 58060929 GQYBIYJEHBRZMK-YKSBVNFPSA-N 437.584 3.854 10 40 IHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N(C)C)cc1 223579792 MVLSYIAXLLEQAD-DHIUTWEWSA-N 435.597 3.520 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc(OC)c1O 12274934 MNNHHDLYFZPHSD-PXNMLYILSA-N 431.491 3.822 10 40 IHCB COc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1OC 16050753 GFEXZIIVHXWSOK-UHFFFAOYSA-N 437.448 3.880 10 40 IHCB CCCOC(=O)c1ccc(Oc2coc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 20358628 DFWUMTAFTOHOJA-UHFFFAOYSA-N 439.464 3.690 10 40 IHCB biogenic Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409211905 OOADPMIEQXDCEJ-KGENOOAVSA-N 436.487 3.656 10 40 IHCB Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 10113189 QSQPKVIZJOYSRX-FQEVSTJZSA-N 443.613 3.765 10 40 IHCB CCCCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733255 GFNWIYUKENMKBS-VWLOTQADSA-N 437.584 3.661 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 33545096 PCEXNTQBKQJZDF-MFOYZWKCSA-N 445.953 3.974 10 40 IHCB COc1ccc(C2=NC3(CCNCC3)N[C@H](c3cc(Br)ccc3O)C2)cc1 65298109 CIDUQCCPMLLPDO-IBGZPJMESA-N 430.346 3.767 10 40 IHCB biogenic CCOc1ccccc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 89272084 IRKPPHDKERYIDI-UHFFFAOYSA-N 429.428 3.656 10 40 IHCB COCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S 98086700 YAPOVYRCKAMBNP-UKTHLTGXSA-N 425.293 3.527 10 40 IHCB Cc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1N1CCCC1=O 260572657 NHIHUIUAAOPIFV-SFHVURJKSA-N 441.597 3.837 10 40 IHCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 408528199 DBFKZPLEUBQRCH-DHDCSXOGSA-N 434.926 3.855 10 40 IHCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408801496 UBINBFDGIPSPAS-NTEUORMPSA-N 435.661 3.778 10 40 IHCB Cc1cc(S(=O)(=O)Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)ccc1F 8870467 CYEZMRJXJIBTAM-UHFFFAOYSA-N 448.475 3.998 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)c2C)cc1 8894468 ZJMIHVHEAUGVOC-AREMUKBSSA-N 443.503 3.815 10 40 IHCB CN(C)c1ccc(-n2cccc2/C=C2/C(=O)N(c3cccc(C(=O)O)c3)C(=O)N=C2O)cc1 13838800 RVOBWZJBAZGBTD-XSFVSMFZSA-N 444.447 3.748 10 40 IHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2)N2CCc3ccccc3C2)cc1 36683807 XBDCHTBFLLZDPS-VWLOTQADSA-N 442.563 3.607 10 40 IHCB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)COC(=O)c1cccc3c1C(=O)c1ccccc1C3=O)C2 108981951 GNBYXKGSLFSTFU-ZDNGHDIGSA-N 445.515 3.950 10 40 IHCB CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)s1 924827 KYSYHCBHLNCSEZ-HNNXBMFYSA-N 429.571 3.874 10 40 IHCB CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 4106670 DCZCAAKBPNRXTP-ZHZULCJRSA-N 434.883 3.863 10 40 IHCB CCOc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)sc2c1 18067240 QFXBAYYIAXJKHF-UVTDQMKNSA-N 442.884 3.927 10 40 IHCB Cc1ccc(C(C)(C)C)c(OC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)c1 21885461 FHZIRGKYDWFHJN-UHFFFAOYSA-N 438.509 3.981 10 40 IHCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1)c1ccc(F)cc1 32506259 LDFHRTQLRCMHMX-UHFFFAOYSA-N 446.525 3.916 10 40 IHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223660150 QWFDJUQWDQQLBC-DHIUTWEWSA-N 449.580 3.728 10 40 IHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409015380 RVFGVENFMUBURO-JVVDOCDTSA-N 443.481 3.990 10 40 IHCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)c(Cl)c1 409146526 UDDDVTQDLSQRQD-DHDCSXOGSA-N 432.910 3.893 10 40 IHCB CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2CC(=O)OC)cc1 17102052 GDABXEUVEVTYRC-STZFKDTASA-N 438.440 3.645 10 40 IHCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 9135518 PUJGMNOSYXSTTA-XMMPIXPASA-N 434.584 3.578 10 40 IHCB CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1 20100254 QKQHAQZFVPLHSW-CQSZACIVSA-N 428.739 3.712 10 40 IHCB CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 20528412 DGTULVKDOQRJCP-ONNFQVAWSA-N 439.468 3.649 10 40 IHCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409002862 WYRZYNCXWRGNDG-UHFFFAOYSA-N 449.507 3.727 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c(C)c1 408692780 VEAZXLOSXWUCGQ-DEDYPNTBSA-N 449.507 3.594 10 40 IHCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409001719 QWFOSKOXXAYFPC-UHFFFAOYSA-N 449.507 3.727 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 9135764 JISPFQHJWLFDOG-DEOSSOPVSA-N 434.584 3.578 10 40 IHCB O=C(C1CCN(Cc2cc(Cl)ccc2O)CC1)N1CCN(Cc2ccccc2)CC1 819224 OPKYLRNAMYLNOA-UHFFFAOYSA-N 427.976 3.602 10 40 IHCB COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCCc1ccccc1 1281949 KZEKNXVPDCACAT-RMENWYJGSA-N 443.546 3.991 10 40 IHCB CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 8951893 RNBSBUZWNWGNJK-GDNBJRDFSA-N 434.370 3.926 10 40 IHCB COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(N)=O 9188669 VLSPEQQHSFSTQN-NCUBORBFSA-N 428.535 3.522 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)ccc1O[C@H](C)C(=O)O 15013104 LASXPKWCGXMZJI-KWZJRMENSA-N 438.436 3.671 10 40 IHCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 13073866 MEQJNPCRLRYMKG-KWZJRMENSA-N 431.491 3.774 10 40 IHCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCCC(=O)N1CCCC[C@H]1CCO 13575619 SETBPHNQWVZDRQ-SKQHNDAPSA-N 436.574 3.571 10 40 IHCB O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc2nsnc12 19080177 XRPRVXAVRAORHZ-UHFFFAOYSA-N 425.417 3.697 10 40 IHCB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409200584 IJWNXSSPPUGSBB-BOPFTXTBSA-N 428.466 3.550 10 40 IHCB CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870191 KFEVACHFYBAXMP-ICTKWWEQSA-N 432.567 3.594 10 40 IHCB COc1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)c(OC)c1 9189276 GFWFAWGMVSZSFT-MOSHPQCFSA-N 427.501 3.635 10 40 IHCB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 10188434 MUXLYIIHUGHJMV-VWLOTQADSA-N 442.563 3.920 10 40 IHCB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 13675787 SXPXQFLKQNRWCE-UHFFFAOYSA-N 449.576 3.799 10 40 IHCB O=C(O)COc1ccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)cc1 16906618 JHOYMELIAJHYAF-OQLLNIDSSA-N 433.283 3.995 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 18150515 WAPKUVRYOTZJBX-UHFFFAOYSA-N 441.531 3.864 10 40 IHCB COc1ccc(N2CCN(C(=O)c3cn[nH]c3-c3cccc(Br)c3)CC2)cc1 72328691 KLIICTJEQDWMDS-UHFFFAOYSA-N 441.329 3.810 10 40 IHCB CCc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c(Br)c1 218865252 FBIMGAQSNIXPJT-UHFFFAOYSA-N 433.346 3.543 10 40 IHCB CCCCc1ccc(NC2=NC(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)S2)cc1 8821917 MAYDXDMHHLDUAN-VXPUYCOJSA-N 435.505 3.913 10 40 IHCB CN(Cc1cc(N(C)C)nc(C2CCNCC2)n1)Cc1ccc(N2CCCCC2)cc1F 19710129 BWSHXGWGOXOXHL-UHFFFAOYSA-N 440.611 3.771 10 40 IHCB CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 219082558 LWKBCWIBWGUSSE-JOCHJYFZSA-N 429.586 3.538 10 40 IHCB CC(=O)Nc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 408902870 MPLDKBWQETXZGO-XKZIYDEJSA-N 428.517 3.823 10 40 IHCB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)nc2n1 3495786 OQWXALINPIDLEJ-UHFFFAOYSA-N 435.509 3.852 10 40 IHCB O=C(CSCC(=O)Nc1ccccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9508002 KBJHBNOQEWAXPJ-UHFFFAOYSA-N 448.475 3.912 10 40 IHCB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13008044 UDGZIUJNDDJEML-XMMPIXPASA-N 434.584 3.523 10 40 IHCB CCOc1cccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(C)=C2C(=O)OC)c1O 14414356 RRTPZWOFNDGKLE-HKWRFOASSA-N 437.492 3.715 10 40 IHCB CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 15134383 HXMURLZIGUKREA-UHFFFAOYSA-N 435.977 3.511 10 40 IHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cccc(C)c4)ncn3)CC2)cc1 49006782 VYOCSMWCJJGBAS-UHFFFAOYSA-N 449.580 3.851 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408586205 LVYXTICNIZMQGP-ATVHPVEESA-N 427.428 3.729 10 40 IHCB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C(=O)N1 408804970 HXBBPLYBTZTEJN-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18033587 SIFVCQCQAKWGQN-VJBWXMMDSA-N 431.467 3.943 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C[C@H]1CCCO1 409199059 NMUWFIJAOXMKFK-HDAJJNEKSA-N 441.915 3.599 10 40 IHCB O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1Cc1ccco1 9130955 AYGDLQYWDIKNCV-JOCHJYFZSA-N 434.452 3.791 10 40 IHCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)c(OC)c3)=NN12 10214240 XZTSNZKBODVVAF-LJQANCHMSA-N 437.496 3.893 10 40 IHCB CCn1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1C 15013515 SMRJFMKBRCQYDX-YBEGLDIGSA-N 432.343 3.719 10 40 IHCB O=C1N=C(O)/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 16399895 RYTXVGMVQZQKPF-SDQBBNPISA-N 432.186 3.570 10 40 IHCB C[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(N2CCCC2)cc1 224392161 MABMXZINFLTHLP-GOSISDBHSA-N 427.570 3.708 10 40 IHCB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)c(C)n1-c1ccc(F)cc1 15811974 BLZYWNLWKSJSNG-CYBMUJFWSA-N 429.473 3.578 10 40 IHCB O=C(c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCc2ccccc21 17192393 GWAIYYPWRAMFPT-FQEVSTJZSA-N 440.503 3.521 10 40 IHCB O=C1[C@@H]2[C@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1 18103096 YBJZLDUSZIIPTM-UFYCRDLUSA-N 449.890 3.773 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccccc1C(=O)O 27530581 KKZNINQBAWNHQZ-LFIBNONCSA-N 430.482 3.754 10 40 IHCB C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CC[C@H]2CCCN2C1 104076466 LDMIVIYBJXARTK-MLDYKZIASA-N 435.475 3.963 10 40 IHCB O=C1NC(=O)C(=Cc2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)C(=O)N1 408757861 DLPVHFZYFKKYSI-UHFFFAOYSA-N 436.423 3.962 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 408991151 ZHXIEJWENBMWIM-UYRXBGFRSA-N 430.416 3.874 10 40 IHCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1 2398399 BYLJZVJGRYEKJK-RCCKNPSSSA-N 446.532 3.850 10 40 IHCB Cc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 12729361 PTTGSEJASWLRKT-SXGWCWSVSA-N 431.495 3.678 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)NCCc1ccc(O)cc1 13575092 FUFPYWNQPMMGDD-RGEXLXHISA-N 444.553 3.872 10 40 IHCB COc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 27530601 LSJNGRSGXAOJNQ-WOJGMQOQSA-N 444.534 3.552 10 40 IHCB CC(C)[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccco2)SC1=S 33539364 FXIMEMWEGNVUPI-TYWAAFNRSA-N 446.506 3.548 10 40 IHCB Cc1cc(C(=O)N2CCC[C@H]2c2nncn2C)c(C)n1-c1cccc(Br)c1 95453608 BNICRWWCAKTNBD-SFHVURJKSA-N 428.334 3.962 10 40 IHCB Cc1ccccc1OCCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 666857 MSSROHZXQKPEPN-UHFFFAOYSA-N 433.533 3.627 10 40 IHCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 20036808 RUSSKOOTPUGQFB-ZROIWOOFSA-N 426.274 3.646 10 40 IHCB C[C@@H]1CN(C2=NC(=O)/C(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)S2)C[C@@H](C)O1 27026652 DAONFJIDIBOAHM-ZEVGMECHSA-N 433.533 3.683 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OS(C)(=O)=O 33441390 XVYRKOLPVAURJT-SXGWCWSVSA-N 439.511 3.579 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccc(Oc2nc(Cl)ncc2F)c1 409066610 WIGNDVPIEMFSQC-XNTDXEJSSA-N 438.802 3.728 10 40 IHCB O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1c(Cl)ccc2nsnc12 59294430 ZLVRDQTVAGIMOZ-QHHAFSJGSA-N 445.888 3.741 10 40 IHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 59534698 XIVFOQXHOHFRRE-DHDCSXOGSA-N 441.783 3.763 10 40 IHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1 104091043 SDZSHIYIHKWCSG-SIUCFOQUSA-N 440.510 3.819 10 40 IHCB Cc1nc2cc([C@H]3CCCN3Cc3ccccc3O)nn2c(C)c1CCC(=O)NC1CC1 257279003 OENYVGVJYQODIH-JOCHJYFZSA-N 433.556 3.600 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1C 409243295 ZXYCHZQHCQAUNT-OQLLNIDSSA-N 430.913 3.805 10 40 IHCB CN1C(=O)/C(=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2408940 NRAIQHGKEWGLNT-UVTDQMKNSA-N 429.910 3.971 10 40 IHCB COc1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1OC 3639137 GHKALURKRRIRAU-ZHZULCJRSA-N 427.501 3.635 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1C 9165220 BJWGKEUZBBINPA-RUZDIDTESA-N 448.611 3.968 10 40 IHCB CCOC(=O)C1=C(COCCN=[N+]=[N-])NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl 19228818 ORRUHLWSVNVRGO-KRWDZBQOSA-N 434.880 3.618 10 40 IHCB in-vitro CN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Br)coc23)CC1 20392562 LKCQMPARHYYBQV-UHFFFAOYSA-N 445.313 3.801 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)CC1 260760982 DDTKNOFOBALNFZ-CVDCTZTESA-N 443.613 3.733 10 40 IHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1Cc1ccccc1F 408868457 MQJSBXUCNXMUAS-DEDYPNTBSA-N 445.406 3.991 10 40 IHCB O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 409146863 UEQUJDORSNYRBL-UNOMPAQXSA-N 443.456 3.807 10 40 IHCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)cc2)cc1 8821340 QRZGVHKXTXDEBQ-PDGQHHTCSA-N 449.575 3.663 10 40 IHCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 100323917 CEOFLJUWINRSDL-HKBOAZHASA-N 429.472 3.510 10 40 IHCB CC1=NC(=S)N(NC(=S)Nc2ccccc2)C(=O)[C@H]1N=Nc1ccc([N+](=O)[O-])cc1 245239010 DMDXKVWVNFTMHX-HNNXBMFYSA-N 441.498 3.537 10 40 IHCB CC(C)[C@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2cccs2)SC1=S 9348276 ZAYGZKPTQRIXQK-XPXRORMKSA-N 438.640 3.737 10 40 IHCB CCCCCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 13799674 YXXCNNOVFOFECN-UHVIJJLKSA-N 425.597 3.644 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OC)c1OC 409057480 GQPJXYFYKBTOSB-ATVHPVEESA-N 439.464 3.598 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 22335674 ZMZFNMQPGOABGP-GOSISDBHSA-N 447.576 3.705 10 40 IHCB O=C(Cn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21)NC1CC1 59087199 PPDPGDYCGYTGRK-XDHOZWIPSA-N 434.496 3.555 10 40 IHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 96295543 SIFVCQCQAKWGQN-VABKMULXSA-N 431.467 3.943 10 40 IHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC)ccc4ccccc34)C2=O)cc1 408817328 SYSTUSYKSFWQRN-XSFVSMFZSA-N 444.443 3.692 10 40 IHCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(Br)cc(Cl)c1O 408913099 KPUFEAMJUUSSRC-XGICHPGQSA-N 439.624 3.614 10 40 IHCB Cc1ccc(C)c(OCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c1 2395880 XUZIMSWOTAWIGK-UHFFFAOYSA-N 431.492 3.771 10 40 IHCB CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(c2ccc(OC)cc2)CC1 13504181 UJHWHSBSCGFCGJ-QFIPXVFZSA-N 438.551 3.878 10 40 IHCB CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)SC1=S 409338431 JSTAQSCYZDKOKH-NTEUORMPSA-N 429.947 3.902 10 40 IHCB COc1ccc2c3c(n(Nc4ccc(C(=O)O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 604406007 XMYBWPCATJKWEJ-UHFFFAOYSA-N 442.427 3.804 10 40 IHCB biogenic O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NCCc1ccccc1 9703739 VSJJYCSDOQTXDY-UHFFFAOYSA-N 447.874 3.631 10 40 IHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(F)cc(Br)cc2[nH]1 58392116 ZQCSWOJYEAAADC-UHFFFAOYSA-N 432.293 3.836 10 40 IHCB COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4cccc5cccc3c45)CC2)cc1 219458193 NTQJSCQPGSKNGU-UHFFFAOYSA-N 429.520 3.938 10 40 IHCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O 408900071 RHTYQMSKWGVYJU-OQLLNIDSSA-N 445.269 3.528 10 40 IHCB COCCN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)C[C@@H]1CCCN2CCCC[C@H]12 524731628 FJEZVXIIWNTRHV-FDDCHVKYSA-N 440.584 3.700 10 40 IHCB biogenic CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)O2)cc1 2807226 XTIBDXXTXMCLGQ-GZTJUZNOSA-N 428.286 3.818 10 40 IHCB CCn1cc(/C=C2\C(=O)NC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 9459759 VKCZNIWYERQBEG-GZTJUZNOSA-N 435.505 3.510 10 40 IHCB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 9597056 WBBQUWWKCSGTDE-SDNWHVSQSA-N 441.439 3.666 10 40 IHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2)N2CCc3ccccc32)cc1 10188432 MUYGMPFNZMDSDB-XMMPIXPASA-N 428.536 3.611 10 40 IHCB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN5CCOCC5)c4)OCC[C@@]31C2 257327627 XCCVSQDXVWUFRG-FKDXMPTGSA-N 442.600 3.633 10 40 IHCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)o1 408962479 YMWDSNMHRNKOJU-LDADJPATSA-N 432.457 3.785 10 40 IHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3)C2=O)cc1OCC 409188516 CNSDHASZWFFBFF-CPNJWEJPSA-N 438.480 3.545 10 40 IHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 409220639 CODRHBARRQKTHD-NTEUORMPSA-N 430.913 3.887 10 40 IHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 409240461 PVOUGJCIUKHTMI-NDENLUEZSA-N 428.485 3.907 10 40 IHCB COc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260769329 LOGGNXOYPXWLDM-KBJGYGKASA-N 440.569 3.525 10 40 IHCB CC(=O)Oc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 408918263 IGZFKWQUYZIWKC-XKZIYDEJSA-N 429.501 3.790 10 40 IHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1 8819563 HAWOCNZZNBEHKI-LGMDPLHJSA-N 432.567 3.513 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc(OC)c1OC 27530311 BRTIAQPQSCITFY-LICLKQGHSA-N 445.518 3.745 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 32180940 KRHLWXCOXRGGLK-WJDWOHSUSA-N 436.807 3.965 10 40 IHCB Cc1cc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(C)n1-c1ccccc1F 32906451 QRCBGRDDYHCGER-UHFFFAOYSA-N 435.499 3.636 10 40 IHCB COc1ccc(N2CCN(C(=O)COc3cc(C)ccc3C(C)C)CC2)c([N+](=O)[O-])c1 33597467 LWCJMZYZKCNNIB-UHFFFAOYSA-N 427.501 3.763 10 40 IHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OC(=O)c1ccccc1 408536135 PWFBNXJFMCJGAL-VKAVYKQESA-N 430.391 3.711 10 40 IHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)SC1=S 409209734 IDWHMJKPMYEJKX-ZDLGFXPLSA-N 447.509 3.788 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 8819109 LEBKVIOMBCGPBL-BOPFTXTBSA-N 442.518 3.623 10 40 IHCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9138101 KTPOWKPZOAPECZ-XMMPIXPASA-N 434.584 3.659 10 40 IHCB CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504109 BZDDTNHONUOYLI-QFIPXVFZSA-N 438.551 3.878 10 40 IHCB CCOC(=O)[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)cc4)coc23)C1 41586624 FROVUJTXBRFPKZ-KRWDZBQOSA-N 437.492 3.949 10 40 IHCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1O 96576994 BJXUEWCSJJEXNJ-SDQBBNPISA-N 449.335 3.863 10 40 IHCB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 9764065 DLRZLVYGUABPCZ-GOSISDBHSA-N 429.318 3.782 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 101480053 LYWNPVXGAPZUCK-CIAFKFPVSA-N 436.895 3.636 10 40 IHCB CCN1C(=O)/C(=C/c2cn(CC(=O)OC)c3ccc(Br)cc23)SC1=S 409124528 AUKZUCDWDINLBM-NSIKDUERSA-N 439.356 3.798 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409239345 MXVAFGRNMHADBB-GXDHUFHOSA-N 431.311 3.597 10 40 IHCB COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCCc1ccccc1 1281947 KZEKNXVPDCACAT-QIQQCEGHSA-N 443.546 3.991 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 9135766 JISPFQHJWLFDOG-XMMPIXPASA-N 434.584 3.578 10 40 IHCB O=C1C[C@H](N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccccc1 9252868 GZWFLTWADOSEAQ-PGLQMZEQSA-N 433.514 3.701 10 40 IHCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 9630580 JDKQJECQGOSREP-CYYJNZCTSA-N 449.467 3.944 10 40 IHCB COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 41078517 PSCCHQHZZMDXIG-GKJKXNJGSA-N 449.463 3.612 10 40 IHCB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)C(=O)N(c2ccc(Cl)cc2)C1=S 211020537 KQMZNVVELVKGNF-SFQUDFHCSA-N 430.913 3.921 10 40 IHCB C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)cc2)C1 260565606 QJJACAQZWBFYAM-IBGZPJMESA-N 441.597 3.783 10 40 IHCB CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 9086452 HEYIOOMUAFRRJU-HMMYKYKNSA-N 438.509 3.786 10 40 IHCB COc1cccc(OCCn2cccc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 9425557 NHHLTINABFGWPJ-BIWIXZEJSA-N 437.525 3.851 10 40 IHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 11582496 PFRSABFPMWBXNL-HJOGWXRNSA-N 427.504 3.799 10 40 IHCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1C 13008082 HPIRAEQFPWGXMP-DEOSSOPVSA-N 434.584 3.578 10 40 IHCB Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 13669325 YPBBRZBMNQNDNU-HXUWFJFHSA-N 443.613 3.765 10 40 IHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1 1266427 XCWPISJQOJOVBF-VIBAAIGISA-N 449.601 3.793 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(F)cc1 8872527 MJCSPYYTLQVYPW-UYRXBGFRSA-N 425.456 3.758 10 40 IHCB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccc(N2CCOCC2)cc1 9118704 LZZINVFPYVFCOJ-UHFFFAOYSA-N 436.600 3.974 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccc(C)cc3)c3sc4ncnn4c3O)CC2)cc1 22609311 ZBKCCFZKCRJEDD-FQEVSTJZSA-N 435.553 3.725 10 40 IHCB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)SC1=S 108976954 ZIBRXHLHIOTJCD-YVLHZVERSA-N 431.491 3.953 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 206238507 DKTCTPLGKJMVKB-MHWRWJLKSA-N 434.926 3.903 10 40 IHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 408957011 ZRCMUNFOYIOQMM-VGOFMYFVSA-N 428.828 3.522 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCC)C(=O)NC2=S)cc1 409105497 IANVQQGOSFLHLU-SFQUDFHCSA-N 430.913 3.969 10 40 IHCB COc1ccc(N2CCN(C(=O)CSc3ncnc4sc(C)c(C)c34)CC2)cc1 928938 VTQZGVCAWQMWTQ-UHFFFAOYSA-N 428.583 3.758 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC 1789194 PLPRRDSMPKIQNR-IUXPMGMMSA-N 431.491 3.847 10 40 IHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1cccc2ccccc12 2222433 NIPISIWQTTWNII-HMAPJEAMSA-N 425.444 3.945 10 40 IHCB CN1C(=O)C(=Cc2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)C(=O)N(C)C1=O 8916245 JUYNDISXUJWAPO-UHFFFAOYSA-N 436.508 3.876 10 40 IHCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1Cl 27501183 KEABDKRVVAAOPB-ZSOIEALJSA-N 434.721 3.938 10 40 IHCB O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1 101488839 MUKPFLNQXJJISD-PWRODBHTSA-N 441.414 3.521 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1 409102398 ZHRTVGXDWILTSZ-CPNJWEJPSA-N 449.507 3.533 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409197060 VBHUFMGWORCZJT-UVTDQMKNSA-N 429.816 3.913 10 40 IHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)SC1=S 409211196 NDIMRAHURHQHRV-ZDLGFXPLSA-N 447.509 3.788 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)C1=O 409229439 OZHBKKJHHBWISD-XMHGGMMESA-N 430.464 3.554 10 40 IHCB O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 409327965 OKQGGGOCDGMQJK-QGOAFFKASA-N 433.555 3.965 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccccc1 8779828 FIYBXNYGFRTADK-QHCPKHFHSA-N 440.503 3.921 10 40 IHCB COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(OC)c1OC 6747943 XENKIVHDLRQVQF-HXUWFJFHSA-N 428.529 3.600 10 40 IHCB Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 9513133 CEDVEPLGLBSHMF-UHFFFAOYSA-N 449.551 3.908 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)O 16688960 GLIAUMJOXWWXOY-WQRHYEAKSA-N 429.519 3.950 10 40 IHCB COc1ccc(N2CCN(C(=O)Cn3cccc3-c3nc(-c4ccccc4)no3)CC2)cc1 98211285 VLPHOUIQWQLGMT-UHFFFAOYSA-N 443.507 3.563 10 40 IHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223695395 YIYYHSIZDCECNF-PKTZIBPZSA-N 449.580 3.728 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 8819112 CZUNGPWWZAFEMV-BOPFTXTBSA-N 443.506 3.833 10 40 IHCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 8870220 KCZCUSVYEOVJDY-DHDCSXOGSA-N 447.335 3.808 10 40 IHCB COc1ccc(N2CCN(C[C@H](O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1 33541676 KNWFGOVAOQCELR-FQEVSTJZSA-N 428.573 3.563 10 40 IHCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 408819193 WYWLEFGNOYWLMB-SFQUDFHCSA-N 442.855 3.582 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(C)c3)C(=O)NC2=S)c1 408851159 VRLHNHYXRARPGM-ZHZULCJRSA-N 435.549 3.825 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409196949 SZUMJPKGWWBBLW-GDNBJRDFSA-N 429.816 3.913 10 40 IHCB O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(c2cccc(O)c2)C1=O 2451225 DDZGUUDEFJSSAA-BUHFOSPRSA-N 433.308 3.883 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc2nonc12 9429302 UHKKVQMRGPKFIB-ZSOIEALJSA-N 430.898 3.716 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)CC1 218287670 ZSNQXHCNDNDSPY-VQTJNVASSA-N 443.613 3.955 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)C(C(=O)OC)=C2C)cc1 408895205 UGUKDDJPBXOPNT-PDGQHHTCSA-N 438.436 3.879 10 40 IHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 15056055 FNJFWZKTWADWHJ-SXGWCWSVSA-N 434.926 3.855 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 16914980 NYVBRGGEEJKEEF-WOJGMQOQSA-N 445.518 3.963 10 40 IHCB CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408811448 LHZMOZNLSHAOGP-CXUHLZMHSA-N 429.816 3.702 10 40 IHCB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409212771 RCCBYGHNFRPOQB-WQRHYEAKSA-N 442.497 3.565 10 40 IHCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C1=O)OCO2 409227563 PYJVOELFUSOTTG-RQZCQDPDSA-N 438.505 3.769 10 40 IHCB COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1 967079 OSOSHBSEWRAXLU-FHNWIRHTSA-N 429.519 3.949 10 40 IHCB CCn1c2ccccc2c2cc(N/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)N=C3C)ccc21 8993246 RJVDGUIVUNJRCZ-NNIWKIFQSA-N 436.537 3.515 10 40 IHCB COc1ccc(N2CCN([C@H](CNC(=O)c3c(F)cccc3F)c3ccco3)CC2)cc1 56946053 UYHQLQCKVLAWKR-OAQYLSRUSA-N 441.478 3.860 10 40 IHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 102031366 UMAMRECRQJXFCC-ZZCKCESHSA-N 435.542 3.791 10 40 IHCB Cc1cc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc([N+](=O)[O-])c1C 408526429 BHMPHICXXRQOPA-LDADJPATSA-N 430.420 3.944 10 40 IHCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 59138935 ZRXZNVXMCKVBBY-CPNJWEJPSA-N 430.416 3.962 10 40 IHCB Cc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956312 OXGXFJOSPUWQIG-UHFFFAOYSA-N 437.598 3.813 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)cc1 408961316 RKCIBUNWKZQILJ-XDHOZWIPSA-N 446.415 3.628 10 40 IHCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)C(=O)N1 409044695 WSYWQXFINVBPIF-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 409205341 PVYLGNNTEOKGAJ-STZFKDTASA-N 449.507 3.675 10 40 IHCB CCCCCCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OCC)C2=O)c2ccccc21 27563164 OQYPREASEAOJEP-ZCXUNETKSA-N 432.567 3.748 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 35352796 ZJLHXUPDKMMBHL-UNOMPAQXSA-N 433.395 3.774 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 36091720 VASQJKRDMQTYOT-GDNBJRDFSA-N 449.535 3.982 10 40 IHCB COc1ccc(N2CCN(C(=O)c3cnn4c(-c5ccccc5F)ccnc34)CC2)cc1 49002983 SRFFVGOYSIEUKP-UHFFFAOYSA-N 431.471 3.506 10 40 IHCB CCN(CC)c1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1Br 409069969 YWXKCFNCKIUNCE-KBVGCWLLSA-N 441.347 3.893 10 40 IHCB Cc1ccc(COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 409401316 WUIXHFPAJAOHSJ-STZFKDTASA-N 429.432 3.944 10 40 IHCB CN(C)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 9875206 GJUOHEPRYGDSGS-UHFFFAOYSA-N 443.613 3.566 10 40 IHCB Cc1cc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)n1-c1ccc2c(c1)OCO2 16278024 OYTSNAOQLHHSGI-UHFFFAOYSA-N 435.411 3.662 10 40 IHCB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1F 222659413 KUVFGJUCAAWKFM-UHFFFAOYSA-N 447.576 3.679 10 40 IHCB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(c1ccc(OC)cc1)CO3 9411145 YZXLJWKQEUNZHD-UHFFFAOYSA-N 429.856 3.835 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1 9908220 DFBWJMOUHMTVAA-XSFVSMFZSA-N 445.500 3.569 10 40 IHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)cc1 16293047 WPSNKNAAHZFBLL-PXLXIMEGSA-N 432.524 3.825 10 40 IHCB O=c1cc([C@H]2CCCN(Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2cccnc2)[nH]1 72393125 QGQSBHNRDWZORF-FQEVSTJZSA-N 433.531 3.951 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408871988 ITDXZBVDBLPGSI-BKUYFWCQSA-N 434.492 3.551 10 40 IHCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13647577 ONMFXYFMCMAAMF-WPBJZHHJSA-N 439.967 3.988 10 40 IHCB COc1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)c(F)c1 22404311 DSXZNKOQYDOHFP-LJQANCHMSA-N 438.342 3.768 10 40 IHCB CN1CCc2cc([C@H](CNC(=O)Cc3cccc4ccccc34)N3CCOCC3)ccc21 22733491 QWKRRZPOCHWYFQ-SANMLTNESA-N 429.564 3.564 10 40 IHCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1C 26509990 ZOPQVZZLBYTLLU-ZDLGFXPLSA-N 429.519 3.868 10 40 IHCB COc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 26771413 HQGKNONFPTVCHD-BRFSQIRFSA-N 429.519 3.601 10 40 IHCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(OC)c1 59104555 NTCMSZHRHOUPBN-LICLKQGHSA-N 437.452 3.777 10 40 IHCB COCCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(OC)c(OC)c1 78969913 FUMMOUHAGDRUTN-UHFFFAOYSA-N 438.528 3.598 10 40 IHCB C[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C1CC1 84636364 CACZZDVMBCJLNX-DOQDJBIESA-N 425.373 3.565 10 40 IHCB CCc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 220284757 QGIKIBQPFIQUDF-LJQANCHMSA-N 443.613 3.710 10 40 IHCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 409129991 SWZWAJFCVIBKHB-YQYFLZKSSA-N 430.551 3.585 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 1182862 HDDJFPSOQCRPJG-SFQUDFHCSA-N 426.519 3.923 10 40 IHCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2290089 RCIMVVVNOLAAOT-WFSQQTBHSA-N 439.967 3.988 10 40 IHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N(C)C)cc1 223619362 SEPVHWADLXFPTF-RPWUZVMVSA-N 449.624 3.910 10 40 IHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 408532330 UFXFFNRBZXANNP-DHDCSXOGSA-N 441.939 3.605 10 40 IHCB CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)cc(Br)c1OCC 409145917 QRMZKWZMKXPIHO-CQSZACIVSA-N 448.404 3.664 10 40 IHCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)O 409188846 GVUBIGWNNSFNFN-XNFYSYIQSA-N 449.246 3.512 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)NC2=S)c1 6573625 HIPUDYGQZZZNGL-YBEGLDIGSA-N 431.311 3.679 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)N=C2O)cc1 8968713 IYIQCGXCTNUGLB-BKUYFWCQSA-N 431.448 3.679 10 40 IHCB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c1O 18045308 TWGRPKZELCYRLM-XJUOHMSHSA-N 430.460 3.760 10 40 IHCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1 35128738 DFUMWEMSYZJEKD-STZFKDTASA-N 447.878 3.819 10 40 IHCB CNc1nc([C@H]2CCCCN2Cc2ccc3c(c2)CCCN3C)nc2c1CCN(C(C)=O)C2 72376567 DCSYYPUIAIZPOE-XMMPIXPASA-N 448.615 3.533 10 40 IHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102708052 SIFVCQCQAKWGQN-XPWALMASSA-N 431.467 3.943 10 40 IHCB Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 222882379 XXOPTVBYNQDCLI-FQEVSTJZSA-N 443.613 3.624 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)C1 260453387 NJHRQENFWSVOOE-ROUUACIJSA-N 447.576 3.705 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408692222 HPNMJXLOWSVNIO-DEDYPNTBSA-N 435.436 3.578 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S1 32111813 BUPUQQVIQGUMIV-RQZCQDPDSA-N 431.857 3.934 10 40 IHCB Cn1c(=O)c2c(-c3cccc(C(F)(F)F)c3)c3c(nc2n(C)c1=O)-c1ccccc1C3=O 32655415 YPKUPBNJIVDHLU-UHFFFAOYSA-N 437.377 3.529 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@H]1CCCO1 409195320 HOGFFYAEXLFJHK-HDAJJNEKSA-N 443.956 3.769 10 40 IHCB COc1ccc(CN2C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1 16216731 BCLIJVAABUJUND-REZTVBANSA-N 430.463 3.734 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 35264406 FIKHVWXQDCYKQF-CXDFQFJYSA-N 443.546 3.991 10 40 IHCB C[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 218342680 VQJAUUOUBLNVQF-MSOLQXFVSA-N 429.586 3.810 10 40 IHCB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951322 JKCCLDHDTAGSRH-KRWDZBQOSA-N 440.617 3.951 10 40 IHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3C)C2=O)c(C)cc1Br 408530868 MYNQNLSBWFVDHW-GXDHUFHOSA-N 428.286 3.953 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1 2323591 VJHHEAUYOJPQKE-LICLKQGHSA-N 442.518 3.629 10 40 IHCB CC1CCC(NC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)CC1 9125286 GZPTXSDIAGKUOI-UHFFFAOYSA-N 439.895 3.967 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1O 408785257 VJUIHONOYQVXGN-RIYZIHGNSA-N 445.269 3.528 10 40 IHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 409102021 ZXXKYEHTBSZHHI-XDHOZWIPSA-N 449.507 3.587 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O 409230118 BOEWJGNPKZZQDT-GHRIWEEISA-N 446.415 3.710 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 8819117 YMIUQQRJQSNOEW-NVMNQCDNSA-N 442.518 3.654 10 40 IHCB Cc1cccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 13686948 WJWPMUCYGWEVSM-QNGOZBTKSA-N 433.439 3.681 10 40 IHCB COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22418608 OBILHSGLPCEQQG-OAQYLSRUSA-N 445.995 3.525 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(C)C 409405054 GAIVHUXDIFXGLB-DHDCSXOGSA-N 431.286 3.706 10 40 IHCB CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 1176565 FDCWYHKJDZJOSN-BOPFTXTBSA-N 426.519 3.787 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cc(C(F)(F)F)ccc3=O)c2C)cc1 2651939 ONTWJBFAVQOQIT-UHFFFAOYSA-N 432.398 3.944 10 40 IHCB Cc1cc(C)n2c(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)nnc2n1 9788950 KKXDINSNEPRGHM-UHFFFAOYSA-N 449.536 3.895 10 40 IHCB COc1ccc(NC(=O)CN(C)CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 15444772 XSKHUPWHLATZQD-UHFFFAOYSA-N 449.507 3.585 10 40 IHCB CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 20121806 BKFNTAVUXJMPPG-DEOSSOPVSA-N 431.588 3.766 10 40 IHCB COc1ccc(N2CCN(C(=O)c3ccc(Cn4nc(C(F)(F)F)cc4C)o3)CC2)cc1 27935000 JDABLADPVOHMFI-UHFFFAOYSA-N 448.445 3.823 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc(OC)c1O 35040749 MNNHHDLYFZPHSD-LZYBPNLTSA-N 431.491 3.822 10 40 IHCB COC(=O)C[C@@H]1c2cccnc2Oc2cc(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc3c21 96115675 KOVAYCPGHJYPEG-CYBMUJFWSA-N 447.399 3.773 10 40 IHCB biogenic CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 220602977 GIMKOFIFNPKHOM-NRFANRHFSA-N 447.576 3.677 10 40 IHCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 409235754 QHQXZNAZUBMHEX-LICLKQGHSA-N 440.521 3.667 10 40 IHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409249599 UVBFUGYAKUSBIL-OQLLNIDSSA-N 438.783 3.570 10 40 IHCB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(O)c(O)c2)n2c1nc1ccccc12 20675988 FNLKNVSNXBQQAZ-SFTDATJTSA-N 437.496 3.753 10 40 IHCB COc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C(O)=NC1=S 32121179 ROAVLEGPJJGNBH-LGMDPLHJSA-N 447.472 3.856 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1C 408923548 JMHVPLDGWJCEED-UHFFFAOYSA-N 430.913 3.540 10 40 IHCB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 908315 HHVYVYQNZMRJDV-UHFFFAOYSA-N 444.491 3.760 10 40 IHCB CCN1/C(=C2/SC(=S)N(C)C2=O)Sc2ccc(S(=O)(=O)C(F)(F)F)cc21 100199799 SFPUOIQTKKTXJQ-BENRWUELSA-N 440.515 3.571 10 40 IHCB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 102729410 CBWLVBBBDRALLC-PTNGSMBKSA-N 432.523 3.801 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OC 409228580 ZMBCZIRYXUEYND-VGOFMYFVSA-N 446.912 3.506 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C)c3)C(=O)NC2=S)c(OC)c1 1127265 NVFLNMWZDROVTE-UYRXBGFRSA-N 447.516 3.634 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)cc1 13148152 UVYBUVXTOVILPS-BKUYFWCQSA-N 443.459 3.767 10 40 IHCB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 19818230 HEDGLHKHMYAIGR-SFTDATJTSA-N 437.496 3.609 10 40 IHCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1F 100156091 HBEGEVRYDQYKLS-PCCBWWKXSA-N 441.414 3.521 10 40 IHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 100507526 SVPLPOFICXSJLB-NTEUORMPSA-N 446.217 3.984 10 40 IHCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 225181343 SSJXGORWFKXLCQ-OAQYLSRUSA-N 435.565 3.533 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(N)=O 409216676 NUJMIYMKJVUJPB-WOJGMQOQSA-N 428.535 3.664 10 40 IHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 980930 SFPWKOFHMCKKTK-NGMPYOPUSA-N 442.493 3.811 10 40 IHCB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1 2634913 OMAGGOLISXOTBX-UHFFFAOYSA-N 439.537 3.876 10 40 IHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCCC3)C2=O)cc1 8819564 OWGHQRLJWNPQRU-JXAWBTAJSA-N 446.594 3.904 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 27530537 CTHISFFBOLAWQH-GZTJUZNOSA-N 443.506 3.833 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c(Cl)cc1OC 409019305 YQIMJHKSFPFOTD-OQLLNIDSSA-N 446.912 3.587 10 40 IHCB CCN(CC)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 6144496 WHMDNAXBUHFIIE-LQWHRVPQSA-N 435.446 3.637 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 9697907 QEFRVUMTENCCCV-UHFFFAOYSA-N 444.531 3.792 10 40 IHCB Oc1ccc(CN2CCC(O)(Cn3cnc4ccccc43)CC2)cc1CN1CCCCC1 19376686 QUVUATGROSGJTF-UHFFFAOYSA-N 434.584 3.755 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(c3cc(C)ccc3C)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38163790 WIPCFEVCPANGHO-ZSOIEALJSA-N 425.397 3.823 10 40 IHCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Br)c[nH]1 84350102 RBZRHCLAUPRTEV-UHFFFAOYSA-N 432.240 3.563 10 40 IHCB Cc1nc2cc([C@H]3CCCN3Cc3ccccc3O)nn2c(C)c1CCC(=O)N1CCCC1 257270425 MUDYRNKPEGFXRY-HSZRJFAPSA-N 447.583 3.944 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(C)=C2C(=O)OC)ccc1O 408894912 SFTNAEFSMCVZMU-ZHZULCJRSA-N 437.492 3.715 10 40 IHCB CCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C(=O)O)cc2C1=O 10060522 AQIJLPSALNQNKQ-UHFFFAOYSA-N 446.415 3.542 10 40 IHCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 16292828 YGRSVIBUWOLDRY-FKBYEOEOSA-N 437.451 3.690 10 40 IHCB biogenic CCOC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)N=C(O)N(CCC2=CCCCC2)C1=O 17057558 VMQHBHMEIVDYBP-NBVRZTHBSA-N 435.480 3.901 10 40 IHCB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 223866327 QNUKBRQRJFKAIH-OAHLLOKOSA-N 436.961 3.841 10 40 IHCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14414290 XKTYAJZSGGTNPA-UYRXBGFRSA-N 437.492 3.894 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccccc3)c3sc4nc(C)nn4c3O)CC2)cc1 23156828 QVXBVRYKIJLZPQ-HXUWFJFHSA-N 435.553 3.725 10 40 IHCB CCN1C(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N(CC)C1=S 408943691 LTSNJABBGFMMMU-UHFFFAOYSA-N 432.343 3.619 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc([N+](=O)[O-])cc1 8819246 PVEPGLNBJFWMDG-WJDWOHSUSA-N 431.470 3.964 10 40 IHCB COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC 9190114 BIUBHDHAAVGMLI-NVMNQCDNSA-N 445.518 3.843 10 40 IHCB C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N1c2cccc3cccc(c23)S1(=O)=O 10113616 IFBFLSAHJPFDTN-QGZVFWFLSA-N 435.549 3.654 10 40 IHCB COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138011 JWFRSKBBCYDHAZ-VWLOTQADSA-N 437.584 3.800 10 40 IHCB COc1ccc2cc(CN(C)C(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)ccc2c1 10056358 SSKDGMDSEACAOA-UHFFFAOYSA-N 447.579 3.775 10 40 IHCB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c1O 17918799 TWGRPKZELCYRLM-FUDKSRODSA-N 430.460 3.760 10 40 IHCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223275751 KGILIBPZUSOXDG-VXKWHMMOSA-N 434.613 3.727 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)c1 409228767 DUJLOQVBBYGQID-DEDYPNTBSA-N 446.532 3.719 10 40 IHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409390437 FLCHIUFYCRQQTG-UVTDQMKNSA-N 438.783 3.570 10 40 IHCB COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(N)=O 9188668 VLSPEQQHSFSTQN-FHNWIRHTSA-N 428.535 3.522 10 40 IHCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCC(Cc4ccccc4)CC3)c2oc1=O 95480629 OHJLFBSVGCEVNO-UHFFFAOYSA-N 435.520 3.977 10 40 IHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc2ncccc2c1 105706152 XQVIEMHRHQFVEU-UVTDQMKNSA-N 426.860 3.771 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@@H](C)C(=O)O)c2)C(=O)NC1=S 409191576 ZKYTXNCUTASVTA-RAOBZKRQSA-N 447.516 3.681 10 40 IHCB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(/N=N\c4ccc(C)cc4)cc3)C(=O)[C@@H]12 409288147 DFFXCRSDAKDQRZ-RKAUEIKVSA-N 431.448 3.787 10 40 IHCB COc1cccc(N2C(=O)/C(=C\c3cc4cc5c(cc4[nH]c3=O)OCO5)SC2=S)c1 9419695 IWURSGWQTACBQJ-CNHKJKLMSA-N 438.486 3.671 10 40 IHCB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 58060933 GQYBIYJEHBRZMK-HYBUGGRVSA-N 437.584 3.854 10 40 IHCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)c1 408799943 JPGMWPBISHCHIY-HYARGMPZSA-N 428.444 3.946 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C(=O)NC1=S 409107566 RXXLEOYOLOCBEA-XMHGGMMESA-N 445.500 3.569 10 40 IHCB CCCc1cc(=O)oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)c(Cl)cc12 524731036 HZJRNFSLLHAQOP-ZBFHGGJFSA-N 440.927 3.886 10 40 IHCB biogenic C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2N1C(=O)c1ccccc1 223267934 DPGLFRYKPQYHAG-HNNXBMFYSA-N 436.489 3.808 10 40 IHCB CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 36109417 HTJMOHHCMQTVLL-MFOYZWKCSA-N 443.506 3.703 10 40 IHCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C1=O)OCO2 409221528 RORUODIKXMQJKI-MKMNVTDBSA-N 444.896 3.607 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1 2290527 ZDDBMZWBTSEEOW-GDNBJRDFSA-N 431.491 3.816 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccc(Cl)cc3)c3nnnn3C(C)C)CC2)cc1 20140461 DHFHHLLYPHYTLY-OAQYLSRUSA-N 426.952 3.828 10 40 IHCB O=C1C[C@@H](N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccccc1 100972127 GZWFLTWADOSEAQ-RMFUMNGISA-N 433.514 3.701 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C(=O)NC2=S)cc1 408848751 TTYJEMHNWLFTMQ-RCCKNPSSSA-N 447.516 3.716 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)c1C 409146472 UHFIAMXFQUBMRW-CPNJWEJPSA-N 430.533 3.937 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1cccc(C)c1 409372164 JCRHSAYZBFJACN-UDWIEESQSA-N 446.459 3.838 10 40 IHCB Cc1cccc(N2C(=O)/C(=C3/C(=O)N([C@H](C)C(=O)O)c4ccccc43)SC2=S)c1C 8925873 HRJUQRHIRUATLG-XAGMJWQQSA-N 438.530 3.899 10 40 IHCB Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 95470304 GGLJFYXFKKPCRV-BHIFYINESA-N 437.451 3.690 10 40 IHCB COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 102712053 NQUPGJZOCGMEGD-TZRRMPRUSA-N 443.503 3.812 10 40 IHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)c1C 108019550 ONVZRFHCFSEFHV-STZFKDTASA-N 429.476 3.651 10 40 IHCB O=C(O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)SC1=S 409101053 PBPWCKHQTFIFRZ-GZTJUZNOSA-N 444.490 3.850 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 9265355 PVHMKDYRXWZIPZ-UYRXBGFRSA-N 443.459 3.767 10 40 IHCB CCC1=NN2C(=N)/C(=C/c3cccn3CCOc3ccc(C)cc3OC)C(=O)N=C2S1 13941932 ZTDGUIAJXRYGQT-RVZGYLCTSA-N 437.525 3.913 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)C(=O)NC2=S)cc1 6645196 YWDGUQLFZZHNBW-QPEQYQDCSA-N 437.304 3.842 10 40 IHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cccc(C)c1 41078518 KRISDCRXVQJZJM-GKJKXNJGSA-N 433.464 3.912 10 40 IHCB CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219099059 XAJYHVKZPWOMHR-HSZRJFAPSA-N 443.613 3.846 10 40 IHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 409392148 LMYYGVNSKFYHOC-DEDYPNTBSA-N 440.434 3.890 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(C)c1 13008125 TXWPNWIGCKTEOK-DEOSSOPVSA-N 434.584 3.578 10 40 IHCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 28296970 BHFVYCMDWDWDHK-KOLYXTFFSA-N 434.451 3.538 10 40 IHCB CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC 112292869 ANKKMELEZLESMY-STZFKDTASA-N 438.440 3.645 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)CC1 225423074 BQHPKTPDBDQLCD-GOSISDBHSA-N 429.586 3.664 10 40 IHCB CCOC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O 8994782 HSNOVMAHPGXBFJ-GZTJUZNOSA-N 435.411 3.986 10 40 IHCB CN1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N(C)C1=S 9471627 LVVQNNUXXBUHHK-UHFFFAOYSA-N 425.941 3.501 10 40 IHCB COC(=O)c1cc2ccccc2c(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1O 12990140 PUHHSSVKDSKLIM-INIZCTEOSA-N 445.562 3.583 10 40 IHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(OC)c1OC 2442104 PBIASTPYZQVAIC-BOPFTXTBSA-N 444.534 3.567 10 40 IHCB CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 6350920 QWTGQGINYVJNOO-KRWDZBQOSA-N 427.501 3.845 10 40 IHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccccc2F)c1 107736905 VTLKIPAVHSIJTF-STZFKDTASA-N 431.467 3.932 10 40 IHCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21)NC1CC1 409130027 MZKVTIKCWSYKSA-JMIUGGIZSA-N 448.573 3.716 10 40 IHCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N([C@H](C)C(=O)OC)C1=O 1239090 IFKJULXAKVOZLC-PGEKAQRJSA-N 430.345 3.611 10 40 IHCB O=C(O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672149 SYRWCMVZBIORDX-WUKNDPDISA-N 444.921 3.543 10 40 IHCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccncc3)c2C)C(=O)N(c2ccccc2)C1=O 4108031 HOJPKDLZGJSNMG-JWGURIENSA-N 444.491 3.514 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OC 8819369 ZAWUSNWLCGWFLW-MFOYZWKCSA-N 432.498 3.683 10 40 IHCB CCCOc1c(Br)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OCC 8958803 XYZORCGYPRLZTG-ZROIWOOFSA-N 427.320 3.743 10 40 IHCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 13547899 AIJHZWJYOJWVQH-YBEGLDIGSA-N 425.528 3.559 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224419355 AZQYUMMKXUOHRH-INIZCTEOSA-N 437.993 3.657 10 40 IHCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1Cl 649849 KEABDKRVVAAOPB-RIYZIHGNSA-N 434.721 3.938 10 40 IHCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1220236 RCIMVVVNOLAAOT-BPKVKKHESA-N 439.967 3.988 10 40 IHCB CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 4106674 CLKFOXJWKNDLGM-JXAWBTAJSA-N 434.496 3.514 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(Cl)c3)N3CCCC3)ccc21 9135511 XEVMRLABVBANQO-JOCHJYFZSA-N 440.975 3.614 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Br 14132805 RCAKTVZAFAEULU-GXDHUFHOSA-N 429.270 3.823 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 36352110 LNJXTUWEFAGQOI-XNTDXEJSSA-N 433.467 3.514 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3I)C2=O)cc1 408550676 IVPPRZKSXLXUEP-RVDMUPIBSA-N 446.244 3.520 10 40 IHCB Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 409123710 HOMUDIMTACASGB-PDGQHHTCSA-N 439.541 3.680 10 40 IHCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1 1252244 ZTYZEMFMKWXLIA-YBEGLDIGSA-N 434.926 3.903 10 40 IHCB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccccc2O)C1 9060532 YKDXXBFHCNNCMC-SFHVURJKSA-N 441.534 3.817 10 40 IHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 13496596 FPDSCGVJPYCFHD-AQTBWJFISA-N 439.522 3.662 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccc(C)cc3)c3nnnn3Cc3ccco3)CC2)cc1 13505047 JCUYAVDDOMKCFW-DEOSSOPVSA-N 444.539 3.543 10 40 IHCB COc1ccccc1NC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 27530597 PXBLHSTXOMTVHP-WOJGMQOQSA-N 444.534 3.552 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(C(=O)O)cc2)c2ccccc12 34807107 RNSQXZAWJOZWNQ-HMAPJEAMSA-N 437.455 3.849 10 40 IHCB COc1ccc(CCN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 35040727 PIIKXDAYXPVUCX-LDADJPATSA-N 431.535 3.862 10 40 IHCB COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 41078512 AXVWKUXKAIOVLI-ZGKGBVRBSA-N 449.463 3.612 10 40 IHCB Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)c1 101486087 XELSQRYVFXHJRX-YPAWHYETSA-N 437.451 3.690 10 40 IHCB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCC3)[nH]n2)cc1 223809794 OPFRVEFZUQVEKQ-XMMPIXPASA-N 433.556 3.718 10 40 IHCB COC(=O)COc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cccc1OC 408534718 UFMBPCVUKGWNAT-BOPFTXTBSA-N 429.519 3.648 10 40 IHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)c1 408901764 ZUYBOHAZFUGFQA-PXLXIMEGSA-N 428.492 3.827 10 40 IHCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 409195954 XDKASXJBISHDPR-PBSOMRJOSA-N 437.839 3.607 10 40 IHCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 409394388 ZUYNMJLKKOXSCL-KGENOOAVSA-N 430.464 3.554 10 40 IHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c1C 9293395 FACNGVRSSZQUPT-SVQIGFJBSA-N 438.469 3.650 10 40 IHCB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 33581948 PBNJYCSCWIETGR-ODLFYWEKSA-N 449.557 3.631 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCC(=O)O)SC2=S)cc1 409327277 IUIMSBLAZGJSGA-YBEGLDIGSA-N 431.491 3.573 10 40 IHCB CCCOc1c(Br)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC 32109980 XYZORCGYPRLZTG-NTEUORMPSA-N 427.320 3.743 10 40 IHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 108099850 AJEHPLXQLPSNLX-NSIKDUERSA-N 446.253 3.644 10 40 IHCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 8993188 JBJRANBHRTXJHU-UYRXBGFRSA-N 439.562 3.624 10 40 IHCB Cc1cc(=O)n2nc(CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)sc2n1 23237682 QMJOEBRKCFEJBF-MRXNPFEDSA-N 439.566 3.794 10 40 IHCB C[C@@H]1CSC2=[N+]1[C@](O)(c1ccc([N+](=O)[O-])cc1)CN2c1ccc(Br)cc1 27525178 SGQXCQSYDZGFDY-KZULUSFZSA-N 435.323 3.526 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(OCC)c3)C2=O)cc1 408897974 KASJWAYMJHHSKP-RGEXLXHISA-N 438.480 3.939 10 40 IHCB O=C(NN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S)c1ccc(Cl)cc1 10232935 VTECCINANLLUFD-YBEGLDIGSA-N 432.910 3.657 10 40 IHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2F)N2CCc3ccccc32)cc1 16914990 YJAAFZZRYGEBID-QHCPKHFHSA-N 439.556 3.974 10 40 IHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1 104090836 SOYVDBUUZKUJMU-NVWMPKGRSA-N 434.481 3.757 10 40 IHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N(C)C)cc1 223579929 MVLSYIAXLLEQAD-GOTSBHOMSA-N 435.597 3.520 10 40 IHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1 408875704 LJXUMZUROJWFFV-DEDYPNTBSA-N 445.406 3.991 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 409232260 NMOATDCFMIGGNP-GHRIWEEISA-N 446.415 3.710 10 40 IHCB COCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCCC2 2792947 FNAMSUBVPTVJRK-JKSUJKDBSA-N 435.542 3.816 10 40 IHCB CN(C)c1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 15675740 GHFLMNHHNOCSLV-NRFANRHFSA-N 445.483 3.734 10 40 IHCB biogenic,in-vitro COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 30419053 LZCUCOOFQGDHBM-UHFFFAOYSA-N 425.348 3.536 10 40 IHCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1 408535641 ZFEJJYXDNUJWNR-UKTHLTGXSA-N 447.278 3.899 10 40 IHCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)O 409192882 GPRWWBVOTHJPPO-LZAIMSLLSA-N 449.246 3.512 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3OC)C2=O)cc1OC 1241638 SMNHAWMAJXLPAN-PDGQHHTCSA-N 444.534 3.649 10 40 IHCB COc1cc(N2CCCC2)ccc1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 15013624 MGTOKZFXZIFLND-UYRXBGFRSA-N 435.549 3.744 10 40 IHCB C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)O 59247833 OCENCLIOBCXDIB-QQMDNXKGSA-N 449.246 3.512 10 40 IHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2F)C1=O)N1CCCCC1 409379190 VOJQQPLLAZINEU-UYRXBGFRSA-N 431.533 3.865 10 40 IHCB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1-c1ccc2c(c1)OCCO2 2643061 FHRCTHSGWPAXHS-UHFFFAOYSA-N 442.449 3.875 10 40 IHCB COc1cc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(C(C)=O)CC2)ccc1O 10214260 UEMOKCZGRHPSMF-LJQANCHMSA-N 441.915 3.936 10 40 IHCB O=C(O)COc1cccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)c1 16909760 IHXJHHWBSNLOCP-OQLLNIDSSA-N 433.283 3.995 10 40 IHCB CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)c2ccccc21 207986763 SEUJVOYLLUZFFO-KWJZBXMYSA-N 429.520 3.844 10 40 IHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 408771752 CJYLMBJRGOPFAQ-JYRVWZFOSA-N 435.661 3.778 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 409059614 RCROUGSXSMSNOW-BOPFTXTBSA-N 439.464 3.598 10 40 IHCB C[C@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 13572994 DJVIYPBCLKBNMV-RQUCNENLSA-N 439.002 3.693 10 40 IHCB COc1ccc(N2CC(=O)N(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2=O)c(OC)c1 15412798 XQBAACWOKKTCER-RUZDIDTESA-N 445.519 3.891 10 40 IHCB COc1ccc(-c2csc(NS(=O)(=O)c3cc(NC(C)=O)ccc3OC)n2)cc1 28248736 KWIBCMCAFXPUPX-UHFFFAOYSA-N 433.511 3.587 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 222422417 SWUSQRDYICUQDV-QZTJIDSGSA-N 429.586 3.810 10 40 IHCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)s3)N3CCCC3)ccc21 8801034 IKEVFYARQPGLTO-QGZVFWFLSA-N 426.007 3.509 10 40 IHCB COc1cccc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)c1 8819360 DEJSMUKGDCKRPE-ZDLGFXPLSA-N 444.534 3.552 10 40 IHCB COc1ccc(N2CCN(C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)CC2)cc1 12548800 PXLWYZUYFUFRLH-VWLOTQADSA-N 443.547 3.905 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C)cc1F 12610270 GGUDFHHIEIJSKF-UHFFFAOYSA-N 426.469 3.569 10 40 IHCB CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 15134501 OEEVDVOLQIREGD-UHFFFAOYSA-N 427.501 3.623 10 40 IHCB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)COC(=O)c1cccc3c1C(=O)c1ccccc1C3=O)C2 102862496 GNBYXKGSLFSTFU-GVAPNCHASA-N 445.515 3.950 10 40 IHCB O=C(COc1ccc(Br)cc1Cl)NCc1ccc(N2CCOCC2)cc1 218945742 MFSUIJBSSJQAPS-UHFFFAOYSA-N 439.737 3.634 10 40 IHCB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(/N=N\c4ccc(C)cc4)cc3)C(=O)[C@H]12 409288145 DFFXCRSDAKDQRZ-CANYGOEUSA-N 431.448 3.787 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C/c3cccc(Br)c3)C(=O)NC2=S)c1 408740212 DVURNKLSKNQEDY-MHWRWJLKSA-N 431.311 3.679 10 40 IHCB O=C1[C@H](Cc2cc3c(cc2Br)OCO3)SC(=S)N1Cc1cccnc1 409149518 ITRMYBXJOVGROE-HNNXBMFYSA-N 437.340 3.544 10 40 IHCB CCCN1C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)SC1=S 409338074 CMXXCDPQNXVNPC-WQLSENKSSA-N 449.335 3.920 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11550608 VSAYJMPRWCXWGJ-UHFFFAOYSA-N 448.523 3.710 10 40 IHCB COc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1-n1c(C)ccc1C 95982644 SQKALGQXUYCWRY-UHFFFAOYSA-N 447.579 3.989 10 40 IHCB COC(=O)C[C@H](c1cccnc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221963 AJDXOMLYBNYLHQ-OAHLLOKOSA-N 433.416 3.667 10 40 IHCB biogenic Cc1cc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Br 408536628 WWZOUGHMKVJITA-FMIVXFBMSA-N 434.677 3.990 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Br 408804149 WJVPISLKXBLKTN-XNTDXEJSSA-N 429.270 3.823 10 40 IHCB COCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)SC1=S 2695961 YYLIFRWDMPBCNE-HNENSFHCSA-N 442.537 3.980 10 40 IHCB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1ccccc1F 8810703 ZMMMCVDRIKIZSY-UHFFFAOYSA-N 432.404 3.747 10 40 IHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1 409065674 IRAQEHMLNPZXSC-GXDHUFHOSA-N 446.912 3.506 10 40 IHCB O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16477885 RWCNJJDKELWFMB-UHFFFAOYSA-N 427.460 3.692 10 40 IHCB Cc1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O 20457010 GTVBJUFTDFHFDA-UHFFFAOYSA-N 427.570 3.591 10 40 IHCB CCCCn1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)ccc1=O 23582365 QUFBREHFDHBMCH-UHFFFAOYSA-N 439.487 3.938 10 40 IHCB N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(c3ccco3)=NN12 41076750 GFWDMHPQIMONBC-WSYITQDSSA-N 432.421 3.646 10 40 IHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 41078388 ZUPUQOWXZHHKES-XPERVBFOSA-N 427.800 3.611 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 409058571 YWIMWFCLGMTAJH-WQRHYEAKSA-N 439.464 3.598 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1OC 35648467 VRBULBWHUITMMC-RQZCQDPDSA-N 431.491 3.904 10 40 IHCB COc1ccc(N2CCN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)CC2)cc1 65095170 CQFQHFPMOGLTLW-UHFFFAOYSA-N 441.329 3.810 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C2=O)c1 408846544 NXBJVJSBWBCWQZ-XNTDXEJSSA-N 444.285 3.617 10 40 IHCB Cc1ccc(C)c(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 13632457 QHCPQTJTVVFDDX-UHFFFAOYSA-N 443.613 3.766 10 40 IHCB CNC(=O)NC(=O)CCSc1ncc(-c2ccc(Br)cc2)n1CC(C)C 32754544 NAWVVERXGMLVSM-UHFFFAOYSA-N 439.379 3.906 10 40 IHCB Cc1ccc(S(=O)(=O)N2CCCN(Cc3c(O)c(Cl)cc(Cl)c3O)CC2)cc1 32909250 JVICEQAQWYTKER-UHFFFAOYSA-N 445.368 3.610 10 40 IHCB COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 206238598 LSYCWNMYTVKGTG-XNTDXEJSSA-N 432.910 3.673 10 40 IHCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)ccc21 409195729 VPDXNZFAISVBNR-YXHQGMJNSA-N 437.839 3.607 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc(OC)c1OC 2702132 BRTIAQPQSCITFY-YVLHZVERSA-N 445.518 3.745 10 40 IHCB COc1ccc(N2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 9469385 OFJPTSFQFRYNEH-UHFFFAOYSA-N 429.369 3.598 10 40 IHCB O=C(CN1CCN(Cc2cc3c(cc2O)CCC3)CC1)Nc1ccccc1C(F)(F)F 22384852 ACSBWAZKYIQVIV-UHFFFAOYSA-N 433.474 3.656 10 40 IHCB COc1ccc(NC2=NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S2)c(OC)c1 35043422 QLCGSQKJJDWJEB-VCHYOVAHSA-N 430.482 3.812 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3cc(OC)c(Cl)cc3OC)C(=O)N=C2O)ccc1O 38168090 UZVWFYFKOBMNOU-WDZFZDKYSA-N 432.816 3.578 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2nccnc2c1 54361070 LBIZIPWRQVAYET-WJDWOHSUSA-N 426.548 3.921 10 40 IHCB COc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OCC(=O)O)SC1=S 409340318 UZECSZCPBNZNQB-MHWRWJLKSA-N 431.491 3.573 10 40 IHCB COc1ccc(-c2nn3ccnc(N4CCN(c5ccc(OC)cc5)CC4)c3c2C=O)cc1 15829417 YDHPYIQOGIBZRF-UHFFFAOYSA-N 443.507 3.553 10 40 IHCB COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 41077631 DAZVNDIYUCDWGB-UYRXBGFRSA-N 431.535 3.993 10 40 IHCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1C 112292359 DHHXYYCXYLSANO-BKUYFWCQSA-N 439.468 3.608 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)(C)C)c3C)C(=O)NC2=S)c(OC)c1 409065529 MIWCQMUJCNNFPE-GZTJUZNOSA-N 441.553 3.708 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCc1ccc(O)cc1 9347987 BOZQFIWPPYIIHZ-AQTBWJFISA-N 446.981 3.996 10 40 IHCB COc1ccc(OC)c(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c1 35042548 JGRRJQPYNPWSRF-XSFVSMFZSA-N 427.501 3.635 10 40 IHCB N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084437 WFGNYOQSDSOVRN-OTLVRQKTSA-N 441.900 3.509 10 40 IHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223695348 YIYYHSIZDCECNF-GOTSBHOMSA-N 449.580 3.728 10 40 IHCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1 409354205 ADQDQZVCRYRJPN-OQLLNIDSSA-N 435.427 3.845 10 40 IHCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 9334798 FNOYICKQCQKXFA-ODLFYWEKSA-N 448.395 3.509 10 40 IHCB CN1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)CC1 20323857 CSHDSSBEFFZDFU-BOPFTXTBSA-N 432.889 3.726 10 40 IHCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 409024453 YNYBEEUSLJTEAL-WJDWOHSUSA-N 437.408 3.825 10 40 IHCB CC(C)(C)NC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1248307 FCZWNHVFYHNWEZ-RAXLEYEMSA-N 427.389 3.955 10 40 IHCB CCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NC1=O 15401563 SNRHVIUCVUDNPZ-HMMYKYKNSA-N 438.509 3.786 10 40 IHCB Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)c1 36109044 YRVAMXNQIMBNAX-PMACEKPBSA-N 443.613 3.875 10 40 IHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 107650090 NGENUZZITPAOQY-DHDCSXOGSA-N 449.897 3.803 10 40 IHCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 408766232 AMTCAROPTIGXCB-KPKJPENVSA-N 439.733 3.933 10 40 IHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3Cl)CC2)cc1 665385 AMYSBQORAGDVDD-UHFFFAOYSA-N 431.341 3.522 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)cc1OC 1245752 KGYPAWOJHJNETN-BOPFTXTBSA-N 432.498 3.779 10 40 IHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)c1 9311422 CGWWFQVAFXKFCT-UNOMPAQXSA-N 430.416 3.928 10 40 IHCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 100758685 OZLMLADODAJPFY-KAPAPQLMSA-N 435.484 3.633 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1 408785809 CCFNVLFPCXJIIS-XDHOZWIPSA-N 430.416 3.928 10 40 IHCB CN(C)c1ccc(/C=C/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 409369985 IWILFCCYIOOMGE-PDJSDWQYSA-N 447.560 3.930 10 40 IHCB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 8801612 DUMKHFDUTSPFMO-QFIPXVFZSA-N 443.613 3.501 10 40 IHCB CCc1ccccc1NC(=O)CN1CCN(Cc2c(O)c(Cl)cc(Cl)c2O)CC1 25058401 UZDJCXRLIKLDKD-UHFFFAOYSA-N 438.355 3.723 10 40 IHCB Cc1ccc(/N=N\c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@](C6OCCO6)(O5)[C@@H]4C3=O)cc2)cc1 409285049 VHJBYPIKUGWDFU-LTWYNHRASA-N 431.448 3.596 10 40 IHCB COc1ccc(CNC(=O)COC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC 2665102 FYUGOHQQDBHSQZ-UHFFFAOYSA-N 436.508 3.893 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1O 9234576 RSZUQPFATFQHCI-QGMBQPNBSA-N 444.578 3.850 10 40 IHCB COc1ccc(N2CCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)CC2)cc1 12564274 YDMWWGCDQNCMJY-IBGZPJMESA-N 431.945 3.500 10 40 IHCB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 225833196 UCNGWWWLWVANFK-ULJHMMPZSA-N 445.519 3.512 10 40 IHCB O=C1Nc2cc(Br)ccc2/C1=C1/SC(=S)N(c2cccc(O)c2)C1=O 1908075 PXWUFKGJWZFPFL-YPKPFQOOSA-N 433.308 3.883 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)CS[C@@H]3NC(=O)CC(=O)N3CC(C)C)c2C)cc1F 10427837 HOWKOUDNRGVJOW-HSZRJFAPSA-N 445.560 3.746 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)S1 33649917 IPGKGOBQYDZIRD-ZDLGFXPLSA-N 443.912 3.772 10 40 IHCB CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1Cl 225421539 HTCASMUIZTWJCY-UHFFFAOYSA-N 433.961 3.840 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC(C)C 408808554 QEWHIOJWHBVYKC-OVCLIPMQSA-N 430.844 3.508 10 40 IHCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408993284 DBRLIJNZERCLTC-UHFFFAOYSA-N 433.439 3.562 10 40 IHCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O 409242604 WWDUVDYSBUPPNN-CPNJWEJPSA-N 428.510 3.954 10 40 IHCB COCCN(CCOC)Cc1c(O)ccc2c(O)c(-c3ccc(Cl)cc3)c(=O)oc12 20646918 YTUMBWCXQQAZPJ-UHFFFAOYSA-N 433.888 3.619 10 40 IHCB biogenic O=C1C[C@@H](c2ccsc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222113 BYAYTWXBBMMPSX-NSHDSACASA-N 438.413 3.785 10 40 IHCB biogenic COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S 409203343 XHFDYNUUGZGMBJ-ZDLGFXPLSA-N 447.509 3.788 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1[N+](=O)[O-] 8819245 LUBXZTODEZABAE-WJDWOHSUSA-N 431.470 3.964 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9432101 UPHSHEUXZXPTTF-SHACYNPGSA-N 437.496 3.506 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccccc3OC)c3nnnn3C3CCCC3)CC2)cc1 19556516 FJAKLMISLRNGKE-XMMPIXPASA-N 448.571 3.717 10 40 IHCB C[C@@H]1CSC2=[N+]1[C@@](O)(c1ccc([N+](=O)[O-])cc1)CN2c1ccc(Br)cc1 27525182 SGQXCQSYDZGFDY-XIKOKIGWSA-N 435.323 3.526 10 40 IHCB COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cccc1OC 408535180 VDFNMHZWRGBMAD-BOPFTXTBSA-N 445.518 3.661 10 40 IHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)NC1=S 409130184 KPBJQWHPZOSWFX-PDGQHHTCSA-N 439.541 3.680 10 40 IHCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1Cl 13009426 CMAXGOXEEDQWID-UHFFFAOYSA-N 429.734 3.819 10 40 IHCB CN(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 13503977 VEHIUTCVAGQHID-QFIPXVFZSA-N 437.567 3.545 10 40 IHCB CCN(CC)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)cc4)nn3c2=O)cc1 27022495 QQSSHYFNNJHFPY-MPKIVNMISA-N 432.549 3.724 10 40 IHCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 41078441 WSOIVFOJFKAFOE-LECIVKJOSA-N 435.411 3.894 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1F 408692598 QJAQTIXCKZRYFX-LDADJPATSA-N 438.455 3.818 10 40 IHCB CC1CCN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCC4)c(F)c2)CC3)CC1 72347358 OVCIYRUNFHGGPZ-UHFFFAOYSA-N 425.552 3.716 10 40 IHCB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O 101065892 SYPBHEQVTDEXFB-VWPQPMDRSA-N 434.423 3.591 10 40 IHCB CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)cc(Br)c1OCC 409145913 QRMZKWZMKXPIHO-AWEZNQCLSA-N 448.404 3.664 10 40 IHCB COc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 2195791 YWPPFFYWZFCOID-CPNJWEJPSA-N 433.439 3.908 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 408743247 ZRRUAEQORKCQEX-XSFVSMFZSA-N 428.444 3.941 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1cccc(F)c1 408873935 XMQLCGUGRAVDGQ-FYJGNVAPSA-N 446.434 3.797 10 40 IHCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)c(Br)c2)C1=O 409057489 PFGUXAWFZHHDNO-XNTDXEJSSA-N 441.347 3.895 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S 409173603 MEWNICGDPQKMLM-GHRIWEEISA-N 437.908 3.971 10 40 IHCB COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 1237746 VOKQEBSIXZZIFQ-WQRHYEAKSA-N 442.518 3.654 10 40 IHCB CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1 9311796 BWUUWGPALHMAJS-BKUYFWCQSA-N 430.533 3.883 10 40 IHCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15996371 KCGUUCAKPQAXQF-CWBXHPNXSA-N 444.531 3.696 10 40 IHCB Cc1cccc(N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)C)CC2)c1C 35289892 MMCHXKLKJQXUDG-DEOSSOPVSA-N 433.604 3.848 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408797828 STIDMKPHYOHQTP-YVLHZVERSA-N 427.428 3.729 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OCC 409220743 FEYUVPXTXBMMAE-SDNWHVSQSA-N 430.913 3.969 10 40 IHCB CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)s1 924826 KYSYHCBHLNCSEZ-OAHLLOKOSA-N 429.571 3.874 10 40 IHCB COC(=O)c1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN(c3ccccc3)CC2)cc1 25702024 SFBPFLBMORZMIT-VWLOTQADSA-N 446.503 3.819 10 40 IHCB CCCCCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)c2ccccc21 27563182 CXIZCCQZEWMMSG-VLUKHXRESA-N 432.567 3.746 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)c(OC)c1 35040743 ZNHBEZSPLLIZOK-RQZCQDPDSA-N 433.507 3.832 10 40 IHCB CN(C)c1ccc(CN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C2CC2)cc1 40155679 XDIBKWKEEZGACV-UHFFFAOYSA-N 446.551 3.879 10 40 IHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1O 223269193 MRTOGLLLXUFCMU-PKTZIBPZSA-N 435.597 3.729 10 40 IHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 18154180 LLQLPNKAGQWUKU-BHIFYINESA-N 437.451 3.690 10 40 IHCB CCOC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cl 95471054 MHHMPTWBKFKKAR-GDNBJRDFSA-N 448.262 3.749 10 40 IHCB CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408799952 LZNDEQZXFAKJKA-MHWRWJLKSA-N 445.269 3.608 10 40 IHCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Br 34859437 NALHMEFHCYGQNJ-JYRVWZFOSA-N 430.345 3.612 10 40 IHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 100323923 AWAWUILLUYUZGG-FDFHNCONSA-N 443.499 3.818 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)O 206838228 TZFFBYCJYDHNBN-WOJGMQOQSA-N 444.534 3.630 10 40 IHCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408806529 FCXKGGLPLVPZFP-MHWRWJLKSA-N 445.269 3.523 10 40 IHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCC 408876662 MZSTZAJWAKEDCH-LCYFTJDESA-N 432.835 3.943 10 40 IHCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(Br)c2)C1=O 408880681 HWSAXBUUOPOMTR-WUXMJOGZSA-N 435.661 3.783 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)cc1 409234455 WUIVWDIXMYLOMM-XSFVSMFZSA-N 430.533 3.883 10 40 IHCB CCN1CCN(c2ccc(NC(=O)CN(C)Cc3ccc(N4CCCCC4)cc3)cc2)CC1 9604532 LTZKKCFDMKXHQL-UHFFFAOYSA-N 449.643 3.889 10 40 IHCB CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc1OC 59104355 JCWDIWFDQZBJJM-AWNIVKPZSA-N 444.827 3.983 10 40 IHCB C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(N2CCCC2)cc1 224383711 JPYBHYWPMLHWFQ-GOSISDBHSA-N 427.570 3.708 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)=O 409333767 VQTOIWOKWVKTQS-LICLKQGHSA-N 430.463 3.935 10 40 IHCB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 664967 MGTOKZFXZIFLND-CPNJWEJPSA-N 435.549 3.744 10 40 IHCB CCN(CC)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 11859248 WHMDNAXBUHFIIE-BBTUJRGHSA-N 435.446 3.637 10 40 IHCB CCN1C(=O)C(=CNc2c(-c3cccs3)nc3cc(C)ccn23)C(=O)N(CC)C1=S 13145571 IGKHJEQKZBYWDX-UHFFFAOYSA-N 439.566 3.663 10 40 IHCB COc1ccc(OC)c(N2CC(=O)N(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)c1 15412572 HXHWDPPGYKWBBI-VWLOTQADSA-N 445.519 3.891 10 40 IHCB C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 16371974 ISQNYXAJJQEDCY-ZDUSSCGKSA-N 447.520 3.683 10 40 IHCB Cc1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)cc1Cl 20205720 VKIFJJUBLJNSNP-ULUISBJDSA-N 448.913 3.530 10 40 IHCB CCCC[C@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 20841650 RVFWGDGROPPTRP-RWZYYMRUSA-N 445.560 3.765 10 40 IHCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)C 108241629 OTEGGXNQBPXYIE-YBEGLDIGSA-N 431.286 3.706 10 40 IHCB CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)c2C)cc1 9603523 YTPFEIFXZUBAMO-LJQANCHMSA-N 441.557 3.633 10 40 IHCB CCN(Cc1ccccc1)C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 35337394 QTUIIIFQWBAZDP-UHFFFAOYSA-N 427.456 3.668 10 40 IHCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 59138889 IEQKCCFEHPTDKP-QGOAFFKASA-N 447.403 3.872 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)CC1 225627238 DDTKNOFOBALNFZ-AUSIDOKSSA-N 443.613 3.733 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O 409226277 MPPDXLRINUWVHJ-XNTDXEJSSA-N 445.338 3.906 10 40 IHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 409244964 LICPJGREOROUBI-CJLVFECKSA-N 432.524 3.771 10 40 IHCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)nc1 409371996 XRXQUZXNBBSAFA-UNOMPAQXSA-N 438.553 3.846 10 40 IHCB COc1ccc2c3c(n(CCc4ccc(O)c(O)c4)c(=O)c2c1OC)-c1ccccc1C3=O 524729297 MWQXGSYNZWJPQO-UHFFFAOYSA-N 443.455 3.884 10 40 IHCB biogenic COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12 9060073 LEPYZCGZSPCTNX-HAHDFKILSA-N 434.471 3.679 10 40 IHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1 17095637 DEXBXVGMJLDYML-STZFKDTASA-N 427.888 3.678 10 40 IHCB COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221899 CUUHNHMOQUIBCP-INIZCTEOSA-N 448.427 3.977 10 40 IHCB biogenic O=c1oc2c(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)ccc2cc1-c1ccccc1 100655730 VQRWNRTZFBOALJ-PXNSSMCTSA-N 440.499 3.947 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)cc1 4087082 LWWMEQSWGBNIMJ-UDWIEESQSA-N 447.447 3.976 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1C 13008119 IMOZUXZWXLFSSN-XMMPIXPASA-N 434.584 3.578 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 27530595 QMDCTAVUODKHIF-WOJGMQOQSA-N 428.535 3.852 10 40 IHCB Cc1ccccc1-n1c(C)cc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c1C 59271066 NLNQTNSTNDSEQZ-UHFFFAOYSA-N 431.414 3.565 10 40 IHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 409393950 TZYJCEUTTZSOPE-SFQUDFHCSA-N 426.354 3.558 10 40 IHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Br)s1 409249756 LIPCHBJDIVKHPL-VQHVLOKHSA-N 427.732 3.995 10 40 IHCB O=S(=O)(Nc1ccccc1CNCc1ccc(N2CCOCC2)cc1)c1ccccc1 97101471 YZLREJNNNMYCTK-UHFFFAOYSA-N 437.565 3.614 10 40 IHCB Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)c1 22327494 PKLISIYYLNKPQQ-HXUWFJFHSA-N 443.613 3.875 10 40 IHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OC(C)C 408882142 LJDPMSMVWNRXQU-JYRVWZFOSA-N 432.835 3.941 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1C 409088283 KSJJIZZPBZCNEF-GXDHUFHOSA-N 430.913 3.805 10 40 IHCB CN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccccc23)SC1=S 409123116 FAHSVMACIQGOES-MFOYZWKCSA-N 427.576 3.850 10 40 IHCB COc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1OC 8821679 AUSYTYUJAMGLLR-ZHZULCJRSA-N 427.501 3.635 10 40 IHCB CCOc1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1OCC 32099549 UTILPFVDJDVGAY-YBEGLDIGSA-N 431.286 3.708 10 40 IHCB CCOc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)ccc1OCC(=O)N(C)C 97990659 WHJCJRXPVLTXOB-DEDYPNTBSA-N 439.537 3.943 10 40 IHCB CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 223311280 HPWTWKZNOGUGJC-UHFFFAOYSA-N 435.958 3.943 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OC)c3)C2=O)cc1 408815458 WWNUJZVEXAHOML-MHWRWJLKSA-N 444.871 3.812 10 40 IHCB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O 409366925 XNNLGNRPOIJSGR-PDICVPPASA-N 441.347 3.893 10 40 IHCB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 9135653 CHJBBKNZEBCEGR-DEOSSOPVSA-N 434.584 3.523 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OC 9188737 GGBKOWWXBLUBRM-PDGQHHTCSA-N 428.535 3.949 10 40 IHCB COC(=O)c1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 49003858 QVCHLQZPKJQDCX-UHFFFAOYSA-N 446.912 3.516 10 40 IHCB CCN(CC)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 223382949 NGZBEYFNOOWOIE-UHFFFAOYSA-N 443.613 3.779 10 40 IHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br 408800965 QNGFVJUFTJIWRS-OQLLNIDSSA-N 445.269 3.608 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC(C)=O 409343024 FSKFJKTYEWGPNM-MHWRWJLKSA-N 448.547 3.618 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 1180755 NPVGCQCYBCAXJL-VCHYOVAHSA-N 426.519 3.954 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 1447280 FIKHVWXQDCYKQF-UEIJICEPSA-N 443.546 3.991 10 40 IHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N2CCc3ccccc32)cc1 16914913 LYOROPBQUWGBGQ-DEOSSOPVSA-N 439.556 3.974 10 40 IHCB CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N(C)C1=O 59087247 JLSNFUBCOOJTHM-UHFFFAOYSA-N 425.847 3.916 10 40 IHCB O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106740838 PDSJRCCKVRFZSR-UYRXBGFRSA-N 425.466 3.668 10 40 IHCB COc1ccc(N(C)CCCNC(=O)c2ccc(C)cc2I)cc1 225031530 GPOSKHCFUPIXFI-UHFFFAOYSA-N 438.309 3.865 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1C 9165212 BJWGKEUZBBINPA-VWLOTQADSA-N 448.611 3.968 10 40 IHCB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 9215823 WSJOZDVTHRADJK-FDIDITGRSA-N 446.981 3.994 10 40 IHCB C[C@H]1CSC2=[N+]1[C@](O)(c1ccc([N+](=O)[O-])cc1)CN2c1ccc(Br)cc1 27525180 SGQXCQSYDZGFDY-KPZWWZAWSA-N 435.323 3.526 10 40 IHCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 100323913 CEOFLJUWINRSDL-QHAWAJNXSA-N 429.472 3.510 10 40 IHCB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc21 225710384 LWIAGWLVSXAGRG-UHFFFAOYSA-N 431.583 3.723 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)c1C 409194554 PQPMJENKGYFUME-BRFSQIRFSA-N 431.448 3.570 10 40 IHCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 1293947 XMRLJZRNBPTHQD-MHWRWJLKSA-N 434.926 3.903 10 40 IHCB CCOC(=O)c1ccccc1NC(=O)C[C@@H]1SC(=S)N(CCc2ccccc2)C1=O 9024715 BIIFLWHUZCOROI-SFHVURJKSA-N 442.562 3.664 10 40 IHCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9165253 WYSLUJGBYUTZPP-VWLOTQADSA-N 448.611 3.968 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 27530528 QKVHDDRQDSHFJP-GZTJUZNOSA-N 442.518 3.623 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)cc1Cl 409351381 ULKSENCOFSPBTE-LZYBPNLTSA-N 434.926 3.619 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OC(C)C 409371095 AZKJXMABINEWRY-OVCLIPMQSA-N 432.860 3.781 10 40 IHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 8400719 ZWBGDSBSNNQZDW-VAKHEIKFSA-N 429.450 3.941 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2oc(=O)ccc2c1 13575765 XMOATIWFIZIWBZ-DHDCSXOGSA-N 428.516 3.694 10 40 IHCB CCc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 96936833 YFPFIZJBPWKRDP-UNOMPAQXSA-N 440.546 3.609 10 40 IHCB Cc1cc(C(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(C)n1-c1ccccc1 3341885 FAKOCQXLBCAVPM-UHFFFAOYSA-N 441.487 3.790 10 40 IHCB COc1cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc(OC)c1OC 8411251 SXWOPEDJVJBAPZ-CNENFLFXSA-N 442.522 3.636 10 40 IHCB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 9089921 NGPFGGPMLJEECF-MDWZMJQESA-N 442.496 3.997 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 408806399 AQMYEPLADSKICK-RVDMUPIBSA-N 432.274 3.555 10 40 IHCB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 408933844 BPQITUOCGQZAJO-ATVHPVEESA-N 429.270 3.904 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C)C2=O)c(Br)c(Br)c1O 8398637 YUAVVOGEODNZIG-DAXSKMNVSA-N 439.150 3.757 10 40 IHCB CCCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9190810 GSOCTIPCTMEAFK-QFIPXVFZSA-N 444.597 3.761 10 40 IHCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=N)N21 20206959 YOLDUBLGXZKSKT-SRRKIXIOSA-N 442.522 3.594 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)CC1 22363378 MUJIVKGDYVXMGV-SFHVURJKSA-N 447.576 3.705 10 40 IHCB COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1 59198519 HDRROJGFQJWCJJ-XNTDXEJSSA-N 445.294 3.907 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3I)C2=O)c1C 107707392 JYMICURZMALQOO-GXDHUFHOSA-N 446.244 3.574 10 40 IHCB C[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(N2CCCC2)cc1 224392210 MABMXZINFLTHLP-SFHVURJKSA-N 427.570 3.708 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(F)c1 408692389 LLBFXGIZNGZMEW-XDHOZWIPSA-N 438.455 3.818 10 40 IHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 408813622 UUUXVFAHYQQETQ-DEDYPNTBSA-N 432.407 3.777 10 40 IHCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409103148 BBHAWOXWKYDMDG-ZHZULCJRSA-N 437.521 3.507 10 40 IHCB CN1CCN(c2cc(Nc3cccc(F)c3)c3c(c2N)C(=O)c2ccccc2C3=O)CC1 9130407 CJVFLIBSCIEGAI-UHFFFAOYSA-N 430.483 3.679 10 40 IHCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 8821577 WNWCTDQAGANBGR-GDNBJRDFSA-N 433.352 3.924 10 40 IHCB Cc1ccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 33584424 NYVNAGOSTHKPLI-MOSHPQCFSA-N 429.432 3.944 10 40 IHCB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(N)=O 408584547 RDUUSVOGLWLYSI-UHFFFAOYSA-N 428.897 3.779 10 40 IHCB Cc1cc(C)cc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1 408889427 GRQYDSLKMNTYBF-UHFFFAOYSA-N 445.338 3.559 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 409408199 JHLJFCLPWUEBNF-RGPAXGPHSA-N 440.455 3.775 10 40 IHCB Cc1cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccccc1 3333573 OLPSZWKQQSSPLV-UHFFFAOYSA-N 426.494 3.505 10 40 IHCB O=C(O)COc1ccccc1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N=C1O 13535788 PCJZHNIDXRTZDC-ZSOIEALJSA-N 434.326 3.676 10 40 IHCB Cc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1N1CCCC1=O 223853268 NHIHUIUAAOPIFV-GOSISDBHSA-N 441.597 3.837 10 40 IHCB COc1cc(Br)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 409078561 IQMWQWYLGBZESY-URXIRXLPSA-N 444.372 3.847 10 40 IHCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 9188380 WFTANJIHJLSNJM-UWVJOHFNSA-N 445.518 3.843 10 40 IHCB CN(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 13503975 GJUAYSTWJCMVSV-QFIPXVFZSA-N 437.567 3.545 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3CCC(C)C)CC2)cc1 13505352 HTDJVQAAVMIMDM-HSZRJFAPSA-N 438.551 3.779 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O 37342272 CASHYUSWRDDTCR-RIYZIHGNSA-N 433.423 3.623 10 40 IHCB COc1cccc(N2C(=O)/C(=C/c3cc4cc5c(cc4[nH]c3=O)OCO5)SC2=S)c1 51330807 IWURSGWQTACBQJ-WSVATBPTSA-N 438.486 3.671 10 40 IHCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1 59535676 OJPAPGKCYUQAAS-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB COc1ccc(-n2nc3ccc4c(c3n2)[C@H](c2ccc(O)c(O)c2)CC(=O)N4)cc1Cl 96223272 ILQYYCFOHFSBRB-ZDUSSCGKSA-N 436.855 3.968 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O 409334103 TZJMUOSBFUJQHO-MHWRWJLKSA-N 431.495 3.781 10 40 IHCB Cc1cc(/C=C2\C(=N)N3N=C(c4ccncc4)SC3=NC2=O)c(C)n1Cc1ccco1 4649972 JTBZRQAGOLSERP-ODXNEQJUSA-N 430.493 3.809 10 40 IHCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 8821595 GSJZTTXJKPJHSM-GQVHDAKQSA-N 425.528 3.557 10 40 IHCB COc1ccc2ccc(O)c(CN3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2c1 9781926 ZJNYRKCLKSSTQV-UHFFFAOYSA-N 440.565 3.759 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1OC 35648471 LQNBCIXVMOBXEJ-RQZCQDPDSA-N 431.491 3.904 10 40 IHCB CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Cl 225777019 COPAATAJBWFHLI-UHFFFAOYSA-N 447.004 3.755 10 40 IHCB Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408537484 VRGSRFISOKOUHA-SNMRHYRVSA-N 444.487 3.865 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)SC2=S)cc1Cl 409216481 LRVMGLSKAVFARO-PXNMLYILSA-N 434.926 3.619 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)cc1 4047883 UVYBUVXTOVILPS-FYJGNVAPSA-N 443.459 3.767 10 40 IHCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)cc3C)C2=O)c1 408537154 ZIKPVPZSTIBAOL-XNTDXEJSSA-N 428.286 3.953 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1Cl 4330800 WDDKCPJQIKMDII-OAQYLSRUSA-N 428.964 3.606 10 40 IHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)c1 4468366 ZCVYTPPVONWIIH-LPYMAVHISA-N 444.491 3.640 10 40 IHCB CCc1c(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cnc2ncnn12 43774619 YEOTXQFLCBQZRK-BYYHNAKLSA-N 429.440 3.898 10 40 IHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3nc4cc(C)c(C)cc4s3)C2=O)c(C)c1 408532978 NNTXCBMSWZMKGQ-MHWRWJLKSA-N 434.521 4.417 10 40 IHCB Cc1ccc(/N=N\c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@@]3(C5OCCO5)C=C[C@H]4O3)cc2)cc1 409285053 VHJBYPIKUGWDFU-UOXZDIDJSA-N 431.448 3.596 10 40 IHCB COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 20393966 AICSDJFDILYFFN-UHFFFAOYSA-N 448.441 3.940 10 40 IHCB biogenic COc1c(Br)cc(Br)cc1C=C1C(=O)OC2(CCCC2)OC1=O 58865957 NKUUJDKOQBBTSR-UHFFFAOYSA-N 446.091 3.974 10 40 IHCB C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)O 59303188 XAFAZDUOWHJIDA-CEITULEQSA-N 449.246 3.512 10 40 IHCB Cc1cccc(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1C 224293049 FEWPQNKGBQJQAI-UHFFFAOYSA-N 443.613 3.766 10 40 IHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c1C 408692924 YMXSOWMGUXOVOB-DEDYPNTBSA-N 449.507 3.594 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)cc1OC 409211312 MVKYKUNNCHRUMX-JLHYYAGUSA-N 449.257 3.506 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 9253235 GQACZFZKLFRLMN-WQRHYEAKSA-N 443.525 3.850 10 40 IHCB CCC(C)(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 22928774 BDFWWSJFTGVBBY-DEOSSOPVSA-N 447.631 3.791 10 40 IHCB CCOc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N(C)C 24329022 CJMPFQJNDKRCJS-UHFFFAOYSA-N 441.553 3.995 10 40 IHCB Cn1c(=O)c(C(=O)C[C@H](Nc2cccc(N)c2)c2ccccc2O)c(O)c2ccccc21 104827612 PWCLXBPWHBOFQQ-IBGZPJMESA-N 429.476 3.958 10 40 IHCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 225484546 QIMWQXGSQNTJSD-UHFFFAOYSA-N 443.613 3.558 10 40 IHCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2OC)SC1=S 256055602 MSEZNFJJIKQOMY-SQFNAUOLSA-N 442.562 3.983 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c(C)c1 408784909 WMALXGJRHLLPNH-UDWIEESQSA-N 430.533 3.937 10 40 IHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OC 408869452 SEJOSKUYOJGKMG-GDNBJRDFSA-N 428.872 3.976 10 40 IHCB CC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@H]1c1ccccc1O 9262846 CYUUDPSJNIHQPF-QFIPXVFZSA-N 435.505 3.891 10 40 IHCB COc1ccc(N2CCN(C[C@@H](O)COC(c3ccccc3)c3ccccc3)CC2)cc1 9469855 RSQBHLLOPQJJHC-RUZDIDTESA-N 432.564 3.984 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)c2C)cc1F 9478152 DXUZVXZIULQAIH-KRWDZBQOSA-N 429.521 3.682 10 40 IHCB COc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Br 33803393 PKCFBJYHFOUHNG-AYYHGXMZSA-N 442.298 3.520 10 40 IHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)c(O)c(Br)c1 58866224 OFICAGNPSJVSMI-UHFFFAOYSA-N 432.064 3.671 10 40 IHCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br 108056532 VEYKWBFEEKZLSZ-KMHUVPDISA-N 447.285 3.881 10 40 IHCB C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 225570856 PMLDCGDMYGAEKJ-IBGZPJMESA-N 441.597 3.637 10 40 IHCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1 408527456 DNVHLUGJQDHQJN-XNTDXEJSSA-N 444.285 3.653 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)S1 408533466 YUKYCDKBWBILFE-NVMNQCDNSA-N 443.912 3.772 10 40 IHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1OC 408850268 JUCAXSLWCOUSEM-PKNBQFBNSA-N 437.304 3.842 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O 409234619 ODUMWLZOJNKKJD-RIYZIHGNSA-N 436.411 3.641 10 40 IHCB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(N3CCCC3)cc1C)C2 19707320 YTLPYNSBZMMANY-XMMPIXPASA-N 448.615 3.669 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)CC1 218287807 ZSNQXHCNDNDSPY-PMACEKPBSA-N 443.613 3.955 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 409221885 VOIOLPDOSUXBGZ-LDADJPATSA-N 436.924 3.974 10 40 IHCB COc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 32955255 FMVJIJASQCLSJR-NRFANRHFSA-N 427.932 3.917 10 40 IHCB biogenic CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1 104091037 SDZSHIYIHKWCSG-NFFVOIMASA-N 440.510 3.819 10 40 IHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)c1 409192929 GEJQSXBQNGOKHC-IYSPOMMRSA-N 431.448 3.570 10 40 IHCB COc1cc(N(C)C)ccc1/C=C1\NC(=S)N(c2ccc(Br)cc2)C1=O 2153808 PEDGANATGIGHQI-YBEGLDIGSA-N 432.343 3.786 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 33537162 FLSOPGAYSMPJBM-VXLYETTFSA-N 439.537 3.867 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)C(=O)NC1=S 409174026 PZAAUKMNHZJLFO-GXDHUFHOSA-N 430.913 3.967 10 40 IHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 409245669 XHRCSXZUZKEYFR-STZFKDTASA-N 444.491 3.634 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 9435804 LMADXHKGRZXCOQ-ATVHPVEESA-N 449.444 3.695 10 40 IHCB COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)CC2)cc1 9612770 SEJQPBGEQJPQMK-JOCHJYFZSA-N 443.975 3.842 10 40 IHCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18219346 XELSQRYVFXHJRX-FDFHNCONSA-N 437.451 3.690 10 40 IHCB biogenic COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C 112289792 BMCZNEWPXZNTNJ-MOSHPQCFSA-N 426.404 3.694 10 40 IHCB CC(C)n1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21 1101677 RYVBJSCCXDSGNR-WQRHYEAKSA-N 433.489 3.752 10 40 IHCB NC(=O)c1ccc(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 58304485 FFZPTNZVQIHXSV-UHFFFAOYSA-N 425.466 3.733 10 40 IHCB CCOC(=O)[C@@H](C(=O)c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1O 4642503 CODIZTLUWWWEQP-OAQYLSRUSA-N 439.489 3.723 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F 9259361 QFWLYQKXJXWOAB-RIYZIHGNSA-N 448.903 3.713 10 40 IHCB COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3nc4ccccc4s3)CC2)cc1 9635587 VLISOBUOPIKOTN-NRFANRHFSA-N 436.581 3.791 10 40 IHCB Cc1ccc(OCCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)cc1 9805870 WFLZCNBRYNPNSZ-UHFFFAOYSA-N 431.492 3.853 10 40 IHCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(F)c(F)c1 12525864 MRWRUUZNPKTCPK-UHFFFAOYSA-N 430.479 3.628 10 40 IHCB CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)NCc1ccc2c(c1)OCO2 58003640 RNDRIUFCDBONIU-UHFFFAOYSA-N 425.529 3.762 10 40 IHCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 208192676 SMXYVSBQCTZWMQ-YFEUJDIGSA-N 447.491 3.804 10 40 IHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)cc3)C2=O)cc1OC 409127594 DJRNDQRKOVMYNS-CPNJWEJPSA-N 438.480 3.545 10 40 IHCB COc1ccc(N2CCN(CCCNC(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 12553862 CEQWSHYCCHYBEO-UHFFFAOYSA-N 436.383 3.873 10 40 IHCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cc4c(cc3Cl)OCO4)sc2n1 14152377 QLXXJRZDFIOCBQ-UHFFFAOYSA-N 433.873 3.673 10 40 IHCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 33541884 DPHJKGMYQFFFMV-MOSHPQCFSA-N 436.487 3.574 10 40 IHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 41078340 MYPRNEZIRFGJRF-SKHKCXQESA-N 434.408 3.633 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1 408901330 XFINDDNTEPRWEZ-GDNBJRDFSA-N 445.269 3.610 10 40 IHCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(C(N)=O)cc4)C3=O)n2)cc1 12275695 NHSQUGIDKLBUBO-GEJZQBIKSA-N 434.481 3.793 10 40 IHCB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(OC)cc2)cs1 28248788 AAYQCDOZFJIVHF-UHFFFAOYSA-N 447.538 3.977 10 40 IHCB CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)NC1=S 408913584 MFVHORFPDDFFJE-AWNIVKPZSA-N 439.295 3.968 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccncc1 409254191 VUSKMKJTSOCGAD-SFQUDFHCSA-N 436.924 3.974 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)C(O)=NC2=S)cc1 33337369 SHQGFARXYGJOBG-RIYZIHGNSA-N 430.869 3.783 10 40 IHCB CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408872853 KCJKQFKLDBVFKF-RAXLEYEMSA-N 433.233 3.653 10 40 IHCB Cc1c(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 8870217 IMVYXLUFVFFYBV-PDGQHHTCSA-N 435.530 3.703 10 40 IHCB COc1ccc2nc(/C=C3/SC(=S)N([C@H](CCSC)C(=O)O)C3=O)ccc2c1 9423243 CTPGXBJABVXWLA-VGVSSDJJSA-N 434.564 3.651 10 40 IHCB COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1Br 12555675 MIBDLZFARXMAJA-UHFFFAOYSA-N 449.345 3.575 10 40 IHCB COc1ccc(Br)cc1/C=C1/C(=N)N2N=C(c3ccco3)SC2=NC1=O 41076777 ZKEIKAJYOZIQOE-KWJVRTRQSA-N 431.271 3.718 10 40 IHCB COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c1 106763025 RKYNZGZCUKLPJX-NDENLUEZSA-N 439.537 3.761 10 40 IHCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223290251 CIKBXSKVEHNSHA-XZOQPEGZSA-N 435.597 3.723 10 40 IHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223660048 QWFDJUQWDQQLBC-PKTZIBPZSA-N 449.580 3.728 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)c1 409196391 ZWNFRPPWAZTMCX-IYSPOMMRSA-N 447.516 3.735 10 40 IHCB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 20568741 DIMFTUHFTPGNFD-CMBFZQBHSA-N 449.569 3.893 10 40 IHCB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 102025776 DIMFTUHFTPGNFD-BSEKEJRQSA-N 449.569 3.893 10 40 IHCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC 408549756 YJOPRFKASYTXFV-NTUHNPAUSA-N 435.263 3.985 10 40 IHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 409020379 OSJHWFWVSKNXHP-BGARDKSCSA-N 442.493 3.780 10 40 IHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 12564209 AJTQYXSIWHIYCU-UHFFFAOYSA-N 446.551 3.585 10 40 IHCB CN1CCc2cc([C@@H](CNC(=O)Cc3cccc4ccccc34)N3CCOCC3)ccc21 22733488 QWKRRZPOCHWYFQ-AREMUKBSSA-N 429.564 3.564 10 40 IHCB COc1ccc(N2CCN(C(=O)COc3ccc(-c4nc(C(C)C)no4)cc3)CC2)cc1 32578812 CLHXLXCNHLJUQI-UHFFFAOYSA-N 436.512 3.596 10 40 IHCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1 41078432 XFTIIGQRLIHGEG-CAPQHAMJSA-N 447.447 3.763 10 40 IHCB Cn1ccnc1C(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 58108139 QIBPPADZBHHDIE-HXUWFJFHSA-N 434.496 3.570 10 40 IHCB COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 2236500 NMOFCIWDYOVBCX-BKUYFWCQSA-N 433.439 3.908 10 40 IHCB Cc1cc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)ccc1Br 6152410 FDZTWWJZJFJFMM-VIFPVBQESA-N 443.388 3.844 10 40 IHCB CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 8432923 LYZLYEMYBFHYLO-SFQUDFHCSA-N 426.519 3.703 10 40 IHCB COc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c([N+](=O)[O-])c1 8915902 PPPFTKIIWDXUBV-NHDPSOOVSA-N 446.488 3.781 10 40 IHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2C(=O)O)C1=O 16695943 JALBBTBBQBPUNZ-ATVHPVEESA-N 442.518 3.623 10 40 IHCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc(O)c1O 85878653 YZWNQEVBNRWASD-UHFFFAOYSA-N 437.408 3.703 10 40 IHCB biogenic Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)C(=O)NC1=S 211063337 KDXKVNCZGZZYMP-SFQUDFHCSA-N 432.457 3.785 10 40 IHCB CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219113232 CXDDCXAUVXCYTI-JOCHJYFZSA-N 447.576 3.677 10 40 IHCB C[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 260770932 VFQDVCZPAAHOHI-MSYCTHLASA-N 443.613 3.733 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(C)c1 408692159 FTVAVPSYJNHFKB-DEDYPNTBSA-N 434.492 3.987 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br 409242399 UQCBFBWANMMTEA-UKTHLTGXSA-N 431.311 3.597 10 40 IHCB O=C1c2ccccc2C(=O)c2cc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)ccc21 6161574 INZOANIPBSXGPJ-UHFFFAOYSA-N 442.858 3.893 10 40 IHCB COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2)cc1 8495202 OUGCIZVEESVWCN-ZMJNKNPSSA-N 436.493 3.792 10 40 IHCB CCOC(=O)c1c(C)sc(-c2c(-c3cccc(Cl)c3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 12413803 OOOQIMZJFGOCEY-UHFFFAOYSA-N 445.884 3.784 10 40 IHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\NC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1C 16312228 IQEMFRBMRQXFRO-XDHOZWIPSA-N 436.512 3.878 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1OC 35039435 QJZBZSRLZOATQC-LDADJPATSA-N 428.535 3.569 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccccc3Cl)c3nnnn3C(C)C)CC2)cc1 35290638 FWHFMEYJVSUGLV-NRFANRHFSA-N 426.952 3.828 10 40 IHCB CC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1O 61983843 XEISJILIEWUXSU-QFIPXVFZSA-N 435.505 3.891 10 40 IHCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccccc2OCC(=O)O)cc1 102036882 LBZNTFMCYGHFML-RCCKNPSSSA-N 428.444 3.993 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1c(C)ccc2ccccc12 408805488 KQWPFVCHUBFBMD-UHFFFAOYSA-N 430.460 3.875 10 40 IHCB Cc1ccc(OCCCn2cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c3ccccc32)cc1 409149988 XGTHCELUFJOONZ-ZHZULCJRSA-N 433.533 3.675 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1 9373470 WSPVJSBJUKDKEF-UHFFFAOYSA-N 447.520 3.831 10 40 IHCB O=C(C1=CN(c2cccc(Br)c2)c2ccccc2S1(=O)=O)N1CCCC1 49003781 CNIYDLYMMDNBAY-UHFFFAOYSA-N 433.327 3.838 10 40 IHCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)OC)cc1 408769378 SJCGYKUHZLTEML-STZFKDTASA-N 435.476 3.814 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2C)C(=O)NC1=S 409172096 HGILGZHZXMPKHM-NBVRZTHBSA-N 431.517 3.934 10 40 IHCB C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 10254374 MUAVOJMNMGSFCN-INIZCTEOSA-N 439.467 3.987 10 40 IHCB CCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2OC)NC1=S 409089136 HJLCIYMJGTXVMI-WDZFZDKYSA-N 434.153 3.688 10 40 IHCB COc1ccc2c(c1)N(CCCS(=O)(=O)O)/C(=C\c1sc3ccccc3[n+]1C)S2 6177544 WOXXOWZFFAICJQ-UHFFFAOYSA-O 449.599 3.923 10 40 IHCB CC(C)N1C(=O)/C(=C\Nc2ccc(Br)cc2)C(=O)N(Cc2ccco2)C1=O 8431296 YIASLUYGCCUMHI-YBEGLDIGSA-N 432.274 3.737 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1c[nH]c2ccccc12 13573109 SAHHGAKBOAUZBU-YVLHZVERSA-N 427.576 3.790 10 40 IHCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C(=O)N(C)C1=O 59418196 QIQXVDHIGIPARL-UHFFFAOYSA-N 447.260 3.601 10 40 IHCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100758691 OZLMLADODAJPFY-YACHRACLSA-N 435.484 3.633 10 40 IHCB CCOC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccccc3O)=NN12 10214478 GVPHXMSEFHZOQV-IBGZPJMESA-N 437.496 3.893 10 40 IHCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=O)o1 108225198 RPPUFPDOZGNCLQ-WQRHYEAKSA-N 437.427 3.706 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1 408808646 QNERODKCIVPKCI-MHWRWJLKSA-N 444.871 3.812 10 40 IHCB CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c1OCC(=O)O 409200709 IRFDIKHHMWDFHF-BOPFTXTBSA-N 445.518 3.963 10 40 IHCB CCCC[C@@H](CC)COCCCN/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 102412780 RVFWGDGROPPTRP-WKSXIXGESA-N 445.560 3.765 10 40 IHCB CN(c1ccc(Cl)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1)S(C)(=O)=O 222501375 CFTFVGKUKBOVHY-UHFFFAOYSA-N 435.977 3.656 10 40 IHCB O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1 408882343 QUWURTWJDFEWQV-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 8820302 MPJPPNVVVFFJMR-XNTDXEJSSA-N 433.467 3.514 10 40 IHCB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 13576249 ZKYJZWMNAHIRLD-AHDAVJMWSA-N 438.574 3.897 10 40 IHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 96316614 GYDHLGWHEOWFJH-FDFHNCONSA-N 443.499 3.818 10 40 IHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/NCc2ccccc2)SC1=S 256055346 CQCOILIMNVAZMY-SWVCQTRFSA-N 426.563 3.652 10 40 IHCB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccccc1 408536526 RSVKBDXWIRADQL-DQQRTZASSA-N 430.460 3.556 10 40 IHCB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 408916925 IWPRDWJNJCWDNF-ZSOIEALJSA-N 434.876 3.718 10 40 IHCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(=O)N(c2ccccc2)C1=O 409015200 YWYXCJJUBJBXGQ-PGMHBOJBSA-N 444.491 3.514 10 40 IHCB CCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)s1 2700843 JRUNDJJHSYKQCX-KAMYIIQDSA-N 448.595 3.729 10 40 IHCB O=C1/C(=C\c2nc3ccccc3c(=O)n2CCCO)c2ccccc2N1Cc1ccccc1 9210490 IJSDMCARSISIKU-XLNRJJMWSA-N 437.499 3.866 10 40 IHCB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1N1CCCCS1(=O)=O 222572381 BJWBKJAQLRCQEB-UHFFFAOYSA-N 441.597 3.845 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)C1 260770938 VFQDVCZPAAHOHI-PWHSHALESA-N 443.613 3.733 10 40 IHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 408947267 ZZAUATFPOLMNGX-XNTDXEJSSA-N 429.816 3.703 10 40 IHCB N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 41084900 YDTIESKLKVLAKY-MKGVMWAWSA-N 427.511 3.837 10 40 IHCB Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)c(C)c1 408526134 ACCJSDFPRRBQFP-GZTJUZNOSA-N 436.537 3.682 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 409135138 UTTRLXRFEPTOOG-XNTDXEJSSA-N 445.338 3.906 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409234531 LMCBXQIKQLDUCQ-LGMDPLHJSA-N 446.415 3.710 10 40 IHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc3c(c2)OCO3)C1=O 8819322 ZJHPEXQPMMGAMX-ZDLGFXPLSA-N 442.518 3.654 10 40 IHCB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccc(C)cc1 408558476 JETBKNGZWUQKAZ-UHFFFAOYSA-N 440.477 3.785 10 40 IHCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NC1=S 409244984 LPCQSPAENYGCQB-VBKFSLOCSA-N 433.445 3.995 10 40 IHCB CCN(CC)/N=N/c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 18142532 BULABNJKUWLWTB-ZNTNEXAZSA-N 442.545 3.626 10 40 IHCB Cc1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1 20170841 XRIOEGQCFIVNOW-UHFFFAOYSA-N 443.341 3.984 10 40 IHCB biogenic C[C@H]1CN(C2=NC(=O)/C(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)S2)C[C@@H](C)O1 27026655 DAONFJIDIBOAHM-SKRHAUIRSA-N 433.533 3.683 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc([N+](=O)[O-])c1O 32099503 OBQYLWVCTQOYAP-MLPAPPSSSA-N 445.815 3.857 10 40 IHCB Cc1ccc([N+](=O)[O-])cc1-n1cccc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 41076277 CNODLOQNJRYECR-XGRCKQMDSA-N 448.386 3.875 10 40 IHCB CCN(CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1 225733877 JBZSWUQOTRZTQU-UHFFFAOYSA-N 434.631 3.594 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 260511910 SWUSQRDYICUQDV-ROUUACIJSA-N 429.586 3.810 10 40 IHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 408722094 DJGKTLIRUSZFBH-WUXMJOGZSA-N 437.702 3.639 10 40 IHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O 6288778 JSMYELXSSHMOQH-WOJGMQOQSA-N 425.460 3.536 10 40 IHCB C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 10254372 MUAVOJMNMGSFCN-MRXNPFEDSA-N 439.467 3.987 10 40 IHCB CN1CCc2cc([C@H](CNC(=O)c3ccccc3C(F)(F)F)N3CCOCC3)ccc21 22733340 HHTAFKLETFTBRX-NRFANRHFSA-N 433.474 3.501 10 40 IHCB CCOc1c(Br)cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1OC 97990676 BUIFJLIGYGMCFW-XYOKQWHBSA-N 446.344 3.532 10 40 IHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 223695240 BJUPHPHUSGCCLI-FCHUYYIVSA-N 449.580 3.728 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc([N+](=O)[O-])c1O 409037340 NEZLNDDDZOLXNY-FPYGCLRLSA-N 443.284 3.811 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2209164 DHDSBNKKVGECOV-UDWIEESQSA-N 447.422 3.598 10 40 IHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 8820360 SOTYGYAJFJOUEK-GUSDSWBTSA-N 441.490 3.697 10 40 IHCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 9135517 PUJGMNOSYXSTTA-DEOSSOPVSA-N 434.584 3.578 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c1 9355101 WMZMAWHNCJRGFQ-MTJSOVHGSA-N 446.532 3.719 10 40 IHCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1 13532438 ZTYZEMFMKWXLIA-MHWRWJLKSA-N 434.926 3.903 10 40 IHCB COc1ccc(NC2=NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)cc1[N+](=O)[O-] 33437779 VFGCHFKEJSOBBJ-MFOYZWKCSA-N 445.453 3.712 10 40 IHCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408865634 DGJYBTYOEOSVIS-LICLKQGHSA-N 429.270 3.823 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 409023521 GKQATYJVUWCVPP-DHDCSXOGSA-N 429.856 3.940 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(O)c1 1218058 CUAPFCNHLAFJLP-NVNXTCNLSA-N 449.351 3.995 10 40 IHCB CCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 9972443 HJHKXSHNECMLOX-MSZDEVHKSA-N 444.487 3.619 10 40 IHCB CCCCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 23080574 LMRYLKRTYQNZCR-RUZDIDTESA-N 438.616 3.650 10 40 IHCB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102732752 SYPBHEQVTDEXFB-TUNNFDKTSA-N 434.423 3.591 10 40 IHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OCC)C2=O)cc1 408900103 RMVLUTOKRBLYJD-ZHZULCJRSA-N 438.480 3.939 10 40 IHCB COc1cccc(Nc2cc(N3CCOCC3)c(N)c3c2C(=O)c2ccccc2C3=O)c1 8995734 INNKKKCSPXCZDS-UHFFFAOYSA-N 429.476 3.633 10 40 IHCB CC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccccc1O 9262849 CYUUDPSJNIHQPF-JOCHJYFZSA-N 435.505 3.891 10 40 IHCB N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 13939918 RHXOQJJKEHPGRU-HGYZZIEJSA-N 434.355 3.826 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O 33675726 AAAMSOYTMWVGGV-ZHZULCJRSA-N 443.569 3.734 10 40 IHCB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O 409095148 GYCQPNOILMNDLI-RFRKOGIWSA-N 440.521 3.712 10 40 IHCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 13073864 MEQJNPCRLRYMKG-FBKCMUNRSA-N 431.491 3.774 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 225168242 QJSPFDYMJFPEAM-UHFFFAOYSA-N 437.993 3.577 10 40 IHCB Cc1ccc(C)c(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)c1 9293238 DUEVJJVVGWRBSA-ZHZULCJRSA-N 431.561 3.834 10 40 IHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c1C 41108131 FACNGVRSSZQUPT-KURFGLPPSA-N 438.469 3.650 10 40 IHCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(Cl)cc4s3)C2=O)c1 408535370 SLGFTERWDZXNPB-UKTHLTGXSA-N 426.885 4.145 10 40 IHCB N=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(C(F)(F)F)=NN12 41076276 XVRMSRBMIXXDIT-VUMFNOJBSA-N 434.359 3.567 10 40 IHCB CCn1c([C@@H]2CCCN2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21 79019985 AGDXEBPSDPJHTC-DEOSSOPVSA-N 447.583 3.551 10 40 IHCB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)c([N+](=O)[O-])c1 89434984 BPQBSIFXDMEZOJ-UHFFFAOYSA-N 435.845 3.617 10 40 IHCB CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409018724 YQZGQECKNJGUHY-UHFFFAOYSA-N 439.464 3.631 10 40 IHCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S 409232347 OBPCNXXZYPGDAV-ATVHPVEESA-N 433.445 3.995 10 40 IHCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(O)c1 1198431 BYQBLKLIKNFVQQ-BOPFTXTBSA-N 429.929 3.723 10 40 IHCB CCN(CC)CCOc1cccc2c1C(=O)c1cccc(OCCN(CC)CC)c1C2=O 4783304 ZCLYIIJGHJKZQS-UHFFFAOYSA-N 438.568 3.903 10 40 IHCB CCOc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc(Cl)c1O 16688253 CUNDHSIWKTZUJC-MLPAPPSSSA-N 437.677 3.668 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 27530578 ZIOZGJCOKWVRCY-CXUHLZMHSA-N 447.469 3.670 10 40 IHCB CN(C)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 113946280 AFBNPEZTTWBWBD-UHFFFAOYSA-N 429.567 3.569 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409205009 FGAXVTLJWIJGFF-GDNBJRDFSA-N 429.816 3.913 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1OC 409242247 WGFACEIORDQAEI-SFQUDFHCSA-N 440.521 3.667 10 40 IHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409242400 UQLPLHJCXATWHG-OQLLNIDSSA-N 438.783 3.570 10 40 IHCB CCCCOC(=O)CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 8757385 ULNKOHTTXYQHMQ-FOWTUZBSSA-N 439.555 3.647 10 40 IHCB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 9753176 CLUZJZDBNRFDJE-SCFJZMLDSA-N 441.597 3.947 10 40 IHCB NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 13838612 QHCYIQPJNOHWRR-NVNXTCNLSA-N 438.452 3.975 10 40 IHCB CC(=O)N(/C=C/C=C/c1oc2ccccc2[n+]1CCCS(=O)(=O)O)c1ccccc1 16139001 LDBUAAMQOTVEFO-UHFFFAOYSA-O 427.502 3.578 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)C1 22326611 RPFKXUZKTUVFRE-RTBURBONSA-N 429.586 3.566 10 40 IHCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 96295542 SIFVCQCQAKWGQN-ZRBLBEILSA-N 431.467 3.943 10 40 IHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC)C2=O)cc1 408816403 RTNVHXDVEBAOJA-SFQUDFHCSA-N 442.855 3.582 10 40 IHCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccccc1F 409343588 HWVARQFPHSGJJO-LDADJPATSA-N 445.497 3.976 10 40 IHCB Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1)S(C)(=O)=O 36109042 GKXMMMDLSYELMJ-ICSRJNTNSA-N 443.613 3.875 10 40 IHCB Cc1cc(C(=O)CN2C(=O)C[C@]3(CCSC3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 72311157 ADMFDRRFLQRSIH-QFIPXVFZSA-N 448.491 3.760 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(Cl)cc4s3)C2=O)c(C)c1 408532232 PZOSDKPAGMKBBM-UKTHLTGXSA-N 426.885 4.145 10 40 IHCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(OCC)c(OC)c3)C2=O)nc1C 8815826 ZNAUKBMEKRWFMH-XNTDXEJSSA-N 429.498 3.842 10 40 IHCB COc1cc(/C=C2\SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc(OC)c1OC 8821895 SBYLBXWRKIDQRP-MFOYZWKCSA-N 428.466 3.801 10 40 IHCB COc1ccc(N2CCN(Cc3nc(-c4cccc(Br)c4)no3)CC2)cc1 58173550 FXHCOHNVXITZAY-UHFFFAOYSA-N 429.318 3.830 10 40 IHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1Cl 112290071 RQHBRVZYBUMRMO-UNOMPAQXSA-N 428.832 3.900 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)cc1 409190835 WRXMWUINEXBIEB-ITRAFESCSA-N 447.516 3.681 10 40 IHCB CC(=O)Oc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 409329156 DDFABCRLKALGMT-MHWRWJLKSA-N 432.910 3.812 10 40 IHCB COCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCCC2 2792950 FNAMSUBVPTVJRK-CVEARBPZSA-N 435.542 3.816 10 40 IHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 17099632 UMAMRECRQJXFCC-DACLVMHWSA-N 435.542 3.791 10 40 IHCB O=C1N=C(O)/C(=C\NCCC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1 102710972 XZRZRLRQIVPOIR-OQKWZONESA-N 432.524 3.886 10 40 IHCB CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 222597940 DQDOTKJCRFNYSP-QFIPXVFZSA-N 441.019 3.620 10 40 IHCB CCN1C(=O)/C(=C\c2cccc(OC)c2OC)C(=O)N(c2ccc(Cl)cc2)C1=S 409010381 CKSJKWWNNZUPQD-FOWTUZBSSA-N 430.913 3.921 10 40 IHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC 409409248 UTRWXHLTIGMRMH-GDNBJRDFSA-N 431.286 3.708 10 40 IHCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 660588 NXSZQBCCGASVDI-QCUKBLKESA-N 440.521 3.712 10 40 IHCB CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl 225777045 NRVAHRLZYRDZSL-UHFFFAOYSA-N 447.004 3.755 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)C1 260455478 VQJAUUOUBLNVQF-ZWKOTPCHSA-N 429.586 3.810 10 40 IHCB COc1ccc2oc(=O)c(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2c1 8397526 MQDDTFXQEQYPAW-UHFFFAOYSA-N 425.396 3.829 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1-c1ccc2c(c1)CCC2 8720645 UYXNCEVJBCYSAZ-VWLOTQADSA-N 431.492 3.826 10 40 IHCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504734 VKWPKXINVUUNHU-QHCPKHFHSA-N 438.551 3.779 10 40 IHCB CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2)cc1 35290858 KUXHARBPCXIEJQ-HXUWFJFHSA-N 437.569 3.907 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc(C)c(C)cc3Br)C2=O)cc1 408536498 WPEGVPSADSWQON-GDNBJRDFSA-N 444.285 3.653 10 40 IHCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408774961 DUBWZCCPAIDCSP-ODLFYWEKSA-N 440.883 3.660 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C(=O)NC1=S 409238308 MRKUCACATQCECT-XMHGGMMESA-N 445.500 3.569 10 40 IHCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(CCOC)C(C)=C3C(=O)OC)c2C)cc1 3623643 STTCGIDDATWTAE-JCMHNJIXSA-N 438.524 3.812 10 40 IHCB COc1cc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)ccc1O 9357636 WOCMIEACAZIIOQ-FPPDEWAKSA-N 426.885 3.916 10 40 IHCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c1O 101047505 TWGRPKZELCYRLM-GIWBLDEGSA-N 430.460 3.760 10 40 IHCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 408846635 RALIPFITWIMNDC-UDWIEESQSA-N 443.459 3.831 10 40 IHCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 409020008 LMDYRVUSUDNART-RQZCQDPDSA-N 449.850 3.834 10 40 IHCB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 979822 VIGXOWKLVBJXMY-MFOYZWKCSA-N 429.454 3.602 10 40 IHCB CCc1nnc(NC(=O)CN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)s1 8820641 KJXNXKRTCWTEAP-FNIWZSMSSA-N 430.580 3.887 10 40 IHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CCc3ccccc32)cc1 10188430 OKRBNJGALFTPQI-XMMPIXPASA-N 446.526 3.750 10 40 IHCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 16428602 VXPKYCFBIQIJOU-LDADJPATSA-N 428.445 3.653 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 33721623 FASPQQZYUNFCAX-LICLKQGHSA-N 444.490 3.548 10 40 IHCB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 16371973 ISQNYXAJJQEDCY-CYBMUJFWSA-N 447.520 3.683 10 40 IHCB CCOc1cc(Cl)c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 19877602 JTDVUWAOPJLTMP-ZSOIEALJSA-N 434.876 3.718 10 40 IHCB CC1CCN(C2=NN3C(=N)/C(=C/c4cccn4Cc4ccccc4)C(=O)N=C3S2)CC1 41084606 APLQAHKDNKACOA-FBIWUZAXSA-N 432.553 3.845 10 40 IHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 138430528 PFRSABFPMWBXNL-KMDXXIMOSA-N 427.504 3.799 10 40 IHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(O)cc1 223269492 YZQPFCBHLUQXDZ-XZOQPEGZSA-N 435.597 3.729 10 40 IHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 223660362 WRUKNIPKCDOPLL-FCHUYYIVSA-N 449.580 3.728 10 40 IHCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 2605257 SYGXNPLPDNIYAW-VIZOYTHASA-N 428.217 3.940 10 40 IHCB COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 9010044 BRTXBVNZXIWBPL-UHFFFAOYSA-N 446.484 3.606 10 40 IHCB CC(C)CCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 22929819 DSNNCGPOXOTQTC-RUZDIDTESA-N 447.631 3.692 10 40 IHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(O)cc1 223269548 YZQPFCBHLUQXDZ-GOTSBHOMSA-N 435.597 3.729 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 12868135 ZUYRBGHWSOJHHD-PXLXIMEGSA-N 434.540 3.955 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 408819093 WQASXKXRLLEDIE-NTUHNPAUSA-N 435.661 3.778 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1O 15658857 LWALQXZGGOUSJB-ZSOIEALJSA-N 434.233 3.812 10 40 IHCB O=C1/C(=C/c2ccccc2C(F)(F)F)SC(=S)N1N1C(=O)[C@H]2CCCC[C@H]2C1=O 3104953 BEVQWIKXPPOJJL-DBDGASDXSA-N 440.468 3.997 10 40 IHCB COc1cccc(Nc2cc(N3CCN(C)CC3)c(N)c3c2C(=O)c2ccccc2C3=O)c1 8995698 QIFNWICPEJHFBM-UHFFFAOYSA-N 442.519 3.548 10 40 IHCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 13575195 GCFIJMXILQJSCW-WIZMWCRPSA-N 439.002 3.695 10 40 IHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223695488 YIYYHSIZDCECNF-DHIUTWEWSA-N 449.580 3.728 10 40 IHCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3Cc3ccccc3)CC2)cc1 8826396 JRTVARPLGJOOJJ-UHFFFAOYSA-N 444.531 3.792 10 40 IHCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 9060409 WJXZMUUVDIDHCK-ULJHMMPZSA-N 430.508 3.848 10 40 IHCB O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccnc1 16770014 CSODQBPDJVOVMB-RIYZIHGNSA-N 434.340 3.684 10 40 IHCB O=C1[C@@H]2[C@@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1 18181086 YBJZLDUSZIIPTM-SLFFLAALSA-N 449.890 3.773 10 40 IHCB Cc1cc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccn1 36831455 USEZELGWFDMZHJ-UHFFFAOYSA-N 430.430 3.668 10 40 IHCB O=C1C[C@@H](c2cccc(O)c2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96115800 VYPGEEBTYHQYIS-AWEZNQCLSA-N 432.384 3.723 10 40 IHCB biogenic COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OC 408934593 BKMNNGAIVHWSJW-OQLLNIDSSA-N 429.270 3.908 10 40 IHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1OC 409235220 YZBXIJSVOKBOQD-GXDHUFHOSA-N 444.871 3.812 10 40 IHCB CCn1c(-c2ccccc2)cnc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9516955 PHZJOKXECFNPOA-IBGZPJMESA-N 447.626 3.620 10 40 IHCB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N(c2ccccc2)C1=O 409013051 SKDXQKLTJWYMSI-PGMHBOJBSA-N 433.439 3.642 10 40 IHCB O=C(O)COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 409045843 IWBKDSOSGSNFQD-UHFFFAOYSA-N 442.427 3.733 10 40 IHCB Cc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)ccc1N1CCCC1 409216480 LRGDKMYIDFOEBQ-UNOMPAQXSA-N 425.510 3.541 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N(CC)CC)cc2OC)C1=O 409229275 MLUXNFRBXXOROR-NBVRZTHBSA-N 437.496 3.607 10 40 IHCB CCc1cccc2c(/C=C3\C(=O)N(C)c4ccccc43)cn(CC(=O)N3CCOCC3)c12 13148171 ICCXMVZOGOOTEH-JCMHNJIXSA-N 429.520 3.580 10 40 IHCB COc1ccc(N2CCN(C(=O)c3ccc(CSc4nc(C)cc(C)n4)o3)CC2)cc1 79482056 GIOMIWOGSAPDBD-UHFFFAOYSA-N 438.553 3.950 10 40 IHCB Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408537486 VRGSRFISOKOUHA-VGSIYDJFSA-N 444.487 3.865 10 40 IHCB Cc1ccccc1OCCCn1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c2ccccc21 409147788 ZETSIFGFPFVFEA-RGEXLXHISA-N 433.533 3.675 10 40 IHCB COc1ccc(N(C)CCC(=O)N2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1 257295607 QZDDKBVZAZBYRO-UHFFFAOYSA-N 446.555 3.856 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)C(=O)NC1=S 9311625 QVCVZSDKDOTMRP-ZHZULCJRSA-N 430.533 3.883 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 218335741 UPVIRNBQYYEBRV-SFHVURJKSA-N 429.586 3.810 10 40 IHCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)NC1=S 409234380 ZRDCRHJKCLYNEY-ATVHPVEESA-N 432.457 3.785 10 40 IHCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc(C)cc1 2121715 KNJCVDSHTBIZKT-LICLKQGHSA-N 443.502 3.509 10 40 IHCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 8683166 VPIIJRBMSUGAMM-ODLFYWEKSA-N 437.492 3.894 10 40 IHCB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)cc1 9255552 WMJDSOFRKMJPEK-UHFFFAOYSA-N 439.855 3.514 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccc4ncccc4c3)c3nnnn3C(C)C)CC2)cc1 13150752 ZRHISPODYFWSAG-XMMPIXPASA-N 443.555 3.722 10 40 IHCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223275446 FXJNIVPKKKKRMN-XZOQPEGZSA-N 434.613 3.727 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)S1 408528281 DHOCBAYMDSQWBR-ZDLGFXPLSA-N 443.912 3.772 10 40 IHCB Cc1c(Br)c(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 408843964 HPJCOWUPFCJIAM-NTUHNPAUSA-N 439.107 3.799 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(Cc2ccccc2F)c1 408866667 HTHUBJPCBXSVSC-KGENOOAVSA-N 446.434 3.797 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(N)=O 9188633 RHGVGSHRBLUOSD-IUXPMGMMSA-N 448.953 3.927 10 40 IHCB COCCCNC(=O)c1c(NS(=O)(=O)c2ccc(C)c(F)c2)sc2c1CCCC2 84183377 HQSVDNKVABXCIY-UHFFFAOYSA-N 440.562 3.642 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1O 4469659 CRWXCEGHHBYREI-WOJGMQOQSA-N 442.518 3.741 10 40 IHCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1 33668580 WTUKLKXITMLWSG-ZHZULCJRSA-N 445.431 3.644 10 40 IHCB O=C1COc2cc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c(Cl)cc2N1 58081471 XIECCAGDRHFVJI-AWEZNQCLSA-N 431.876 3.590 10 40 IHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)C(O)=NC1=S 59087103 YWYOVAMQQHCGKI-OVCLIPMQSA-N 431.901 3.933 10 40 IHCB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc21 225728082 WSKKXWJZJAGPGL-UHFFFAOYSA-N 431.583 3.552 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)N(CC(=O)OC)C2=S)cc1 409051550 ARLGQKUZJPSMNP-JWGURIENSA-N 449.576 3.997 10 40 IHCB CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1 706403 KGUOQMOGTPCDGA-QFIPXVFZSA-N 437.496 3.633 10 40 IHCB Cc1ccnc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c1 8985887 WPZVUAVGZQBABK-UNOMPAQXSA-N 434.496 3.768 10 40 IHCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1CCO 9429772 YNUJJCXWMVNYOL-QXPCZIEASA-N 444.622 3.988 10 40 IHCB CC[C@H](C)Oc1c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cccc1OC 15013705 HLQNMBMTHNTABU-IGWPVBGESA-N 428.485 3.843 10 40 IHCB CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)cc([N+](=O)[O-])c1O 38173293 VYSIIBGQIUAOQE-OQLLNIDSSA-N 441.465 3.933 10 40 IHCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102728802 LXPXVPZNTKCSBO-FUPPJEDESA-N 430.460 3.760 10 40 IHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 205705052 VAYKQCBTXGBLJL-VCHYOVAHSA-N 442.493 3.780 10 40 IHCB COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cccc1OC 408531095 LZTPFHMDTAYDMF-BOPFTXTBSA-N 429.519 3.961 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 408848894 WUFXBQJUOOANOJ-DHZHZOJOSA-N 437.304 3.842 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409392466 MTBLSSINUNEDGA-LICLKQGHSA-N 438.846 3.948 10 40 IHCB CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 3865677 NMJAPQXRTUCZBO-MFOYZWKCSA-N 443.506 3.703 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)c2C)cc1 8861226 PZABUUGPWBRPPV-AREMUKBSSA-N 427.504 3.979 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)c(OC)c3)SC2=S)cc1 9188795 ITUFIYSVKJVSFO-WQRHYEAKSA-N 428.535 3.528 10 40 IHCB CCCCCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)c2ccccc21 27563179 CXIZCCQZEWMMSG-WPCFGXOUSA-N 432.567 3.746 10 40 IHCB COc1ccc(/C=C2\C(=O)N(c3cc(OC)c(Cl)cc3OC)C(=O)N=C2O)c(OC)c1 33417653 NEJMICROVHGTNU-QPEQYQDCSA-N 446.843 3.881 10 40 IHCB O=C(NN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 206913673 GNHQQVFHRFLIHR-RIYZIHGNSA-N 435.870 3.500 10 40 IHCB Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1N(C)S(=O)(=O)c1ccccc1 224496521 VFZBZHVFFBSDRL-UHFFFAOYSA-N 437.565 3.816 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2ccc3cc[nH]c3n2)C1 257300180 RTFRMXNZGJOKPN-LJQANCHMSA-N 448.567 3.893 10 40 IHCB O=C1COc2ccc(C(=O)CSc3nnc(-c4ccco4)c(-c4ccco4)n3)cc2N1 13561473 DBICOBIIFBKYTF-UHFFFAOYSA-N 434.433 3.698 10 40 IHCB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccccc1 408536527 RSVKBDXWIRADQL-INSIFFFDSA-N 430.460 3.556 10 40 IHCB Cc1cc2nc3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n3c2cc1C 3672376 ZAAOVUBZCFVUMT-ZDLGFXPLSA-N 428.355 3.902 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@@H](c1ccccc1Cl)OC21C(=O)c2ccccc2C1=O 169680760 YBJZLDUSZIIPTM-VAMGGRTRSA-N 449.890 3.773 10 40 IHCB COC(=O)CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1 408994057 YEQIOAVTQBBZHI-OAQYLSRUSA-N 438.553 3.572 10 40 IHCB CC(C)N1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2369742 YQJSFBFYMPJHAN-IGIWSDCRSA-N 442.610 3.786 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 9310289 FOUZVZIDMYEFOJ-UHFFFAOYSA-N 435.263 3.721 10 40 IHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1 19634984 WOTJLXONRMHYKV-JCMHNJIXSA-N 441.915 3.721 10 40 IHCB COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4n3C(F)F)CC2)cc1 32850473 BCQNMXSZULNBRD-UHFFFAOYSA-N 432.496 3.881 10 40 IHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)CC 33533110 RZCHEOWFTRTMSZ-FMNVXAMXSA-N 425.441 3.632 10 40 IHCB CN1CCN(c2ccc(CNC(=O)CSCc3ccc(Br)cc3)cc2)CC1 216931683 SJCIIMYTEOVQPM-UHFFFAOYSA-N 448.430 3.751 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1ccccc1Cl 408884259 XMUXETMCQRGQLE-UHFFFAOYSA-N 435.332 3.897 10 40 IHCB CN1CCN(c2cc(Nc3ccc(F)cc3)c3c(c2N)C(=O)c2ccccc2C3=O)CC1 8974461 XGIQRVKKOVSGRD-UHFFFAOYSA-N 430.483 3.679 10 40 IHCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCOc2ccccc2)C1=O 9190103 OPQZEDHKYGVPFG-UNOMPAQXSA-N 431.535 3.993 10 40 IHCB C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccco2)SC1=S 33527026 XFOWIFPNKZDEBO-NCUBORBFSA-N 425.535 3.710 10 40 IHCB COc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)c1 41082692 ODIBNIDKEGVJFE-IYLIDVPDSA-N 433.464 3.993 10 40 IHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1 59139740 BGZMBBBAQSIRIP-UHFFFAOYSA-N 444.940 3.916 10 40 IHCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 205713058 MXQBESGNRLRUIB-RIYZIHGNSA-N 427.320 3.503 10 40 IHCB COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951300 XTQDDQLJMKCACK-QGZVFWFLSA-N 440.617 3.808 10 40 IHCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13008131 MIYIRZUCNWMSFH-XMMPIXPASA-N 434.584 3.578 10 40 IHCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 19647191 SEKLMAZUGOVKOU-JLPGSUDCSA-N 448.498 3.987 10 40 IHCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1nnc(C2CC2)s1 40146000 HQIFDCYLCNEZOF-UHFFFAOYSA-N 427.452 3.593 10 40 IHCB O=C(NN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S)c1ccccc1 40939800 WHBAYWGBNLQSDE-NTEUORMPSA-N 435.324 3.701 10 40 IHCB Cc1ccccc1N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 222560182 QOWHRPJWDSJUDX-UHFFFAOYSA-N 443.613 3.848 10 40 IHCB Cc1ccc2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)oc2c1 9424638 BGWCJDAUCXSUOR-FQEVSTJZSA-N 440.565 3.945 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(Cl)c3)C(=O)NC2=S)cc1 408771993 JMTJBGLVNFCTSZ-LFIBNONCSA-N 430.913 3.969 10 40 IHCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1C 409193307 JANJSICHDGHMOA-DEDYPNTBSA-N 445.500 3.624 10 40 IHCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2c1 13059089 OHQQRFQKKNSGQY-UHFFFAOYSA-N 440.565 3.677 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1O 13547140 LRYZDNGWVXPQBF-QVASGMJFSA-N 430.345 3.544 10 40 IHCB CN1CCc2cc([C@H](CNC(=O)c3ccc(C(F)(F)F)cc3)N3CCOCC3)ccc21 22733301 UOXVNCNGWVODJQ-NRFANRHFSA-N 433.474 3.501 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 27530579 VNUPVFQCXOYKLL-CXUHLZMHSA-N 447.469 3.670 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC)C1=O 408865019 BCVBBZRKSSRHFS-PTNGSMBKSA-N 429.270 3.687 10 40 IHCB Oc1ccccc1CN(C[C@H](O)COc1ccc(Br)cc1)C[C@H]1CCCO1 9493299 QZJLBKZWIMPBMG-AZUAARDMSA-N 436.346 3.576 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C)C2=O)cc1OC 11565616 LXHQOTQTYWGYML-WQRHYEAKSA-N 428.535 3.852 10 40 IHCB Cc1ccccc1N1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 13071738 LUBZSSZBHZFBFX-UHFFFAOYSA-N 439.515 3.531 10 40 IHCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCCC(=O)N1CCCC[C@H]1CCO 13575646 YNUJJCXWMVNYOL-QPZRJEOCSA-N 444.622 3.988 10 40 IHCB O=c1c(Oc2ccccc2Br)coc2c(CN3CCOCC3)c(O)ccc12 19790362 MVCQHSVFKJTIHG-UHFFFAOYSA-N 432.270 3.886 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2oc(=O)ccc2c1 33542165 WXDLMWHLDXXRIU-LFIBNONCSA-N 426.475 3.616 10 40 IHCB CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219098962 XAJYHVKZPWOMHR-QHCPKHFHSA-N 443.613 3.846 10 40 IHCB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 6144441 NQUPGJZOCGMEGD-SMIHKQSGSA-N 443.503 3.812 10 40 IHCB COc1cccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)c1 1465916 OOBLVHKVIXRKSL-DHDCSXOGSA-N 436.461 3.843 10 40 IHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)c1 6768521 BBYZAOLLVHHGDN-YBEGLDIGSA-N 429.270 3.741 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)c1 408741341 LIAYYPHFCHWJCK-CXUHLZMHSA-N 431.311 3.597 10 40 IHCB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)N(c4cccc(C)c4)N=C3C)cc21 408529032 GUFWAQCNFHRBNR-LGMDPLHJSA-N 448.483 3.778 10 40 IHCB COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2)cc1 41076644 FPRUPVWFKSWCJZ-ZMJNKNPSSA-N 436.493 3.792 10 40 IHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N(C)C)cc1 223579890 MVLSYIAXLLEQAD-XZOQPEGZSA-N 435.597 3.520 10 40 IHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 409012048 IPOIRBSQYPPAEY-OVCLIPMQSA-N 430.913 3.805 10 40 IHCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC 409173455 NMXPUWSSXFKUKE-RGHBXIHOSA-N 440.521 3.712 10 40 IHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409233254 UKGYSKLOQHNRJW-SDNWHVSQSA-N 429.904 3.911 10 40 IHCB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 8843895 WXIFIHGGCKQQJB-GOSISDBHSA-N 445.386 3.947 10 40 IHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 9354911 RVKSNXLGAPKSJD-QGOAFFKASA-N 428.945 3.930 10 40 IHCB O=S(=O)(c1ccc2nsc(/N=N/c3cc(F)c(O)c(F)c3)c2c1)N1CCOCC1 16431368 XUULLKTZOISKMK-QZQOTICOSA-N 440.453 3.716 10 40 IHCB Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)cc1 22327989 YDJUCTVNVFMXJP-WOJBJXKFSA-N 443.613 3.875 10 40 IHCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(N)=O)c(Br)c3)S2)cc1 108924362 FXBMCADGVHTZJX-SXGWCWSVSA-N 446.326 3.704 10 40 IHCB CN(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4163969 KHBYJDFCLQVQFD-JOCHJYFZSA-N 428.598 3.880 10 40 IHCB COc1ccc(N2CCN(C(=O)CS[C@@H]3CCc4ccccc4N=C3O)CC2)cc1 12323395 JHSIYKFUGJEEJX-OAQYLSRUSA-N 425.554 3.680 10 40 IHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 35861221 UMAMRECRQJXFCC-BODMPHMZSA-N 435.542 3.791 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1 33654930 PDQNPOOMOKKDEA-MOSHPQCFSA-N 430.460 3.744 10 40 IHCB CN(C)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003890 BRJCTAHJQXMOSC-UHFFFAOYSA-N 431.945 3.795 10 40 IHCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1ccccc1F 51330812 RVHPPROODZUTMT-IDUWFGFVSA-N 426.450 3.802 10 40 IHCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2Br)c1 408911836 OPOPRIXBMARQGQ-OQLLNIDSSA-N 445.338 3.593 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 1447282 FIKHVWXQDCYKQF-YZYPPFLQSA-N 443.546 3.991 10 40 IHCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 59138946 LQJVHZBNGHISOZ-CPNJWEJPSA-N 430.416 3.962 10 40 IHCB Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 225850093 WDTZGKGPTXCMDT-UHFFFAOYSA-N 443.613 3.766 10 40 IHCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c2C)cc(C)c1Br 409142163 RPPHEJLWMIJAEF-SXGWCWSVSA-N 446.370 3.730 10 40 IHCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)c2C)cc1 3389113 HVLVNGHHSWSGQI-SANMLTNESA-N 443.503 3.679 10 40 IHCB aggregator CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 8400718 ZWBGDSBSNNQZDW-YXHQGMJNSA-N 429.450 3.941 10 40 IHCB CCCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9193016 GSOCTIPCTMEAFK-JOCHJYFZSA-N 444.597 3.761 10 40 IHCB OCCN1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1 19789789 GFRXMINJBHBBBN-OAQYLSRUSA-N 431.458 3.659 10 40 IHCB C#CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 34696598 FRKZCIOZJSYAHM-ZROIWOOFSA-N 431.673 3.576 10 40 IHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl 408805168 JBWZFZMZYRNUBH-LFIBNONCSA-N 442.855 3.582 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)c2C)cc1 8894458 ZJMIHVHEAUGVOC-SANMLTNESA-N 443.503 3.815 10 40 IHCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964195 JDYFVOLWVBDFKT-QFIPXVFZSA-N 440.975 3.533 10 40 IHCB O=S(=O)(Nc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1)c1ccc(F)cc1 23043396 UGCRVRBVZMMHOK-UHFFFAOYSA-N 442.440 3.706 10 40 IHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223694948 IMWDZKJAJOOVOU-GOTSBHOMSA-N 449.580 3.728 10 40 IHCB COc1cccc(OC)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 3397421 FWMFEOIAYLFVDY-UHFFFAOYSA-N 437.448 3.880 10 40 IHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C2=O)c1 9371074 DIKNYWGELXXADR-MTJSOVHGSA-N 430.464 3.554 10 40 IHCB COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](c3ccccc3F)CC4=O)CC2)cc1 10156587 JQKGEHBXCLIHJG-KRWDZBQOSA-N 432.499 3.864 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc(OC)c1O 17146888 TYYAZOHZYNVFNK-QPEQYQDCSA-N 447.241 3.679 10 40 IHCB N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 26593287 RHXOQJJKEHPGRU-MYEDEKDNSA-N 434.355 3.826 10 40 IHCB Cc1nn(-c2ccccc2)c(C)c1/C=C1/C(=N)N2N=C(c3cccnc3)SC2=NC1=O 41074339 IQVPTFYLIDHUDT-OOEDSJJISA-N 427.493 3.552 10 40 IHCB CCN(CC)c1ccc(CN2CCc3c(O)nc(N4CCC[C@H](C)C4)nc3C2)c(OC)c1 72347343 XPKMSUOVMOLGHA-SFHVURJKSA-N 439.604 3.832 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 409228826 FSATYCWKLGSODN-XSFVSMFZSA-N 433.508 3.969 10 40 IHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1O 409348097 RBBSDDBBQHEBCU-GHXNOFRVSA-N 426.928 3.662 10 40 IHCB CCOC(=O)c1ccc(NC2=NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)S2)cc1 778741 GXBNJOXMCPXKJA-HKWRFOASSA-N 437.521 3.782 10 40 IHCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc([C@H](C)CC)cc3)nnc2n1 3221444 PIGTWKJUJUVDSS-CYBMUJFWSA-N 428.566 3.627 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1 9355054 YILSLLRZHBFLIY-BKUYFWCQSA-N 446.532 3.719 10 40 IHCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 16050834 VQSSEYFAQOQBTQ-KRWDZBQOSA-N 425.506 3.926 10 40 IHCB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 16838296 HKSKDFOKRSCBHC-QFIPXVFZSA-N 443.975 3.534 10 40 IHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)cc1 33581831 SDAGWQWTTPUAGT-XMHGGMMESA-N 439.562 3.842 10 40 IHCB CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 222597882 DQDOTKJCRFNYSP-JOCHJYFZSA-N 441.019 3.620 10 40 IHCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(Cl)cc1 3652549 BQJOJCMPXWVEDD-PDGQHHTCSA-N 442.878 3.611 10 40 IHCB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964208 XZPWBLLCQNDOLW-XMMPIXPASA-N 434.584 3.694 10 40 IHCB CC(C)[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccco2)SC1=S 33539366 FXIMEMWEGNVUPI-QOBZYLRHSA-N 446.506 3.548 10 40 IHCB COc1cc(/C=C2/SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc(OC)c1OC 35043416 SBYLBXWRKIDQRP-RQZCQDPDSA-N 428.466 3.801 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@H](C)CC)c(OC)c2)C1=O 409243278 ZRTNHDBHHQEUOE-OVGFGYAMSA-N 438.480 3.938 10 40 IHCB COC(=O)CN1C(=O)/C(=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 8873303 HABWNLRXKZQUSC-HNENSFHCSA-N 438.530 3.599 10 40 IHCB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 408962610 ZTKFHNAKQDGIDQ-MOSHPQCFSA-N 438.915 3.780 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Br 409222654 CROSDTMHCUOHPO-NTEUORMPSA-N 445.338 3.906 10 40 IHCB CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 409169764 ZJXNPAPSBDYKJA-YBEGLDIGSA-N 435.265 3.611 10 40 IHCB CCN1CCc2cc(CN3CCO[C@@H](c4cc(CCOc5ccccc5)n(C)n4)C3)ccc21 257249188 JHEZERMEZXNXBL-HHHXNRCGSA-N 446.595 3.998 10 40 IHCB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 10214539 HCXPWQBFCFFNLE-IBGZPJMESA-N 441.915 3.936 10 40 IHCB O=C(Cn1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c2ccccc21)Nc1ccccc1 1415631 QIFGKDNVSVIKNS-STZFKDTASA-N 446.532 3.583 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1O 1085316 WVRNVJRZQNNLLN-RIYZIHGNSA-N 445.269 3.528 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Br)c1O 8431981 IODFBRODLWJLAK-VGOFMYFVSA-N 431.242 3.668 10 40 IHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 8819314 DZCRXBDNPYVKLH-ATVHPVEESA-N 442.518 3.623 10 40 IHCB CCN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N(CC)C1=S 9043938 YXBKRSJTBBQSCB-UHFFFAOYSA-N 433.873 3.887 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1 9309910 UOEUIVIUCKWHBI-PGMHBOJBSA-N 445.431 3.514 10 40 IHCB Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 27533474 WYOGLQYYLNYCCY-LDADJPATSA-N 449.575 3.663 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 224592510 IWKOQUJTIDPSIO-MRXNPFEDSA-N 437.993 3.657 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cn4)c3C)C(=O)NC2=S)cc1 409017448 WRRIWJAZJYILGG-UDWIEESQSA-N 446.532 3.637 10 40 IHCB CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 8818984 JZOJWSJRBKTEGZ-FSEGOYHTSA-N 431.491 3.638 10 40 IHCB O=Cc1ccc(/C=C2\SC(=S)N(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 8870215 DTSPOHPDUUVSKH-APSNUPSMSA-N 429.435 3.717 10 40 IHCB CN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N(c2ccccc2)C1=S 9295811 GRRKCAXUECFEFP-QGOAFFKASA-N 432.457 3.818 10 40 IHCB CSc1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1-c1ccc(F)cc1 22696858 KJRFRVWBRUKGCA-UHFFFAOYSA-N 440.544 3.842 10 40 IHCB Cc1cccc(N(CCCC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 219620134 LYJGLXBTBOKWHZ-UHFFFAOYSA-N 443.613 3.848 10 40 IHCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408816882 ZHLPCKSLPUJTGZ-FOWTUZBSSA-N 429.270 3.904 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409232380 OMHUJJPKULGDJB-CPNJWEJPSA-N 444.491 3.863 10 40 IHCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O 409237970 KPQNQRREJQFUAX-RCCKNPSSSA-N 448.523 3.525 10 40 IHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409391103 HDETYKTWELGTRA-XNTDXEJSSA-N 438.783 3.570 10 40 IHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2O)SC1=S 618255036 NVELNQQYHPFUAG-CQUHBBLWSA-N 428.535 3.680 10 40 IHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1[N+](=O)[O-] 8951605 QBZYHHVZZKLHLC-NPDFUIFFSA-N 425.491 3.991 10 40 IHCB O=C(CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)NCCc1c[nH]c2ccccc12 9348126 ZTEMUVMWVFHHPH-YBFXNURJSA-N 439.537 3.867 10 40 IHCB CCOc1c(Br)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Br 9763016 QRSKWWMDHJRLOR-IZZDOVSWSA-N 448.136 3.717 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)cc1 32186367 QROWPEYGIUVPOC-UNOMPAQXSA-N 430.416 3.928 10 40 IHCB CCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33437786 OMCQTKYEZRNCKQ-DTQAZKPQSA-N 428.583 3.542 10 40 IHCB COC(=O)CC1=NN(c2ccc(OC(F)(F)F)cc2)C(=O)/C1=C(/C)NCc1ccccc1 100431622 QZAOCPNJIIUKJI-ZHZULCJRSA-N 447.413 3.915 10 40 IHCB C[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 218262712 NJHRQENFWSVOOE-MSOLQXFVSA-N 447.576 3.705 10 40 IHCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 13573988 GWEWAQGVYLCCIX-UDLNKVAWSA-N 439.002 3.695 10 40 IHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 105965883 BTEAGKSCXUCIST-LDADJPATSA-N 425.872 3.681 10 40 IHCB CN1CC2(CCN(Cc3ccc(N(C)C)cc3)CC2)c2nn(Cc3ccccc3)cc2C1=O 306127162 FQDDXYMTJCSNMK-UHFFFAOYSA-N 443.595 3.617 10 40 IHCB Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1 8439284 JETJFBNEWYCGPQ-UHFFFAOYSA-N 430.485 3.859 10 40 IHCB CCOc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 13504331 NCIRWOJULFWKCQ-QHCPKHFHSA-N 436.560 3.573 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)c3c(F)cccc3Cl)N3CCOCC3)ccc21 16838297 JJQIJUGGSVGQAF-OAQYLSRUSA-N 431.939 3.665 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc2nccnc2c1 54361060 WQGMRFBMCHJMCJ-WQRHYEAKSA-N 438.509 3.999 10 40 IHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 409014346 XKQZYKYPYRCDDA-BGARDKSCSA-N 442.493 3.780 10 40 IHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409130383 HOIGYEGWWTWIOQ-RIYZIHGNSA-N 430.913 3.805 10 40 IHCB CCOc1c(I)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC 409342458 FDVXZGQMFARKEA-XFFZJAGNSA-N 435.308 3.530 10 40 IHCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 8821260 WYOGLQYYLNYCCY-PDGQHHTCSA-N 449.575 3.663 10 40 IHCB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9165205 LQKRDQTVQSJNOI-XMMPIXPASA-N 434.584 3.659 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 13574059 MPKOARQWPBCTPB-MFOYZWKCSA-N 440.477 3.772 10 40 IHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 409250837 YIDVOODMXAMTBB-YBEGLDIGSA-N 438.237 3.771 10 40 IHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4nccs4)c4ccccc34)[C@@H]21 1616044596 GGPKEWLYJIKTGJ-JOCHJYFZSA-N 443.532 3.883 10 40 IHCB Cc1ccc2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 9424637 BGWCJDAUCXSUOR-HXUWFJFHSA-N 440.565 3.945 10 40 IHCB CC(C)OC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 33751465 UJXLGXHBXSBHEX-NVNXTCNLSA-N 449.290 3.785 10 40 IHCB CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219113158 CXDDCXAUVXCYTI-QFIPXVFZSA-N 447.576 3.677 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c(C)c1 408903620 UTFBEGUUOHSFQT-XKZIYDEJSA-N 443.528 3.959 10 40 IHCB COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S 409145075 MFYYLTOETJLGDF-IBGZPJMESA-N 435.542 3.831 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)O 409195409 PSDYENDMAQDBEM-LICLKQGHSA-N 432.523 3.504 10 40 IHCB CCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c1OCC(=O)O 409218483 VNHYRWDTCAMFBP-GZTJUZNOSA-N 445.518 3.963 10 40 IHCB O=C(c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 821812 IGEXLXUBRNEZLP-UHFFFAOYSA-N 436.946 3.772 10 40 IHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OC 1416645 RKYFAWPSZWJZEK-XNTDXEJSSA-N 434.926 3.903 10 40 IHCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 12275228 JKXPSLRGOINWPI-AUWXEVLLSA-N 438.324 3.939 10 40 IHCB COc1ccc([C@H](CNC(=O)c2cc(C)n(-c3ccccc3)c2C)N2CCOCC2)cc1 22444748 RRLRBDBBZKYKMN-VWLOTQADSA-N 433.552 3.906 10 40 IHCB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)c(CN3CCN(C)CC3)c12 22917758 JJIHTANZKRUJHZ-UHFFFAOYSA-N 437.540 3.577 10 40 IHCB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)c1 409016315 GWRLPRGOADQDTQ-YBFXNURJSA-N 434.496 3.768 10 40 IHCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1C 1172774 SDDOFGDPZBILAQ-GDNBJRDFSA-N 431.311 3.597 10 40 IHCB CCCOc1ccccc1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O 2069192 VFXAKSVLWISALV-FOWTUZBSSA-N 448.260 3.541 10 40 IHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 408967965 WDBGYWXOFZBHRJ-SDNWHVSQSA-N 433.892 3.894 10 40 IHCB COc1cc2c(cc1OC)[C@@H](C[S@](C)=O)Cc1cc(OC)c(OC)cc1N(C)CCC2 5389554 GOUIEKVBVCPHCS-WTPASJBYSA-N 447.597 3.808 10 40 IHCB O=C1[C@H]2[C@@H](c3ccc(O)c(O)c3)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc(Cl)c1 102758776 QHXZPCUSIUFKAP-PWRODBHTSA-N 436.851 3.802 10 40 IHCB Cc1cc(C)c(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c([N+](=O)[O-])c1 408526277 APBZQCPWTLNZQK-SFQUDFHCSA-N 430.420 3.944 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1 408756763 JIMRQGNBMJQRGV-HYARGMPZSA-N 444.491 3.863 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 408812801 POTZULPSVBDHAI-RVDMUPIBSA-N 448.342 3.720 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(OC)c1 409147749 WCEZHXDWLGXUCU-CPNJWEJPSA-N 437.565 3.990 10 40 IHCB COc1ccc(CCN2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)cc1OC 8821560 LZHIZSNPSZOWDO-PDGQHHTCSA-N 429.519 3.846 10 40 IHCB CCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)SC1=S 9280107 KLHONSCMWFQHRB-SFQUDFHCSA-N 435.548 3.684 10 40 IHCB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(N3CCCC3)cc1C)C2 19707319 YTLPYNSBZMMANY-DEOSSOPVSA-N 448.615 3.669 10 40 IHCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408802757 GZSRVOCJQDWYJR-MHWRWJLKSA-N 429.816 3.703 10 40 IHCB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1 10113648 NQKQCKBGIMCBJS-UHFFFAOYSA-N 441.597 3.700 10 40 IHCB COc1ccc(N2CCN(C(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)CC2)cc1 27981149 ALJGLPIYPPNRQI-UHFFFAOYSA-N 428.920 3.766 10 40 IHCB O=C(COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1 33731553 JUVSRPICDNXDBJ-STZFKDTASA-N 447.878 3.819 10 40 IHCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccccc1Cl 96936840 KSEUEXYRZCCYLD-YVLHZVERSA-N 446.937 3.700 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccccc1 8779829 FIYBXNYGFRTADK-HSZRJFAPSA-N 440.503 3.921 10 40 IHCB CCOc1ccccc1C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 8846227 UPTJUZUYDLDHLV-OAQYLSRUSA-N 444.597 3.761 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1O 409142876 DGCBEAFPPQEPOS-CXUHLZMHSA-N 434.926 3.909 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409237521 UZPOKFMLUFOHPN-XMHGGMMESA-N 444.491 3.863 10 40 IHCB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135714 ISUWZQHOERDYFG-QHCPKHFHSA-N 434.584 3.578 10 40 IHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)c2C)c1 9264940 FLIBSOVBJYFBFA-LICLKQGHSA-N 444.534 3.557 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 9311649 HNOYQLRDICKNSU-XDHOZWIPSA-N 432.501 3.684 10 40 IHCB C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C\c2ccco2)SC1=S 9429782 XFOWIFPNKZDEBO-VBEHJTROSA-N 425.535 3.710 10 40 IHCB O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 32622283 LRSPREVSQXTMBN-ATVHPVEESA-N 436.518 3.610 10 40 IHCB CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(OC)c1O 101549750 TZOIADGBFHNWKS-MHWRWJLKSA-N 425.397 3.594 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)c(C)c1 409149008 VSDBRPAEUDITBY-DEDYPNTBSA-N 430.533 3.937 10 40 IHCB O=C1/C(=C/NC2CCCC2)C(CSc2nnnn2-c2ccccc2)=NN1c1ccccc1 101175943 RNKGAYRYDLTNAP-HMMYKYKNSA-N 445.552 3.573 10 40 IHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1OC(C)C 16575602 QTARTDYWWBHVKC-LFIBNONCSA-N 430.913 3.967 10 40 IHCB CNc1nc([C@@H]2CCCCN2Cc2ccc(N3CCCC3)cc2)nc2c1CCN(C(C)=O)C2 72376564 LPUVZNKRTKFZRZ-DEOSSOPVSA-N 448.615 3.750 10 40 IHCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 408548514 HZVLAMCHGJUAOE-NTUHNPAUSA-N 435.263 3.985 10 40 IHCB CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O 409066437 OSGNBRNZFXJEHZ-GDNBJRDFSA-N 446.912 3.587 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)NC1=S 409168831 UKYSJWWKVMWFAK-QGOAFFKASA-N 446.484 3.989 10 40 IHCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCO2 9985376 QRXVRWNRGFKKNZ-UHFFFAOYSA-N 448.814 3.884 10 40 IHCB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3OC)C2=O)o1 33707799 VEJPNSMHKYRCJI-YBFXNURJSA-N 442.493 3.912 10 40 IHCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccccc1C(=O)O 16160840 JVQDPDLLKWEIHZ-GDNBJRDFSA-N 447.232 3.708 10 40 IHCB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 19818227 HEDGLHKHMYAIGR-NHCUHLMSSA-N 437.496 3.609 10 40 IHCB CCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 13645209 UYFCZDSUPGOAJS-VCOITCSOSA-N 442.610 3.788 10 40 IHCB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 1874720 ULGFNGLTYATNFY-YVLHZVERSA-N 438.490 3.633 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccc(O)cc1 9353132 QFEPUYXUGOEOMN-LGMDPLHJSA-N 432.592 3.794 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409242763 YFCRCEIFCNYWFB-XSFVSMFZSA-N 445.475 3.865 10 40 IHCB COc1cccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1OC 8820683 FRGIVUSSYJCWPH-OQLLNIDSSA-N 445.474 3.506 10 40 IHCB CCOc1cc(Cl)c(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 9933808 PDINILSEEMVMFM-DHDCSXOGSA-N 446.912 3.587 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)O 16915763 DZDKYNHKCLVEBD-CPNJWEJPSA-N 443.546 3.993 10 40 IHCB Cn1ncc2c(N3CCN(Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4O)CC3)ncnc21 23616110 HBJJOGYMEQCGBE-UHFFFAOYSA-N 436.604 3.986 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 408801174 RYLBBRTZUJPNME-PXLXIMEGSA-N 428.444 3.941 10 40 IHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S 409240048 PJJNMHOJWSERPQ-SFQUDFHCSA-N 433.445 3.995 10 40 IHCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 9884786 QOEWSQPJTVMMJI-FUEWVNAISA-N 437.882 3.729 10 40 IHCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(Br)cc34)CC2)cc1 20719268 KBSJUDPALMSJLK-HXUWFJFHSA-N 444.329 3.887 10 40 IHCB Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)[C@H]4CCS(=O)(=O)C4)n3)c2C)cc1 32768452 BWFMTBXRCPAGHQ-INIZCTEOSA-N 429.567 3.899 10 40 IHCB CCCOc1cc(Br)c(/C=C2\SC(NC(C)=O)=NC2=O)cc1OCC 35154636 NWOARVYJGXCWNF-NVNXTCNLSA-N 427.320 3.743 10 40 IHCB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 48353719 XVQGEDNHQQFLAT-UHFFFAOYSA-N 445.972 3.727 10 40 IHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl 408770709 BAIVYIMAYAJYAF-QPEQYQDCSA-N 435.661 3.778 10 40 IHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCC(=O)O)cc1 409031013 GFZJLHFGIWRTJE-IZZDOVSWSA-N 426.297 3.652 10 40 IHCB COc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1237748 OYLSSEAJABIZKT-WQRHYEAKSA-N 442.518 3.654 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC 1244511 QPZBHGHOYPMUPN-PDGQHHTCSA-N 428.535 3.949 10 40 IHCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2c(C)ccc3ccccc23)c1 408874065 ZDNJXYQQSYJCGA-UHFFFAOYSA-N 432.501 3.650 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408911578 OANJSQWQUABFEF-CXUHLZMHSA-N 444.940 3.883 10 40 IHCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(Cl)cc1 408959847 GVZXWSPALKUYKT-ZHZULCJRSA-N 438.915 3.862 10 40 IHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1Br 409123852 FDJQDYOMQGEQMJ-OVCLIPMQSA-N 435.299 3.978 10 40 IHCB CC(C)Nc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 9508523 KCLWDFAQAAEVEO-UHFFFAOYSA-N 438.534 3.865 10 40 IHCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C 223714924 BSIZJOLDWXGCOJ-GOTSBHOMSA-N 449.580 3.810 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 225286728 YWZLNOPOMZKJTQ-IBGZPJMESA-N 431.602 3.621 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 225870251 WFCWROKSSZAYMM-UHFFFAOYSA-N 431.602 3.739 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1cccc(F)c1 11591675 NWUWBIXRILDUFC-RUZDIDTESA-N 447.466 3.646 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)ccn4)c3C)C(=O)NC2=S)cc1 18190245 JAWGZJBPLOWRQZ-MOSHPQCFSA-N 446.532 3.637 10 40 IHCB CCc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22855008 TZFYCADMXJJVKB-LJQANCHMSA-N 439.541 3.572 10 40 IHCB COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 409143516 FOIZQRAFGWBZPV-MHWRWJLKSA-N 446.937 3.981 10 40 IHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9218403 KUSWWBRPWKZITK-UHFFFAOYSA-N 441.597 3.734 10 40 IHCB CCNc1cc(N2CCN(c3ccccc3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 9409497 PXBFPAJFPNUPKH-UHFFFAOYSA-N 426.520 3.803 10 40 IHCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1Cl 13809860 YBAUIRPTPBNZTF-SDQBBNPISA-N 435.219 3.964 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N21 103524045 KTWZKNQVFJGNCP-GXRSIYKFSA-N 436.552 3.828 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409142049 ASHWDRGQBBAVDA-FYJGNVAPSA-N 444.447 3.664 10 40 IHCB COc1cccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1OC 1239283 WEXVYISECLIUJO-YHZJOHHESA-N 429.519 3.601 10 40 IHCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1C 16345904 WEEQMQUUMINOTR-UHFFFAOYSA-N 429.369 3.822 10 40 IHCB CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCC(C)CC1 26118585 DANKXKBENBELOK-UHFFFAOYSA-N 448.566 3.810 10 40 IHCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)cc1 57671610 GDONDXBFZCUYRH-NRFANRHFSA-N 426.590 3.701 10 40 IHCB Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)CN1CSCC1=O 58434173 QPOXOYCHEIONTD-KRWDZBQOSA-N 437.487 3.831 10 40 IHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 223695198 BJUPHPHUSGCCLI-YADHBBJMSA-N 449.580 3.728 10 40 IHCB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1)Nc1ccc(Br)cc1 408760819 ADDMVMHAHFKWCS-DHDCSXOGSA-N 449.351 3.955 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(OCC)c3)C2=O)cc1 408802887 IVOCOYDCRPDZPI-CPNJWEJPSA-N 438.480 3.938 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)cc1 408961627 UDZBOTXUIFDHSW-RCCKNPSSSA-N 435.549 3.825 10 40 IHCB NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409332413 QNDMSCRYLALBEV-NVNXTCNLSA-N 438.452 3.975 10 40 IHCB CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)c1 9126918 PVNTZTAUWMKKIC-IBGZPJMESA-N 439.493 3.738 10 40 IHCB CCOc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1Br 9526232 SQDFZUQAMXIRSL-UHFFFAOYSA-N 435.318 3.945 10 40 IHCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 13711643 XMRLJZRNBPTHQD-YBEGLDIGSA-N 434.926 3.903 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 408766146 PGWZSHSBURAYHF-PDGQHHTCSA-N 449.444 3.695 10 40 IHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2Cl)c(Br)c1 408873608 SYWLHMUWNPURDM-UHFFFAOYSA-N 435.730 3.608 10 40 IHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 4106582 YUFOTZPLTPKRQT-JAIQZWGSSA-N 443.459 3.798 10 40 IHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C)CC3)C2=O)cc1 8819557 MITNKNRQLFPIKS-JXAWBTAJSA-N 446.594 3.713 10 40 IHCB Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2C)no1 9339288 JWYRSULFAOWJOT-JXMROGBWSA-N 434.540 3.899 10 40 IHCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)cc1 13475760 AWAWUILLUYUZGG-BHIFYINESA-N 443.499 3.818 10 40 IHCB CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 101105065 LIPWXGICRCVDJQ-LHHJGKSTSA-N 430.214 3.892 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)C1 224895254 JLTMZLFREYTORH-WOJBJXKFSA-N 443.613 3.562 10 40 IHCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409026440 OXYWWWWIYLADCP-ODLFYWEKSA-N 441.465 3.679 10 40 IHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCCC3)C2=O)cc1 8819562 QQQLMTJOPNPYRO-SDXDJHTJSA-N 446.594 3.857 10 40 IHCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S3)CC2)cc1 9188196 BJCBHDFZTVWVQD-QNGOZBTKSA-N 439.537 3.505 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(Cl)cc3)N3CCCC3)ccc21 9828388 QUEXDZNNCJJODJ-JOCHJYFZSA-N 440.975 3.614 10 40 IHCB COC(=O)c1ccc(OC[C@H](O)CN(Cc2ccccc2O)C2CCCCC2)c(OC)c1 12633155 AVQKDGNGUDLESL-OAQYLSRUSA-N 443.540 3.762 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 33696070 LWHKSYHVXUYEKK-HMAPJEAMSA-N 437.455 3.849 10 40 IHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNc1ccc(I)cc1 408533122 ODBMADDGMBJBNV-BOPFTXTBSA-N 432.265 3.823 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 408884122 WATOVCICEJVWIN-OQLLNIDSSA-N 430.844 3.509 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1OC 8828387 LQNBCIXVMOBXEJ-MFOYZWKCSA-N 431.491 3.904 10 40 IHCB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccccc2O)C1 9060533 YKDXXBFHCNNCMC-GOSISDBHSA-N 441.534 3.817 10 40 IHCB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138383 JZQLVVUTLAKJMC-RUZDIDTESA-N 448.611 3.913 10 40 IHCB CCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 9972446 HJHKXSHNECMLOX-OYSWMMLKSA-N 444.487 3.619 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 33347621 DAVLRJLYBUZYPN-SFQUDFHCSA-N 442.518 3.623 10 40 IHCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2c1 33428313 CETIDIVELLOUJN-LFIBNONCSA-N 438.549 3.672 10 40 IHCB CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccccc1C 409012897 LLKHASCHXFAVFZ-UHFFFAOYSA-N 439.464 3.631 10 40 IHCB CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870199 SKMDNRTXDZVRRV-NSHLXXETSA-N 446.594 3.840 10 40 IHCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1OC 13601330 OVCXFSBCBLFUIP-GDNBJRDFSA-N 434.926 3.903 10 40 IHCB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc(O)c(O)c2)n2c1nc1ccccc12 20675985 FNLKNVSNXBQQAZ-NHCUHLMSSA-N 437.496 3.753 10 40 IHCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)ccc21 409195725 VPDXNZFAISVBNR-VAKHEIKFSA-N 437.839 3.607 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc23)C1=O 409244526 FAFMAYJUKVTQSI-XMHGGMMESA-N 446.459 3.922 10 40 IHCB O=C1/C(=C\c2ccco2)SC(=S)N1CCN1C(=O)/C(=C\c2ccco2)SC1=S 8838248 WGIHPKRSVCOPLZ-UTLPMFLDSA-N 448.572 3.975 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 225286708 YWZLNOPOMZKJTQ-LJQANCHMSA-N 431.602 3.621 10 40 IHCB COc1cc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc(OC)c1OC 20289361 VMLIJKYJAFQYPR-HMMYKYKNSA-N 439.537 3.505 10 40 IHCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1 408806020 DTWUFGZCRWQMBH-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 408934469 AYHRZNPPKQUHOV-KGENOOAVSA-N 442.427 3.630 10 40 IHCB CCOC(=O)c1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc2c1CC[C@H](C)C2 938425 PLCSJGVUVKLDSV-LRDDRELGSA-N 427.526 3.811 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)S1 9763252 XJPZEMJNWVSRSE-RQZCQDPDSA-N 430.869 3.724 10 40 IHCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1cccc(Cl)c1 102758774 QHXZPCUSIUFKAP-NJYVYQBISA-N 436.851 3.802 10 40 IHCB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 103067433 JUPPABNEHAXHOT-YYNYXNMOSA-N 448.479 3.759 10 40 IHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 222725481 BERKBRNSQJOYHU-RPWUZVMVSA-N 447.608 3.928 10 40 IHCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9138108 OODVGRIWABKVFG-RUZDIDTESA-N 448.611 3.968 10 40 IHCB COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(C(C)=O)CC2)ccc1O 10214254 UEMOKCZGRHPSMF-IBGZPJMESA-N 441.915 3.936 10 40 IHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 16311356 YUFOTZPLTPKRQT-RGVLZGJSSA-N 443.459 3.798 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)ccc1OCC(=O)O 16688971 ZUHRVYAWPXDFBD-YVLHZVERSA-N 438.436 3.672 10 40 IHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccccc1Cl 19637168 AKVMFRONKPBKJV-MOSHPQCFSA-N 442.859 3.578 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 408785696 YGQYWBGCFFTOFN-XDHOZWIPSA-N 444.403 3.757 10 40 IHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 980932 SFPWKOFHMCKKTK-GPMKDSKKSA-N 442.493 3.811 10 40 IHCB CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 5584749 GXGCXOZEUOLAIK-QHCPKHFHSA-N 429.586 3.783 10 40 IHCB O=C1/C(=C/c2ccccc2C(F)(F)F)SC(=S)N1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 96190168 BEVQWIKXPPOJJL-QNWYCTJYSA-N 440.468 3.997 10 40 IHCB COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1 33413885 ZPPKKFFFNYMUPD-LDADJPATSA-N 429.519 3.950 10 40 IHCB CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc1 97944363 ALIZLAJBCPUITL-ZHZULCJRSA-N 430.505 3.575 10 40 IHCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 4330804 ZKEUNTPUFKBWDT-NRFANRHFSA-N 428.964 3.606 10 40 IHCB C[C@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 13575573 ZUXZQTWEAGGDBD-RQUCNENLSA-N 439.002 3.693 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1ccc(O)cc1 33544510 BJIWHFMWJHNPMZ-QGOAFFKASA-N 446.981 3.996 10 40 IHCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(N)=O)c12 409138279 ZLMJTWFRJHCMEY-MFOYZWKCSA-N 425.535 3.683 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2782950 KRHLWXCOXRGGLK-LFIBNONCSA-N 436.807 3.965 10 40 IHCB COc1ccc(-c2coc3c(CN4CCN(c5ccccn5)CC4)c(O)ccc3c2=O)cc1 41585966 DNUGJHWFBXFAQV-UHFFFAOYSA-N 443.503 3.891 10 40 IHCB biogenic COc1ccc(Oc2coc3c(CN4CCC[C@H](C(=O)O)C4)c(O)ccc3c2=O)cc1 94993346 SXFAOFKDYGFXKP-AWEZNQCLSA-N 425.437 3.596 10 40 IHCB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S 409015791 BGGWVRRXTXGOTA-LFIBNONCSA-N 430.913 3.921 10 40 IHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)c1 409245265 PZYGNJIPOXKCLN-DEDYPNTBSA-N 430.533 3.937 10 40 IHCB COCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S 6288580 XYUZYLSPCVCCOE-FMIVXFBMSA-N 425.293 3.527 10 40 IHCB N=C1/C(=C/c2cccn2CCOc2ccccc2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084745 WZXPAFZOTFPEQA-GQZAOGGHSA-N 448.552 3.630 10 40 IHCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C 409228619 BPSDTRLYLSJEID-KGENOOAVSA-N 429.476 3.974 10 40 IHCB CCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 1297521 BPOLABXTSUIDDC-VBKFSLOCSA-N 428.583 3.604 10 40 IHCB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9460820 CMZDPCIZPQIOKM-XJKKKVNGSA-N 447.520 3.968 10 40 IHCB COc1ccc(N2CCN(C(=O)C3CCN(Cc4cccc(Cl)c4)CC3)CC2)cc1 39768208 QGKCCGMHYDZWNJ-UHFFFAOYSA-N 427.976 3.909 10 40 IHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(Br)ccc1OC 59435765 RSCWMLCSEJGIQW-YBEGLDIGSA-N 432.270 3.924 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408741740 RUOFQZFLHRRYGB-PXLXIMEGSA-N 444.560 3.991 10 40 IHCB CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12)c1ccc2c(c1)OCO2 2422617 JBAHTOFBDDWQRM-UHFFFAOYSA-N 429.860 3.802 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)cc1 8819243 YGRDTGCDVBRYIG-WJDWOHSUSA-N 430.482 3.754 10 40 IHCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(Br)c1 9311691 QNVOLGHVLMNLGQ-GHXNOFRVSA-N 437.702 3.639 10 40 IHCB O=C1CCCN1CCCNCc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12 13608920 HMVFFNYLQALMML-UHFFFAOYSA-N 426.900 3.921 10 40 IHCB CC(C)n1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21 15228986 RYVBJSCCXDSGNR-WOJGMQOQSA-N 433.489 3.752 10 40 IHCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100928907 YGRSVIBUWOLDRY-BHIFYINESA-N 437.451 3.690 10 40 IHCB COc1cc(N2CCOCC2)c(OC)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222596239 LOGGNXOYPXWLDM-ARBPTSGCSA-N 440.569 3.525 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224773122 DDPMSOUMWLJGTE-LJQANCHMSA-N 431.602 3.621 10 40 IHCB COC(=O)COc1c(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cccc1OC 408528573 GOUKDVDUEZVYTD-YBEGLDIGSA-N 433.482 3.792 10 40 IHCB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC=C2C(=O)NC(=O)NC2=O)cc1 8824656 AJVIKMNVHHFZTQ-UHFFFAOYSA-N 435.358 3.558 10 40 IHCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1CCO 13575623 SETBPHNQWVZDRQ-OLCHLOJWSA-N 436.574 3.571 10 40 IHCB COc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260769332 LOGGNXOYPXWLDM-UJUVCNOISA-N 440.569 3.525 10 40 IHCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 409089656 ONAURJQQAGCNBG-CPNJWEJPSA-N 425.510 3.826 10 40 IHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O 35104036 KCDYPXJVOREWMM-WQLSENKSSA-N 437.677 3.668 10 40 IHCB CCN1C(=O)/C(=C\c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)c2ccccc21 96234502 SEUJVOYLLUZFFO-MAGMUUGSSA-N 429.520 3.844 10 40 IHCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409071401 REPKRLJTUUMOHN-RGVLZGJSSA-N 434.883 3.944 10 40 IHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccccc1C(=O)O 409210510 JFRKHVHIYSAOBL-VCHYOVAHSA-N 442.493 3.780 10 40 IHCB CC(C)N1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 13644013 YQJSFBFYMPJHAN-UAFQZRAQSA-N 442.610 3.786 10 40 IHCB COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 17112905 XJBBGUBDVLVFOW-HSZRJFAPSA-N 442.600 3.571 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 33430099 PNNFNEUVPCHICU-NDENLUEZSA-N 448.450 3.883 10 40 IHCB C[C@@H](C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)N(c1ccccc1)S(C)(=O)=O 218288012 YWCMSIHBFAIVBS-AQNXPRMDSA-N 443.613 3.955 10 40 IHCB CN1C(=O)COc2ccc(C(=O)CSc3nnc(-c4ccco4)c(-c4ccco4)n3)cc21 13568808 LWKWEZDUVCNTQX-UHFFFAOYSA-N 448.460 3.722 10 40 IHCB CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 220284688 QGIKIBQPFIQUDF-IBGZPJMESA-N 443.613 3.710 10 40 IHCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408804041 CISMBSFOIRBFPK-CPNJWEJPSA-N 431.404 3.813 10 40 IHCB COc1ccc(C(=O)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 4052849 VRZUALFDZNDYNG-UHFFFAOYSA-N 425.529 3.682 10 40 IHCB Cc1ccc(COc2cccc(/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)c2)cc1 27533482 NQDIOVSTZDZFEU-LDADJPATSA-N 449.575 3.663 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 34857581 PYJJVCPFVVJYHU-UNOMPAQXSA-N 433.395 3.774 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c(C)c1 408955494 XLHJYVABFBNVMF-RCCKNPSSSA-N 444.560 3.991 10 40 IHCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1OC 1028569 OVCXFSBCBLFUIP-XNTDXEJSSA-N 434.926 3.903 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)COc3ccc(F)cc3)N3CCCCC3)ccc21 9137987 ZSJDLNUNRATIFG-DEOSSOPVSA-N 425.548 3.930 10 40 IHCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 34848963 OAKKTBFCQIKSRO-UYRXBGFRSA-N 447.878 3.819 10 40 IHCB Cc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)o1 96221347 YMFWJLFMOFEHMW-NSHDSACASA-N 436.372 3.625 10 40 IHCB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1C 408849602 XBGXTFWSMKVRFH-XDHOZWIPSA-N 430.416 3.928 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 408876287 NRPQOPNKWUOTJO-UHFFFAOYSA-N 430.913 3.540 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1 664827 RYQPHUOEZZAHEJ-CPNJWEJPSA-N 437.565 3.990 10 40 IHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 9076621 WXUUYLQOKYRHRL-DTQAZKPQSA-N 428.945 3.930 10 40 IHCB COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC 9425759 UJDBHGKEARFKCL-UYRXBGFRSA-N 431.535 3.993 10 40 IHCB O=C(O)c1cc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)ccc1O 12275240 IPFZWKPWHMRFHM-IZZDOVSWSA-N 426.269 3.852 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OS(C)(=O)=O 33436803 UWXBLZKNZNGQTI-WJDWOHSUSA-N 427.569 3.568 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1C 100947696 RFMRPOWLZRCLSV-NTEUORMPSA-N 447.278 3.899 10 40 IHCB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 260723331 XTQDDQLJMKCACK-KRWDZBQOSA-N 440.617 3.808 10 40 IHCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)CC2)cc1 408970101 ARTTWRDCWTZQBJ-UHFFFAOYSA-N 441.959 3.550 10 40 IHCB CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)OC(C)C)cc3)o2)C(=O)N(CC)C1=S 669966 IXRPSVQOWGBZPP-UHFFFAOYSA-N 440.521 3.891 10 40 IHCB Cc1cccc(N2C(=O)/C(=C3/C(=O)N([C@@H](C)C(=O)O)c4ccccc43)SC2=S)c1C 8925872 HRJUQRHIRUATLG-FKEVTRRJSA-N 438.530 3.899 10 40 IHCB C[C@@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 9348076 XJGTUTNVJKYEDJ-POQLDSTKSA-N 430.595 3.596 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3ccccc3)CC2)cc1 13504587 AVPPAMCZJVYGQY-RUZDIDTESA-N 440.551 3.642 10 40 IHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC 13915673 DDZXNNJDBQGYAS-YBEGLDIGSA-N 444.871 3.812 10 40 IHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc(F)cc2)c1 107609715 WKFFWYRKJZYSRO-HMAPJEAMSA-N 431.467 3.932 10 40 IHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br 408528988 GPECXIUQCZAINZ-WQLSENKSSA-N 430.237 3.889 10 40 IHCB COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1OC(C)C 9260301 QTARTDYWWBHVKC-WJDWOHSUSA-N 430.913 3.967 10 40 IHCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2oc(=O)ccc2c1 33544511 XMOATIWFIZIWBZ-OQLLNIDSSA-N 428.516 3.694 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)C1 218287880 YWCMSIHBFAIVBS-VAMGGRTRSA-N 443.613 3.955 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 408893444 APBKRQUMJCFOQK-DHDCSXOGSA-N 430.844 3.509 10 40 IHCB COc1cc(/C=C2\SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc(OC)c1OC 8821894 VKZIGOVQTOSAMD-WQRHYEAKSA-N 427.482 3.753 10 40 IHCB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 9236074 QHCYIQPJNOHWRR-OVCLIPMQSA-N 438.452 3.975 10 40 IHCB Cc1cc(O)c(Sc2ncn[nH]2)cc1NS(=O)(=O)c1ccc(Br)cc1 9289597 IYYVMOKWCLODKH-UHFFFAOYSA-N 441.332 3.533 10 40 IHCB CN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 26771342 ZXPWLQVAAQZWQR-GXDHUFHOSA-N 429.910 3.971 10 40 IHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(C)cc4)ncn3)CC2)cc1 49006784 VXWBXBDQENBNOD-UHFFFAOYSA-N 449.580 3.851 10 40 IHCB Cc1cc(C(=O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(C)n1-c1ccccn1 53517374 BYGQLEKLCWDUDZ-UHFFFAOYSA-N 429.524 3.652 10 40 IHCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 1201635 ZXWDSLASBHPQHF-CPNJWEJPSA-N 432.392 3.901 10 40 IHCB O=C1/C(=C/c2cc(Br)ccc2F)SC(=S)N1CCCN1CCOCC1 14197678 HPTHQUCLHBFSJU-PTNGSMBKSA-N 445.379 3.512 10 40 IHCB O=C(NCc1ccc(N2CCOCC2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 223767456 MQGVHDDYPQVMEH-QJOMJCCJSA-N 447.560 3.672 10 40 IHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(C)c1 408532904 RLPAYZBTSVAUSW-NTEUORMPSA-N 428.832 3.752 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1O 1255201 CRWXCEGHHBYREI-WQRHYEAKSA-N 442.518 3.741 10 40 IHCB C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCN(c2ccccc2)CC1 13038660 VMFRXSYMNBVNOD-GOSISDBHSA-N 439.515 3.611 10 40 IHCB CC(C)N1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 13644009 YQJSFBFYMPJHAN-SBSYXSKNSA-N 442.610 3.786 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 33543000 JQYWZPBARKQBKM-VIZOYTHASA-N 448.909 3.584 10 40 IHCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9138105 OODVGRIWABKVFG-VWLOTQADSA-N 448.611 3.968 10 40 IHCB COc1cccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)c1 11615633 XPBUFKKCYZXOLX-UHFFFAOYSA-N 433.511 3.587 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc2c(c1)OCO2 27530572 NHKCQLDGAMRPSJ-RQZCQDPDSA-N 430.482 3.784 10 40 IHCB COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2cc(OC)c(O)c(O)c2OC)cc1 66088621 CIBOJYQAQQYYAU-CYBMUJFWSA-N 428.466 3.721 10 40 IHCB COc1ccc(-n2c(C)cc(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c2C)cc1 72336806 YUZMYFQLQSTXDU-UHFFFAOYSA-N 441.535 3.806 10 40 IHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])c(O)cc1O 409030514 DRDKKWBBGZHQET-FARCUNLSSA-N 429.257 3.508 10 40 IHCB Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(O)cc4C(=O)O)cc3C2=O)c(C)c1 2198433 KZDXZKBGBFFNGA-UHFFFAOYSA-N 430.416 3.760 10 40 IHCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(O)cc1 106755012 GBJVZJCDZASDCX-MOSHPQCFSA-N 439.537 3.849 10 40 IHCB O=C(COC(=O)c1cccs1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 35073453 QHGFUAGYWPTAOG-UHFFFAOYSA-N 425.849 3.972 10 40 IHCB COC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 408904924 QMBJFAAKPNLTHS-GZTJUZNOSA-N 429.270 3.807 10 40 IHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N(C)Cc2ccccc2)C1=O 8819349 IJRZFZVKEBFRQD-RGEXLXHISA-N 426.563 3.945 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Br)c3)C2=O)cc1 9404592 HLUMNPLHFJLPBU-GDNBJRDFSA-N 445.269 3.523 10 40 IHCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1c1cccc(F)c1 9419123 ZRVPWRXGCNSVHF-QGMBQPNBSA-N 440.477 3.844 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc(OC)c1OC 27530365 WXZHYTMSKMILJW-LZYBPNLTSA-N 447.490 3.522 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 223880179 GXVSQFFVBDFMEK-UHFFFAOYSA-N 435.565 3.535 10 40 IHCB Cc1ccccc1Cc1cccc([C@H]2CN(Cc3ccc(N(C)CCO)cc3)CCO2)n1 257294489 QUKGGBQJEVKTKX-HHHXNRCGSA-N 431.580 3.983 10 40 IHCB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O 409366924 XNNLGNRPOIJSGR-GPILYODUSA-N 441.347 3.893 10 40 IHCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 1198338 HKMBHPJHKJHZMN-BOPFTXTBSA-N 430.913 3.969 10 40 IHCB CCOc1ccc(Br)cc1/C=C1\SC(=S)N([C@@H](C)C(=O)OC)C1=O 1239088 IFKJULXAKVOZLC-LMRAXHDRSA-N 430.345 3.611 10 40 IHCB CCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 1240439 VEYTZQTXENTIMW-SSZFMOIBSA-N 428.583 3.604 10 40 IHCB Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)nc2ccccc21 8869981 DGOQZLQJZMAIDL-XNTDXEJSSA-N 428.926 3.773 10 40 IHCB O=C1N=C(O)/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1c1ccc(F)cc1 59106165 FUFQACHSORNTPE-XGICHPGQSA-N 433.189 3.824 10 40 IHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccccc1Cl 59139604 BMYAYCNPNMEEAX-UHFFFAOYSA-N 444.940 3.916 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)O 94992773 DZDKYNHKCLVEBD-UYRXBGFRSA-N 443.546 3.993 10 40 IHCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccc(OCC(=O)O)cc2)cc1 102041358 MWSZWFBFXBJFSU-PXLXIMEGSA-N 428.444 3.993 10 40 IHCB CN1CCCc2cc(CN3CCO[C@@H](c4cccc(-c5cccc(C(N)=O)c5)n4)C3)ccc21 257309455 UBAAGVDAABAORA-AREMUKBSSA-N 442.563 3.803 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1Br 408802608 ZIZIAFSCFWAOST-NTEUORMPSA-N 429.270 3.741 10 40 IHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 409228592 ZRSDUOYOVHFJMW-NDENLUEZSA-N 428.485 3.907 10 40 IHCB Cc1ccc(/N=N\c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@](C6OCCO6)(O5)[C@@H]4C3=O)cc2)cc1 409285059 VHJBYPIKUGWDFU-UTXXJURHSA-N 431.448 3.596 10 40 IHCB COc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c(OC)c1 1251032 ONIDHPRSLSTMSH-GYXHFJGISA-N 429.519 3.601 10 40 IHCB COCCN1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N(c2ccccc2)C1=O 9323781 XTNXWANELGVLRA-JZJYNLBNSA-N 437.496 3.685 10 40 IHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)C 10060002 FBRHJWLBNNEGNP-OQLLNIDSSA-N 431.286 3.706 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1C 13008121 IMOZUXZWXLFSSN-DEOSSOPVSA-N 434.584 3.578 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 16134860 QMSBVZNHPWSGAW-QPJJXVBHSA-N 428.916 3.620 10 40 IHCB CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)C(=O)N(c2ccccc2)C1=O 59138909 NLINYHIFAQBTKY-SFQUDFHCSA-N 433.376 3.569 10 40 IHCB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O 95483643 LXPXVPZNTKCSBO-XPNTWCBSSA-N 430.460 3.760 10 40 IHCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409000124 MOUQSZRKXMZGGH-XKZIYDEJSA-N 447.466 3.904 10 40 IHCB CCOc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408880704 GWSOIZDUKIDZMF-ZROIWOOFSA-N 433.233 3.653 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1O 409178020 IEIQULVHRNXKMR-GDNBJRDFSA-N 434.926 3.991 10 40 IHCB CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)OCC)c(OC)c2)SC1=S 409339042 RFDOBZNFDFJQRT-NTEUORMPSA-N 429.947 3.902 10 40 IHCB CCN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)SC1=S 2961233 MYMUCCDSHLADFQ-PDGQHHTCSA-N 449.575 3.992 10 40 IHCB COc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 8819361 LSJNGRSGXAOJNQ-WQRHYEAKSA-N 444.534 3.552 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cccc2nonc12 9302779 ZPGPUNWYNZQKIO-WJDWOHSUSA-N 442.497 3.982 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1C 15227546 WEWWSJWVVAJEGN-RCCKNPSSSA-N 444.560 3.991 10 40 IHCB COc1ccc(/C=C2/C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc1Br 16226534 BVMSVNFEUJFVHF-NTUHNPAUSA-N 446.213 3.873 10 40 IHCB COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2C)cc1 25458415 PETLQWJKBISINL-QFIPXVFZSA-N 439.581 3.968 10 40 IHCB O=C1N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 102501930 YJDRGHWJKXLTBJ-ZHZULCJRSA-N 438.915 3.901 10 40 IHCB CN1CCc2cc([C@H](CNS(=O)(=O)c3cc(Cl)ccc3Cl)N(C)C)ccc21 8800522 BGMSKISCGJOSRM-SFHVURJKSA-N 428.385 3.567 10 40 IHCB COc1ccc(CCN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 8821598 PIIKXDAYXPVUCX-PDGQHHTCSA-N 431.535 3.862 10 40 IHCB COc1ccc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1Br 22027695 FYBYWAMHZPDVFE-QPEQYQDCSA-N 441.203 3.938 10 40 IHCB CCc1nc2sc([C@H](c3ccco3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22855006 TZFYCADMXJJVKB-IBGZPJMESA-N 439.541 3.572 10 40 IHCB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2N1C(=O)c1ccccc1 223267893 DPGLFRYKPQYHAG-OAHLLOKOSA-N 436.489 3.808 10 40 IHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N(C)C)cc1 223619457 SEPVHWADLXFPTF-ZEQRLZLVSA-N 449.624 3.910 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OC 409007119 NXVSSLXRUQSSCH-WQLSENKSSA-N 449.335 3.920 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1OC 13804750 VZFQRHYKXZZTMH-PDGQHHTCSA-N 428.535 3.949 10 40 IHCB Cc1ccccc1N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 95470303 GGLJFYXFKKPCRV-FSSWDIPSSA-N 437.451 3.690 10 40 IHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 96193267 BTEAGKSCXUCIST-PDGQHHTCSA-N 425.872 3.681 10 40 IHCB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c1O 101047510 TWGRPKZELCYRLM-XPNTWCBSSA-N 430.460 3.760 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)cc1 981251 ZHTKEUIHBZHLAU-YBEGLDIGSA-N 430.913 3.967 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(C)c1 13008123 TXWPNWIGCKTEOK-XMMPIXPASA-N 434.584 3.578 10 40 IHCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223618652 VXPNSDULWMJNFS-GOTSBHOMSA-N 436.581 3.853 10 40 IHCB CCOc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1O 8821898 GISKOEZFEBYZCX-ZHZULCJRSA-N 427.501 3.723 10 40 IHCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cccc1OC 9260275 RGJFBILKNTWCKY-HNEYUBDGSA-N 428.485 3.843 10 40 IHCB CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC)c1C 44827037 BVEXAWBRMLXWMC-PTNGSMBKSA-N 427.482 3.738 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 103521658 SWLLMWRMWZRRET-YUMYIRISSA-N 448.494 3.839 10 40 IHCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 108043874 BTPJWHCDOUNDGX-XSFVSMFZSA-N 445.431 3.644 10 40 IHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2976349 PDOKWUQBHPRJOB-OQLLNIDSSA-N 440.795 3.553 10 40 IHCB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 32099436 BTVVWZDABQZOMT-JWGURIENSA-N 442.471 3.904 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 408762535 OWKJCGNCNSWMKR-PDGQHHTCSA-N 449.444 3.695 10 40 IHCB COC(=O)Cc1cc2c(n1-c1ccc(I)cc1)CC(C)(C)CC2=O 72221218 CRLZVSIUTAGYSO-UHFFFAOYSA-N 437.277 3.953 10 40 IHCB CN1CCN(c2ccc(/C=C(/Sc3nc4ccccc4o3)C(=O)O)cc2[N+](=O)[O-])CC1 408634073 OPIPGUKEPRIYHR-CPNJWEJPSA-N 440.481 3.706 10 40 IHCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C1=O)OCO2 409099607 RGRRRNMWIAAWOF-XGICHPGQSA-N 449.246 3.787 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)c(C)c1 409190014 UPGOZBSRGSPMPY-GYZOOYGHSA-N 447.516 3.735 10 40 IHCB Cc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2cc(Br)cc(C)c2O)CC1 1560656077 RRWQACGYTWZQIO-KRWDZBQOSA-N 447.373 3.883 10 40 IHCB Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O 22327027 DYBIRVCPASZHRB-FQEVSTJZSA-N 443.613 3.875 10 40 IHCB Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)c1 22327499 PKLISIYYLNKPQQ-FQEVSTJZSA-N 443.613 3.875 10 40 IHCB CCc1cc2c(C)cc(=O)oc2c(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1O 32899865 PXOGUDACMFYYRA-IBGZPJMESA-N 441.549 3.559 10 40 IHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccccc2C#N)c1 33718988 UCUKPWPRMAUIEK-UCQKPKSFSA-N 438.487 3.665 10 40 IHCB COc1cc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(OC)c1OC 112289906 KAMIODXUHWSMOQ-UNOMPAQXSA-N 426.429 3.729 10 40 IHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(OCC)c3)C2=O)cc1 408870741 UMLIVRGAZFYTJD-WOJGMQOQSA-N 442.855 3.582 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 408895196 CWQWDCOAEKRVTE-YBEGLDIGSA-N 444.871 3.812 10 40 IHCB COc1ccc(CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 13058150 NEDYLQUSNBIFTL-UHFFFAOYSA-N 444.487 3.550 10 40 IHCB COc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Br 13777394 PKCFBJYHFOUHNG-XYPMFZOPSA-N 442.298 3.520 10 40 IHCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 33589254 GCFIJMXILQJSCW-XOAFGZPJSA-N 439.002 3.695 10 40 IHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102708048 SIFVCQCQAKWGQN-RJGXRXQPSA-N 431.467 3.943 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1ccccc1F 408880941 KQEZWIAZUCMOCM-UDWIEESQSA-N 446.434 3.797 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O 409140958 HHONITVIUNXSAG-XNTDXEJSSA-N 445.338 3.906 10 40 IHCB Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc2ccccc21 8821937 XUJIIKHMYPTIMC-GZTJUZNOSA-N 438.490 3.633 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38160480 OCXZCRDGFCNDFI-ZSOIEALJSA-N 425.397 3.823 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 107837545 DABHIPAQXBKDLR-MOSHPQCFSA-N 433.395 3.774 10 40 IHCB O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 108067837 CAWADVWQVBLCTN-RUZDIDTESA-N 442.519 3.536 10 40 IHCB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 225423468 WJDXPMODJWKTKX-MSOLQXFVSA-N 429.586 3.664 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 408695298 RIHTZLKEEZPFEJ-LDADJPATSA-N 435.436 3.578 10 40 IHCB CCc1cc2c(=O)c(Oc3cnn(-c4ccccc4)c3)coc2c(CN2CCOCC2)c1O 632987 RENHCCMVSNGIDR-UHFFFAOYSA-N 447.491 3.871 10 40 IHCB CC(C)(C)c1ccc(C(=O)C[C@@H](C(=O)O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1 4117570 XWKFONHKCVPDSY-FQEVSTJZSA-N 438.524 3.561 10 40 IHCB CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008041 XOOHYZFPMDINCR-DEOSSOPVSA-N 434.584 3.523 10 40 IHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 17099631 UMAMRECRQJXFCC-JFTQMJAMSA-N 435.542 3.791 10 40 IHCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 106688549 CTYUXQYHWAQGGF-UYRXBGFRSA-N 425.466 3.668 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408801688 WXVVFQYCLWFEDA-XNTDXEJSSA-N 429.270 3.741 10 40 IHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)cc1 409022564 VITBJTIZLMTKEN-FYJGNVAPSA-N 443.507 3.637 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(O)c1 1255203 LXBSALQKSYWCLZ-ZDLGFXPLSA-N 442.518 3.741 10 40 IHCB CN(C)c1ccc(C=C(C(=O)NCCc2ccccc2)C(=O)NCCc2ccccc2)cc1 3256477 FGFWGPFISNXIGX-UHFFFAOYSA-N 441.575 3.854 10 40 IHCB Cc1cc(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)c(C)n1-c1cccc(F)c1 18380654 XTRHFRVYOMOVEM-UHFFFAOYSA-N 425.485 3.869 10 40 IHCB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccc(F)cc1 33028082 GKNSFAXBOJZCJW-UHFFFAOYSA-N 435.499 3.920 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 33585715 PVVMRBPDGMSQRM-VIZOYTHASA-N 448.909 3.584 10 40 IHCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 408948229 FCOFYJHHAQHBLE-AAWHYMEISA-N 442.855 3.912 10 40 IHCB COCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(C(=O)OC)=C1C 409024888 YSFNRFGNZTVEFY-ZHZULCJRSA-N 437.492 3.593 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)N=C2O)cc1Cl 8767448 ZWJYTTJXBYQGHW-JXMROGBWSA-N 425.622 3.575 10 40 IHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)N2CCc3ccccc32)cc1 10188428 SMJZUPSGZVNCRH-XMMPIXPASA-N 446.526 3.750 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1c[nH]c2ccccc12 13573058 ZQGSUNHVHPAPHL-YBFXNURJSA-N 439.537 3.867 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1 59139507 MJJYTJFRBQDPHS-UHFFFAOYSA-N 430.913 3.526 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 223230557 QBGRRUMLEVBCQO-UHFFFAOYSA-N 445.629 3.913 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)cc1 409193375 JSXCCMYNQQPRDV-ITRAFESCSA-N 431.448 3.516 10 40 IHCB COc1cc(C(C)=O)ccc1OC[C@H](O)CN(Cc1ccco1)Cc1ccccc1O 3342388 CGOJTLQHODCMLN-HXUWFJFHSA-N 425.481 3.639 10 40 IHCB O=C1N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)S/C1=C/C=C/c1ccccc1 12959402 TXTLMKTUZMONAA-RPOCDWGESA-N 433.533 3.760 10 40 IHCB Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(I)cc1 408744427 ZQTIMSBQWMKXQP-UHFFFAOYSA-N 426.323 3.706 10 40 IHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCCCC3)nc12 1474163 DGLATNVCNUAGDY-VBKFSLOCSA-N 428.583 3.603 10 40 IHCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964164 UJPKYZRYAINMCT-JOCHJYFZSA-N 440.975 3.533 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 9282612 KTWZKNQVFJGNCP-CLAROIROSA-N 436.552 3.828 10 40 IHCB CCOc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccc(OC)cc3)C1=O)C(=O)N2 12437256 YLKRTFIRPDQNPS-ZCXUNETKSA-N 426.519 3.818 10 40 IHCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1 31857541 KVYXOKYZPKLMFG-OQKWZONESA-N 449.511 3.517 10 40 IHCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccc2c(c1)OCO2 58866209 FALRFFTVRRYFFN-UHFFFAOYSA-N 438.432 3.757 10 40 IHCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1C 408908462 CPVFWTCWDVVNCD-DEDYPNTBSA-N 443.459 3.767 10 40 IHCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCCc1ccccc1 1281930 MLGAHAMBABAKKU-PDGQHHTCSA-N 429.519 3.603 10 40 IHCB C[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)N1C(=O)/C(=C\c2ccco2)SC1=S 9429881 FXPRVNJCUPRQAD-NNLQFVHNSA-N 443.525 3.849 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 13576005 PCEXNTQBKQJZDF-RQZCQDPDSA-N 445.953 3.974 10 40 IHCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(C(N)=O)cc4)C3=O)n2)cc1 100524997 NHSQUGIDKLBUBO-PZPYUUCDSA-N 434.481 3.793 10 40 IHCB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102732756 SYPBHEQVTDEXFB-KCZVDYSFSA-N 434.423 3.591 10 40 IHCB COc1ccc2cc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c(=O)[nH]c2c1 102757693 QXIASKLOQXHIEW-WSVATBPTSA-N 438.486 3.671 10 40 IHCB COc1ccc(N2CCN(C(=O)CSc3c(F)c(F)c(F)c(F)c3F)CC2)cc1 9439366 AFLQLVUDIKTNSK-UHFFFAOYSA-N 432.414 3.832 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 409243564 SNRGBBIHKNYCOV-NBVRZTHBSA-N 430.464 3.554 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O 409352005 VLHWFJHWDAXQEW-AUWJEWJLSA-N 433.423 3.623 10 40 IHCB CN1C(=O)C(=Cc2ccccc2Oc2ccc(Br)cc2F)C(=O)N(C)C1=O 8762367 POTOGYLVXIXSEY-UHFFFAOYSA-N 433.233 3.814 10 40 IHCB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10214540 HCXPWQBFCFFNLE-LJQANCHMSA-N 441.915 3.936 10 40 IHCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 13575191 GCFIJMXILQJSCW-SUCHYCSPSA-N 439.002 3.695 10 40 IHCB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 208640456 OOLBFBATNSGKCD-AQTBWJFISA-N 427.507 3.837 10 40 IHCB CCCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 408529065 GVPHSTNOMVRYBE-HMMYKYKNSA-N 443.459 3.985 10 40 IHCB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C1=O 4166136 OHZDMHXAYPJNCU-QYZOEREBSA-N 445.313 3.801 10 40 IHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)c1 16269097 ITTNUDIALFRMGE-MHWRWJLKSA-N 442.313 3.798 10 40 IHCB Cc1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])c1 33732729 BIFAVFVJQVRZTM-MOSHPQCFSA-N 429.432 3.944 10 40 IHCB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 71939535 OZCCFVVUIDKPDG-UHFFFAOYSA-N 426.517 3.544 10 40 IHCB C[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 218288058 YWCMSIHBFAIVBS-AABGKKOBSA-N 443.613 3.955 10 40 IHCB COc1cc(Br)c(Br)c(/C=C2\SC(=S)N(C)C2=O)c1O 16188894 DHKDKGWEEHSXOJ-BAQGIRSFSA-N 439.150 3.757 10 40 IHCB O=C1[C@H]2[C@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1 18103098 YBJZLDUSZIIPTM-AABGKKOBSA-N 449.890 3.773 10 40 IHCB CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2)cc1 35290860 KUXHARBPCXIEJQ-FQEVSTJZSA-N 437.569 3.907 10 40 IHCB Cc1ccc(N(CCCC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 219626756 UDPRYJWPBLJXBU-UHFFFAOYSA-N 443.613 3.848 10 40 IHCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223275507 FXJNIVPKKKKRMN-GOTSBHOMSA-N 434.613 3.727 10 40 IHCB CCOC(=O)CCc1c(C)c2ccc(O)c(CNCc3ccc(OC)cc3)c2oc1=O 8739095 UTUBRWZCCOKMAC-UHFFFAOYSA-N 425.481 3.601 10 40 IHCB N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084785 PYKHAWWNADSKQL-WAKLOXMOSA-N 449.492 3.707 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(OC)c3)C2=O)cc1 408882153 LKFZBKXQJXMJQJ-LICLKQGHSA-N 429.270 3.687 10 40 IHCB COc1cc2c(cc1OC)[C@H](C[S@](C)=O)Cc1cc(OC)c(OC)cc1N(C)CCC2 5389553 GOUIEKVBVCPHCS-FZEVHQGJSA-N 447.597 3.808 10 40 IHCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C1\C(=O)Nc2ccc(Br)cc21 8821922 YKTZQEQHYZJNBP-YPKPFQOOSA-N 444.266 3.552 10 40 IHCB COc1cc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc(OC)c1OC 9188346 KUIBWAZYANIYQK-AQTBWJFISA-N 431.535 3.993 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1ccc(O)cc1 9429847 YJFSOUTZZHSGJD-RGEXLXHISA-N 444.553 3.872 10 40 IHCB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 9602780 LQPHUXSBTNRYBY-KRWDZBQOSA-N 431.949 3.888 10 40 IHCB CC(C)[C@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2cccs2)SC1=S 13573807 ZAYGZKPTQRIXQK-MZJNGDHJSA-N 438.640 3.737 10 40 IHCB COc1ccc(CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]2CCCO2)cc1OC 13994140 KGTZTTXYLNMEHF-HSZRJFAPSA-N 426.557 3.722 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 59139524 NDTNEBIOUAEASH-UHFFFAOYSA-N 444.940 3.835 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 9493457 PVHMKDYRXWZIPZ-CPNJWEJPSA-N 443.459 3.767 10 40 IHCB Cc1cc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c(C)n1-c1ccc2c(c1)OCO2 16695031 DSTKWZUCIGPJNZ-UHFFFAOYSA-N 444.443 3.704 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408866063 FMKAFXYBUNXTDA-OVCLIPMQSA-N 435.661 3.778 10 40 IHCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(C(F)(F)F)=NN1c1ccccc1 408971904 LRAKZJQPTDVBCB-LGMDPLHJSA-N 446.385 3.780 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Br)c3)C2=O)cc1 408983211 GFXWCGFZZHQEID-GDNBJRDFSA-N 429.270 3.687 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 33352707 ODMVCNLAZNJRCF-WJDWOHSUSA-N 440.814 3.987 10 40 IHCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 103918661 KKBOILBLMRGGBO-HKWRFOASSA-N 442.545 3.926 10 40 IHCB O=C(c1ccncc1)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 12865817 XXHPDPMSQGHAFF-UHFFFAOYSA-N 426.314 3.661 10 40 IHCB O=C(NCc1cccc(C(F)(F)F)c1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O 65239736 NQAOFHMVUUOWFS-UHFFFAOYSA-N 440.418 3.760 10 40 IHCB O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 8769059 QCILUOBQTYYKPC-PTNGSMBKSA-N 430.258 3.513 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 408810111 LPBONZVXELNGLR-CXUHLZMHSA-N 444.871 3.811 10 40 IHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N(C)C)cc1 223619316 SEPVHWADLXFPTF-DNQXCXABSA-N 449.624 3.910 10 40 IHCB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN5CCOCC5)c4)OCC[C@@]31C2 257327628 XCCVSQDXVWUFRG-SYTWWSQSSA-N 442.600 3.633 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3cc4cc5c(cc4[nH]c3=O)OCO5)SC2=S)cc1 51330809 GRTLVZSPZHZDQQ-LSCVHKIXSA-N 438.486 3.671 10 40 IHCB CCC[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870190 KFEVACHFYBAXMP-QRYCYYKXSA-N 432.567 3.594 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)C1 260455452 RQFGJENRCZVHPB-ROUUACIJSA-N 447.576 3.705 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)C1 260841131 JLTMZLFREYTORH-VQTJNVASSA-N 443.613 3.562 10 40 IHCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408901341 XIGGJTOQFSYWEP-XSFVSMFZSA-N 434.883 3.863 10 40 IHCB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 906916 RERNFNRMPSSPQH-UHFFFAOYSA-N 436.449 3.909 10 40 IHCB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 8685193 JSSAMZSLPDYSDC-UGSOOPFHSA-N 439.895 3.967 10 40 IHCB aggregator CCc1ccc(N2NC(=O)/C(=C/c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 8843025 LATNMCFFYXOVCS-ZHZULCJRSA-N 434.496 3.855 10 40 IHCB CCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 26532112 UYFCZDSUPGOAJS-FNBYNPPRSA-N 442.610 3.788 10 40 IHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408802094 CWRJZUFBBSPBQH-GZTJUZNOSA-N 429.270 3.903 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OC 409080124 LLWKZCOWNDPEFY-KSSSLANASA-N 444.372 3.847 10 40 IHCB CCOc1cc(OCC)c(C[C@@H]2SC(=S)N(CCOC)C2=O)cc1Br 409144311 JPPUCFJDBMBOSR-HNNXBMFYSA-N 448.404 3.664 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Cl)c1OC(C)C 409228636 BVVNKWALJQKRIQ-OVCLIPMQSA-N 429.860 3.587 10 40 IHCB CCOc1cccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 9282569 DUOWRSCNXPEQPN-JOCHJYFZSA-N 444.597 3.761 10 40 IHCB COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccc(OC)cc3)CC2)cc1 13503885 MBAXDTNIHKWSRJ-DEOSSOPVSA-N 448.571 3.717 10 40 IHCB COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)o2)c1 408913023 JQSGGSIIJBHPFQ-XDHOZWIPSA-N 448.406 3.847 10 40 IHCB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 13572415 AJIUFKZAQMWROJ-FDIDITGRSA-N 446.981 3.994 10 40 IHCB COc1ccc(N2CCN(C(=O)c3cc(Cl)c(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 33727795 GBUFPZVCZSFOKB-UHFFFAOYSA-N 440.283 3.881 10 40 IHCB CCn1c2ccccc2c2cc(N/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)N=C3C)ccc21 103516640 RJVDGUIVUNJRCZ-IZQLPPHKSA-N 436.537 3.515 10 40 IHCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 409200101 GTJULVAGTSEAAT-BKUYFWCQSA-N 432.455 3.721 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1-c1ccc2c(c1)CCC2 8720644 UYXNCEVJBCYSAZ-RUZDIDTESA-N 431.492 3.826 10 40 IHCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)cc1 8749102 BENSUKRITBUIIY-PDGQHHTCSA-N 432.457 3.785 10 40 IHCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(Br)c(Cl)c1 408533759 PBDHMFMICOFYLI-SDNWHVSQSA-N 448.704 3.719 10 40 IHCB CCCCOC(=O)CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 6480682 ULNKOHTTXYQHMQ-VBKFSLOCSA-N 439.555 3.647 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCCOCCOc2ccccc2)cc1 9186668 GONGUHMZSFUCMX-CLCOLTQESA-N 444.487 3.622 10 40 IHCB COc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)cc1 15986386 AOLKNRLBWWDPIN-UHFFFAOYSA-N 428.495 3.624 10 40 IHCB COc1ccc(N2CCN(C(=O)Cn3ccc4ccc(Br)cc43)CC2)cc1 20731299 HBOOYMZQULSDNI-UHFFFAOYSA-N 428.330 3.761 10 40 IHCB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 56945952 MARUUGRTLZZPEC-QHCPKHFHSA-N 435.524 3.590 10 40 IHCB COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 108238734 YOXFLVKZVIAGSR-UHFFFAOYSA-N 440.283 3.638 10 40 IHCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223275386 FXJNIVPKKKKRMN-PKTZIBPZSA-N 434.613 3.727 10 40 IHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(OC)c2)SC1=S 256055385 FBCKSQWTGQICCU-OWBBTNHHSA-N 442.562 3.983 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Br 409020407 OYAGDQVOMXIXTQ-OQLLNIDSSA-N 445.338 3.906 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 409234181 MYVWIIBPRFNEEH-KGENOOAVSA-N 433.508 3.969 10 40 IHCB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1cc(Br)ccc1O 1086615 ILWKDYDOSPLXLF-KRWDZBQOSA-N 431.286 3.825 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3C)C2=O)ccc1O 2685593 KAOJZSHGUFXPMD-WOJGMQOQSA-N 428.535 3.954 10 40 IHCB CN(C)c1ccc([C@@H]2N[C@H](c3ccc(N(C)C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 13382240 AZYNBZDCAGSMDT-CIAFKFPVSA-N 441.532 3.521 10 40 IHCB COc1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)c(F)c1 22404309 DSXZNKOQYDOHFP-IBGZPJMESA-N 438.342 3.768 10 40 IHCB C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)O 59303192 XAFAZDUOWHJIDA-WWNSAXIVSA-N 449.246 3.512 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1 8819085 DMMJYMYEIBIFRM-PDGQHHTCSA-N 428.535 3.934 10 40 IHCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1 409142199 SBBLAPKRFDWQET-OVCLIPMQSA-N 449.897 3.808 10 40 IHCB Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 13669326 YPBBRZBMNQNDNU-FQEVSTJZSA-N 443.613 3.765 10 40 IHCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 12363664 NXSZQBCCGASVDI-IIMQCXAKSA-N 440.521 3.712 10 40 IHCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408797602 GSXIRDFBKRUVBT-KGENOOAVSA-N 428.444 3.946 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 409239403 MKXPTSVWWWUEOL-RQZCQDPDSA-N 438.846 3.948 10 40 IHCB NC(=O)c1ccsc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 29072306 DFXJCLALZIJZAJ-OAHLLOKOSA-N 442.566 3.620 10 40 IHCB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 219012518 MRDFZVRGOWGNSA-FQEVSTJZSA-N 443.613 3.729 10 40 IHCB CC1=NC(=S)N(NC(=S)Nc2ccccc2)C(=O)[C@@H]1N=Nc1ccc([N+](=O)[O-])cc1 245239011 DMDXKVWVNFTMHX-OAHLLOKOSA-N 441.498 3.537 10 40 IHCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 8820478 HLIMASGPZFBWRC-WAYKPHQQSA-N 438.574 3.860 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 10432939 QNCNUTRMGOOXRE-UHFFFAOYSA-N 441.528 3.965 10 40 IHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223660554 XDYNOFMLGYJCQN-PKTZIBPZSA-N 449.580 3.728 10 40 IHCB COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O 408548922 NLOSVDYCLIKXHR-HMAPJEAMSA-N 429.476 3.827 10 40 IHCB O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1 408886017 CSVAEWUWQKDISL-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC 408981807 CQKIGJCMDGRJFF-YBEGLDIGSA-N 428.872 3.976 10 40 IHCB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409214739 TYPYPLZHOMHALM-BOPFTXTBSA-N 428.466 3.597 10 40 IHCB Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)c2C)c1 1584437888 WMHOXYDTZRDXTM-SANMLTNESA-N 444.535 3.696 10 40 IHCB CCOC(=O)CCN(C[C@H]1CC=CCC1)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 8672804 BOIFMDVZDHWMDN-INIZCTEOSA-N 449.503 3.989 10 40 IHCB CCCCCOc1ccccc1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 9428007 YIVPXVQEAHDHSK-ZKMNFCBKSA-N 425.597 3.644 10 40 IHCB COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3Cc3ccc(N(C)C)cc3)n2)cc1 15675693 PGGJGXFRHLHJEP-QFIPXVFZSA-N 430.512 3.834 10 40 IHCB biogenic,in-vitro N=C1/C(=C/c2cccn2CCCOc2ccccc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085115 YXYUVJIFVUZKOJ-GQZAOGGHSA-N 448.552 3.630 10 40 IHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1OC 409328324 SEYLXTOFUBKUJP-JYRVWZFOSA-N 440.955 3.965 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1cccc2nonc12 9348530 SRBMJLMYNMEBGT-WJDWOHSUSA-N 442.497 3.982 10 40 IHCB COC(=O)CC1=NN(c2ccc(-c3cccs3)nn2)C(=O)/C1=C(/C)NCc1ccccc1 9526058 AQPQGWJMNSYGBA-JCMHNJIXSA-N 447.520 3.535 10 40 IHCB Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1-c1ccc2c(c1)OCCO2 9779269 QKIAHHYVWAVTMR-UHFFFAOYSA-N 437.477 3.626 10 40 IHCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)c(C)s2)cc1 19796636 FRXHAOSCZOBFSG-GFCCVEGCSA-N 429.523 3.947 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38170617 SGLIJVQQNWTHKU-XFFZJAGNSA-N 431.788 3.859 10 40 IHCB Cc1cc(C(=O)COC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1 89579992 MABPMQOMJFKECY-UHFFFAOYSA-N 432.520 3.966 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 224492364 DRSDPFOLNUCACK-UHFFFAOYSA-N 437.565 3.850 10 40 IHCB c1ccc(-c2noc(-c3cccnc3N3CCN(c4ccc5c(c4)OCO5)CC3)n2)cc1 33004286 ZJIFGYRANQOUDZ-UHFFFAOYSA-N 427.464 3.854 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)c1 408961363 SCJCVEWAAWVWKZ-KGENOOAVSA-N 435.549 3.825 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)cc1C 409193984 JPQWMCLCYFRUGL-UZUMKDMXSA-N 431.448 3.570 10 40 IHCB O=C(O)[C@@H](Cc1ccccc1)NCc1c(O)cc(O)c2c(=O)c(-c3ccc(F)cc3)coc12 2100012 YQNLTBIQEYMXGA-LJQANCHMSA-N 449.434 3.796 10 40 IHCB biogenic Cc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1[N+](=O)[O-] 8974221 NYMGZFXBDHNNOY-UHFFFAOYSA-N 448.478 3.740 10 40 IHCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1 13787811 YIWRFUMVIGXLOU-JIHKLPAASA-N 429.519 3.601 10 40 IHCB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCc1ccc(N2CCCC2)cc1 40154266 FPLFZWAMNAROHV-CYBMUJFWSA-N 436.375 3.546 10 40 IHCB O=c1cc([C@@H]2CCCN(Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2cccnc2)[nH]1 72393124 QGQSBHNRDWZORF-HXUWFJFHSA-N 433.531 3.951 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc34)C(=O)NC2=S)c(OC)c1 409121841 YCURUSJGDXOWSP-AQTBWJFISA-N 448.500 3.697 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 223732727 JSKZIOHWNHHJPP-UHFFFAOYSA-N 439.581 3.623 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)C1 260455477 VQJAUUOUBLNVQF-ROUUACIJSA-N 429.586 3.810 10 40 IHCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1 408775576 ITTYOJNEWJVYSG-ODLFYWEKSA-N 441.867 3.769 10 40 IHCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)N(CCO)c2ccccc2)C1=O 8763471 JVAOEXDDELQTEU-YCJXTATNSA-N 438.574 3.860 10 40 IHCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 8884266 ZPLPKHBWBBBLTM-GULXKOIASA-N 435.454 3.605 10 40 IHCB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 9283706 KUZWYULKDBAPKY-FMIVXFBMSA-N 441.439 3.666 10 40 IHCB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccccc1F 13566413 VUPGHZBHMCGWAX-UHFFFAOYSA-N 444.440 3.616 10 40 IHCB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 13731721 CBWLVBBBDRALLC-RVDMUPIBSA-N 432.523 3.801 10 40 IHCB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 19818229 HEDGLHKHMYAIGR-RTWAWAEBSA-N 437.496 3.609 10 40 IHCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2c1 409245683 XMFDJQOMPAAQTL-CPNJWEJPSA-N 432.501 3.997 10 40 IHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O 981157 PBHGTRGHOYQHND-ADVUTCEVSA-N 427.320 3.503 10 40 IHCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 13075876 ALNOWECHUBAJES-FUEWVNAISA-N 437.882 3.729 10 40 IHCB COc1cc2c(cc1OC)CN(C(=O)CN(C)Cc1ccc(N3CCCCC3)cc1)CC2 15571635 KRMAAWOHTPRROC-UHFFFAOYSA-N 437.584 3.711 10 40 IHCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408534547 VZESKEIMEWRTCH-UVTDQMKNSA-N 430.295 3.902 10 40 IHCB CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)SC1=S 408578188 WPDNJODEMCICGW-UNOMPAQXSA-N 426.563 3.991 10 40 IHCB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 137071041 AQIDDDUZXRVUOJ-UHFFFAOYSA-N 449.937 3.775 10 40 IHCB CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1O 408938073 KIYYXBYSSXGWLC-OQLLNIDSSA-N 429.270 3.995 10 40 IHCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 408948233 FCOFYJHHAQHBLE-AZZDOICSSA-N 442.855 3.912 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)cc1 409385773 IUJCCYPWHNMRDG-KGENOOAVSA-N 430.533 3.883 10 40 IHCB CCOc1ccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 13149061 RPXLRMLTIJVTNV-UHFFFAOYSA-N 429.428 3.656 10 40 IHCB COc1ccc(N2CCN(C(=O)[C@@H]3CCn4c(C(=O)c5ccccc5)ccc43)CC2)cc1 57476766 NNVLBYTWEIVLJJ-JOCHJYFZSA-N 429.520 3.564 10 40 IHCB Cc1ccc(CN2C(=O)N/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1 409207792 AAZJSHSFLFMSLI-HMAPJEAMSA-N 428.492 3.890 10 40 IHCB CCCOc1c(I)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC 409330030 JBWJPLZGUYTWAS-XYOKQWHBSA-N 449.335 3.920 10 40 IHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 8951606 PGDMXURRODQTTC-GUSDSWBTSA-N 425.491 3.991 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)c3ccccc3C(F)(F)F)N3CCOCC3)ccc21 13008317 QTXGIPDWEWVSKO-QFIPXVFZSA-N 447.501 3.891 10 40 IHCB COc1ccc(N2CC(=O)N(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)c(OC)c1 15412795 XQBAACWOKKTCER-VWLOTQADSA-N 445.519 3.891 10 40 IHCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S 98086697 LRASNYRICOGLGK-FMIVXFBMSA-N 425.293 3.527 10 40 IHCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br 108056538 VEYKWBFEEKZLSZ-DGGAMASNSA-N 447.285 3.881 10 40 IHCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC 408809166 QVVQASFRRDUHPH-MHWRWJLKSA-N 444.871 3.900 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)SC2=S)cc1 59514306 FDUWGWFQZUTSNT-VGOFMYFVSA-N 433.423 3.623 10 40 IHCB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 9416483 CVTIGSCAXDQSIC-KRWDZBQOSA-N 431.949 3.888 10 40 IHCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 34877360 FNOYICKQCQKXFA-YBFXNURJSA-N 448.395 3.509 10 40 IHCB CN(C)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49003954 QQFJAYRAMZEFPF-UHFFFAOYSA-N 429.517 3.671 10 40 IHCB CCn1c([C@H]2CCCN2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21 79019989 AGDXEBPSDPJHTC-XMMPIXPASA-N 447.583 3.551 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(OC)c1OC 1296092 LTOGBUNASNVNAI-YBEGLDIGSA-N 431.491 3.816 10 40 IHCB CN1C(=O)C(=Cc2ccccc2OCCOc2ccc(C(C)(C)C)cc2)C(=O)N(C)C1=O 8952151 XTQQLCAHJFLCJU-UHFFFAOYSA-N 436.508 3.876 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c1C 9264467 GNQPCQHGYGUYFN-CPNJWEJPSA-N 445.500 3.624 10 40 IHCB CCN(CC)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 9932440 BOKIJCXXGFBCHO-UHFFFAOYSA-N 443.613 3.980 10 40 IHCB COc1cccc(OCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 13799989 OFKNBQOSENXWLJ-JWGURIENSA-N 430.460 3.614 10 40 IHCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(=O)[nH]c2)c(C)n1-c1ccc(OC(F)F)cc1 40119066 LNKQTOSNIGQAEP-AWEZNQCLSA-N 430.407 3.812 10 40 IHCB COc1ccc(-c2nsc3c2NC(=O)C[C@H]3c2cc(OC)c(O)c(O)c2OC)cc1 66088619 CIBOJYQAQQYYAU-ZDUSSCGKSA-N 428.466 3.721 10 40 IHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 222725606 BERKBRNSQJOYHU-ZEQRLZLVSA-N 447.608 3.928 10 40 IHCB COc1cccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)c1 13895467 WQDUAHNRLAPAOD-XDHOZWIPSA-N 431.535 3.993 10 40 IHCB CN(C)c1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 101128672 GMHYZXHTYPNJHQ-SMIHKQSGSA-N 432.568 3.500 10 40 IHCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1nc(-c2ccccc2)cs1 408537113 ZEMTZMMGJOOMNX-QGOAFFKASA-N 440.484 4.542 10 40 IHCB Cc1cc(C)cc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 9076111 PGIHVPITRBIZCB-JCMHNJIXSA-N 447.466 3.989 10 40 IHCB COc1ccc(N2CCN(CCCNC(=O)COc3cccc4ccccc34)CC2)cc1 9919389 AXAIWDZBWSEZGG-UHFFFAOYSA-N 433.552 3.556 10 40 IHCB CC(C)[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S 33526835 LIERRRUEPGWASO-FSEPTYSPSA-N 430.551 3.570 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3OC)C2=O)cc1 409251804 QHTWCDRKDIKFQV-RCCKNPSSSA-N 433.508 3.914 10 40 IHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C 409347459 PYWZFWAGAHTNMT-WOJGMQOQSA-N 428.535 3.852 10 40 IHCB Cc1cccc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1 41085105 KSMKCCFELBHKLI-VBOUZPDUSA-N 448.552 3.548 10 40 IHCB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4O)C[C@H]2N(C)C3=O)c1 514290276 WZZHFPNXPJLZJT-RDGATRHJSA-N 430.504 3.785 10 40 IHCB biogenic,in-vitro COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1cccc(C(F)(F)F)c1 1395083 WVTMXEJWOFQKBT-UHFFFAOYSA-N 448.397 3.727 10 40 IHCB CC(C)N1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 17044457 YQJSFBFYMPJHAN-PGICLHPDSA-N 442.610 3.786 10 40 IHCB CC(C)CCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 22929817 DSNNCGPOXOTQTC-VWLOTQADSA-N 447.631 3.692 10 40 IHCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)c1 100524522 XFERLAHJCNXKPM-BHIFYINESA-N 443.499 3.818 10 40 IHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 408950140 DPTSAQAREYMQPV-XSFVSMFZSA-N 431.517 3.934 10 40 IHCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cccc1OC 409168694 RODPMQWNIFMQIN-LBFFYKKLSA-N 440.521 3.712 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9432103 UPHSHEUXZXPTTF-JBEBIEQOSA-N 437.496 3.506 10 40 IHCB O=C(CCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)Nc1ccc(C(=O)O)cc1 10434328 WRKXNFDBNBQCSY-TZWKYVIBSA-N 428.491 3.764 10 40 IHCB O=C(COc1cccc(N2CCCC2=O)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 32765136 VMSNCPSIWNHDKA-UHFFFAOYSA-N 440.455 3.606 10 40 IHCB O=C1C[C@@H](c2ccccc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222202 KPTDQKDZBLTDIX-ZDUSSCGKSA-N 432.384 3.723 10 40 IHCB biogenic Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c1C 408791514 ZKUJEMBSLGZRFP-UDWIEESQSA-N 430.533 3.937 10 40 IHCB O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 9233705 NAHJUFDRFWYHOD-REZTVBANSA-N 430.551 3.547 10 40 IHCB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccc(OC)cc2)CC1 13504182 UJHWHSBSCGFCGJ-JOCHJYFZSA-N 438.551 3.878 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 23744347 QCPQMPUWSNHPHC-UHFFFAOYSA-N 443.613 3.978 10 40 IHCB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(Cl)c(Cl)c3)nnc2n1 27028956 GCQNRHIMENNDBT-UHFFFAOYSA-N 426.333 3.665 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)C 96893032 FBRHJWLBNNEGNP-DHDCSXOGSA-N 431.286 3.706 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 225797672 DOCKAXLBYKBDJS-UHFFFAOYSA-N 431.602 3.739 10 40 IHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccco1 408537849 XQYMSUYCGNHAHC-VBKFSLOCSA-N 436.807 3.819 10 40 IHCB CC(C)Nc1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 8691231 LNYPMFJRHPBVMA-UHFFFAOYSA-N 438.534 3.865 10 40 IHCB aggregator O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1C(=O)O 8819241 KKZNINQBAWNHQZ-WJDWOHSUSA-N 430.482 3.754 10 40 IHCB CN(C)c1ccc(/C=c2/sc3nc([C@H]4[C@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 27024319 ONAVNDPXHCQBMD-RZKBWPFVSA-N 435.380 3.823 10 40 IHCB Cc1cc(C(=O)NCc2cccc(C(N)=O)c2)c(C)n1-c1cccc(Br)c1 59849701 ZEJRJMUYOONJDI-UHFFFAOYSA-N 426.314 3.886 10 40 IHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1 104090831 SOYVDBUUZKUJMU-LRVSTDGRSA-N 434.481 3.757 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(Cl)cc1OC 409169743 ZAQSWRJJEVHWOT-UKTHLTGXSA-N 446.912 3.587 10 40 IHCB CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870198 SKMDNRTXDZVRRV-ZZANYTRBSA-N 446.594 3.840 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 9310907 RJIQKWZRXYTUNV-OQLLNIDSSA-N 429.270 3.741 10 40 IHCB Cc1cc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)ccc1Br 6152408 FDZTWWJZJFJFMM-SECBINFHSA-N 443.388 3.844 10 40 IHCB O=C1C[C@@H](c2cccs2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222731 KHWUNENUUPWPCU-JTQLQIEISA-N 438.413 3.785 10 40 IHCB biogenic Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)cc1 409253302 TXQUZUASVICBRF-LPYMAVHISA-N 428.492 3.594 10 40 IHCB COc1ccc(-n2c(C)cc(CN3CCc4c(nc(-c5ccncc5)[nH]c4=O)C3)c2C)cc1 12222961 RCSOIODHDFLUKD-UHFFFAOYSA-N 441.535 3.806 10 40 IHCB COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)CCO)cc1)N[C@@H](c1cccnc1OC)C2 19586144 MHRLHFTWXONLIG-RCZVLFRGSA-N 449.551 3.512 10 40 IHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3c(F)cccc3F)c3ccco3)CC2)cc1 56946051 UYHQLQCKVLAWKR-NRFANRHFSA-N 441.478 3.860 10 40 IHCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@H](C)C(=O)NCCCc2c[nH]nc2C)c1 95397409 XODBRFGDYHISBB-KRWDZBQOSA-N 435.572 3.549 10 40 IHCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)NCc3ccco3)c12 409134383 OBTKHTCSWOURHL-ZDLGFXPLSA-N 439.562 3.944 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 409234093 LUIDZOZABWPIPP-OVCLIPMQSA-N 436.411 3.554 10 40 IHCB O=C(NN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S)c1cccs1 409326573 CGGOSCJNWWHSJY-GHXNOFRVSA-N 425.900 3.856 10 40 IHCB COc1ccc2cc(/C=C3/SC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c(=O)[nH]c2c1 13725401 RSBBENFQQSMOQH-RQZCQDPDSA-N 438.486 3.641 10 40 IHCB COc1cc(/C=C2/SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1OCC(N)=O 33304252 KQNMQKQERXYANK-RQZCQDPDSA-N 431.901 3.604 10 40 IHCB COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 69456227 QORYVAJHRFOYMO-UHFFFAOYSA-N 435.483 3.845 10 40 IHCB CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220517817 VCIZRWZVYMXHII-HSZRJFAPSA-N 443.613 3.846 10 40 IHCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC(C)C)C2=O)c(OC)cc1Cl 408836060 PQNHWUXHIGZWRK-NTEUORMPSA-N 444.871 3.811 10 40 IHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC 409166371 FFLQCNMQGBPXEC-UKTHLTGXSA-N 446.912 3.587 10 40 IHCB COc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)sc2c1 4181598 BOTMJDCRNCDUAY-LCYFTJDESA-N 428.857 3.537 10 40 IHCB CCOC(=O)c1ccc(N(CCC[C@@H](O)CN=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)cc1 4974286 YXSJPJIOAWYOBW-LJQANCHMSA-N 446.529 3.818 10 40 IHCB Cc1ccc(S(=O)(=O)NN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=S)cc1 8765869 JOVZZTQWFHZGBC-SFQUDFHCSA-N 433.580 3.792 10 40 IHCB CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)NC1=S 8816281 VQBLVZVKPFANFT-JXMROGBWSA-N 425.691 3.619 10 40 IHCB Cc1cccc(COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 409401452 YOLLFASIHBTUGL-STZFKDTASA-N 429.432 3.944 10 40 IHCB CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1 4117571 XWKFONHKCVPDSY-HXUWFJFHSA-N 438.524 3.561 10 40 IHCB CCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 13645632 ORIQDPJFRPLPSA-JUACWREWSA-N 442.610 3.706 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Cl)c1 27987479 HIVKWYCEOKIXKU-FRKPEAEDSA-N 432.910 3.909 10 40 IHCB Cc1cccc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])c1 35214442 WXTUMQZHESQNQE-RGEXLXHISA-N 443.415 3.584 10 40 IHCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1F 41078440 SQRCXQDZVRDGMP-UXMLFEQVSA-N 435.411 3.894 10 40 IHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OCC)c3)C2=O)cc1 408893452 AQDCEESJRTYOLI-RGEXLXHISA-N 438.480 3.939 10 40 IHCB CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1O 409126154 DTEYXWNKXVJXQN-SXGWCWSVSA-N 447.310 3.954 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccnc1 409221146 LOMYQSJFXNPKTR-GZTJUZNOSA-N 436.924 3.974 10 40 IHCB COc1ccc2c3c(n(C[C@H](O)c4ccc(O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 604405903 SVUMIJCVPOHFQB-IBGZPJMESA-N 443.455 3.669 10 40 IHCB biogenic CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 27530535 CZUNGPWWZAFEMV-GZTJUZNOSA-N 443.506 3.833 10 40 IHCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409097410 IIVLTKGCHBHHJT-LFIBNONCSA-N 429.904 3.911 10 40 IHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C(=O)NC1=S 409393222 VWXAYKVOUBQIKN-GXDHUFHOSA-N 432.343 3.503 10 40 IHCB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCC3)[nH]n2)cc1 223809806 OPFRVEFZUQVEKQ-DEOSSOPVSA-N 433.556 3.718 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Br)c1O 96193242 LTXBUAZZDJQGPP-NSIKDUERSA-N 431.242 3.668 10 40 IHCB CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 1184221 DURHQRYYHSWCIG-BOPFTXTBSA-N 426.519 3.787 10 40 IHCB Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc(O)cc4C(=O)O)cc3C2=O)c1C 2268857 MTXKGAUCZOAXRB-UHFFFAOYSA-N 430.416 3.760 10 40 IHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 8821561 MISOFQRKQIGPKY-UYRXBGFRSA-N 443.546 3.934 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 17373741 KVCDDOXQWQCMBL-LICLKQGHSA-N 443.506 3.839 10 40 IHCB COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1 24601764 CDHSLAQCWGYERC-UHFFFAOYSA-N 448.489 3.674 10 40 IHCB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(N(C)C)cc3)C(=O)O)n[nH]2)c1 408632731 KAJPXTJFSGIONB-NVMNQCDNSA-N 426.498 3.773 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1O 409090162 LTSUJWGLLDEKQJ-LYGDGENHSA-N 444.372 3.934 10 40 IHCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)NC1=S 409230834 GDCQNXGVJXKYRR-UVTDQMKNSA-N 444.354 3.655 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 2301855 ZNGCSJFQNPTKRC-JWGURIENSA-N 444.487 3.923 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)cc1 13505242 UGBAYMJDLDCSHY-QHCPKHFHSA-N 446.580 3.703 10 40 IHCB C[C@H]1CN(c2ccc(CNC(=O)c3csc(-c4ccccn4)n3)cc2F)C[C@H](C)O1 58433039 XLBQZWOAXWXOFP-GJZGRUSLSA-N 426.517 3.888 10 40 IHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCCC2)N2CCc3ccccc32)cc1 10188420 QETWLDOERUCFFM-RUZDIDTESA-N 448.611 3.812 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 225280769 MOQKAJSBEHZQBR-HXUWFJFHSA-N 443.613 3.562 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1cccc(F)c1 8862313 NYPOKHNKPGYIEY-VWLOTQADSA-N 431.467 3.809 10 40 IHCB CCN(CC)c1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(OCc2ccccc2)c1 9234797 MJRIRXUNOLFJDQ-ACCUITESSA-N 436.468 3.979 10 40 IHCB CCOC(=O)Nc1ccc2c(CN3CCN(c4ccc(OC)cc4)CC3)cc(=O)oc2c1 57548119 JMKISTPRBKLDCO-UHFFFAOYSA-N 437.496 3.692 10 40 IHCB CN1CCCc2cc(CNC(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)ccc21 58769800 NIWIVXNJNFNGKM-KRWDZBQOSA-N 442.357 3.501 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccc(Cl)cc3)c3nnnn3C(C)C)CC2)cc1 20140458 DHFHHLLYPHYTLY-NRFANRHFSA-N 426.952 3.828 10 40 IHCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)CC2)cc1 28220949 FXKAXPMKBMEQHU-FQEVSTJZSA-N 427.976 3.909 10 40 IHCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NC1=S 409172723 HDPKXAQSYIATKG-QINSGFPZSA-N 449.444 3.695 10 40 IHCB COc1ccc(S(=O)(=O)Nc2c(C)cc(O)c(S(=O)(=O)c3ccccc3)c2C)cc1 10014003 FGMQCUYMTMAYEE-UHFFFAOYSA-N 447.534 3.651 10 40 IHCB CCOc1cc(/C=C2\C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)ccc1O 12465672 NERCNDFHNZFPCT-RCOXNWNUSA-N 436.493 3.797 10 40 IHCB Cc1ccc(S(=O)(=O)N2CCN(Cc3c(O)c(Cl)cc(Cl)c3O)CC2)cc1C 12750837 GKZCIQXUZXTIBR-UHFFFAOYSA-N 445.368 3.528 10 40 IHCB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O 18153726 SYPBHEQVTDEXFB-SJBKTWHCSA-N 434.423 3.591 10 40 IHCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1F 18180147 HBEGEVRYDQYKLS-HKBOAZHASA-N 441.414 3.521 10 40 IHCB COC(=O)COc1c(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cccc1OC 408535273 VOKOHGUKMICEBU-BOPFTXTBSA-N 429.519 3.961 10 40 IHCB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O 409239678 IIHOGCXSFLXYAA-FOWTUZBSSA-N 441.940 3.780 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\N[C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 20790630 BDQOMFVODZMWHA-ZPGVCQSWSA-N 437.540 3.747 10 40 IHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223660622 XDYNOFMLGYJCQN-XZOQPEGZSA-N 449.580 3.728 10 40 IHCB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)ccc21 225697596 VMVBSUWOAHFBQX-MRXNPFEDSA-N 445.610 3.798 10 40 IHCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cccc1OC 1106534 HLQNMBMTHNTABU-LVLBFHFTSA-N 428.485 3.843 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1 8898305 PYTDLJSDTDRRML-VWLOTQADSA-N 447.466 3.646 10 40 IHCB CCCCc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1 48988523 OLFOPVYRHNMCNM-UHFFFAOYSA-N 426.538 3.655 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 100371079 MLXQHVURHOIKLS-NJYVYQBISA-N 447.462 3.649 10 40 IHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(Cl)cc4s3)C2=O)c(C)c1 408533824 PFOSXFSTWSCBBL-NTEUORMPSA-N 440.912 4.454 10 40 IHCB COc1ccc2[nH]cc(CCN/C(C)=C3\C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3C)c2c1 103916824 YHNHVYOMYDYICZ-HMAPJEAMSA-N 433.468 3.914 10 40 IHCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 44827124 VVQOVNYOLQFMIU-CPNJWEJPSA-N 437.481 3.502 10 40 IHCB O=C([C@@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c2ccccc2O1)N1CCCCC1 14135524 SNPNRABOQFEVNJ-XXFRDUSWSA-N 442.519 3.692 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 9727845 YGGZTEUFFPLAPJ-UHFFFAOYSA-N 447.564 3.655 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC 408805780 LNWORSBMRASQKD-NTEUORMPSA-N 445.269 3.523 10 40 IHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223660674 XDYNOFMLGYJCQN-DHIUTWEWSA-N 449.580 3.728 10 40 IHCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 15670022 WKRBRXSTPCKFFL-UHFFFAOYSA-N 426.904 3.680 10 40 IHCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964163 UJPKYZRYAINMCT-QFIPXVFZSA-N 440.975 3.533 10 40 IHCB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NCc1ccco1)OCO3 6446506 XQDPIYZOTSLCIB-UHFFFAOYSA-N 447.516 3.927 10 40 IHCB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138462 HOOWQSPWADVPBL-XMMPIXPASA-N 448.611 3.968 10 40 IHCB Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18122491 GGLJFYXFKKPCRV-FKBYEOEOSA-N 437.451 3.690 10 40 IHCB biogenic COc1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3OC)CC2)c([N+](=O)[O-])c1 33386105 SXWDGGCAFIXVAL-UHFFFAOYSA-N 440.283 3.881 10 40 IHCB Oc1ccccc1CN1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225473989 JUUXQJGOUQUPSR-UHFFFAOYSA-N 435.593 3.891 10 40 IHCB biogenic,in-vitro CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1OC 409135885 WGKFRDREUGAZOQ-LFIBNONCSA-N 444.871 3.505 10 40 IHCB C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 12610059 VYCONRBJFSIFPF-MRXNPFEDSA-N 433.346 3.712 10 40 IHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1 409242767 YFRCIDPCJLDRSL-HYARGMPZSA-N 429.476 3.974 10 40 IHCB O=C1/C(=C/c2cc(Br)c(O)cc2O)C(O)=NC(=S)N1c1ccccc1F 83330502 OHOVVCWUXYHQHZ-WEVVVXLNSA-N 437.246 3.671 10 40 IHCB CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1 706404 KGUOQMOGTPCDGA-JOCHJYFZSA-N 437.496 3.633 10 40 IHCB CCN(CCCNC(=O)c1cccc(I)c1)c1ccc(OC)cc1 224968103 KXFYMEMKXSMCRB-UHFFFAOYSA-N 438.309 3.946 10 40 IHCB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 409044220 ULYDQMHJFYQBQA-LFYBBSHMSA-N 436.207 3.577 10 40 IHCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 409228044 SULPEYGWRXELGV-CPNJWEJPSA-N 428.510 3.954 10 40 IHCB COc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 1236399 HQGKNONFPTVCHD-BRYHAGSVSA-N 429.519 3.601 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c(OC)c1 1298584 MHDMJISNSIOPLD-SXGWCWSVSA-N 434.926 3.903 10 40 IHCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 4125228 CZUCNIIVPPUJID-XVNBXDOJSA-N 446.847 3.527 10 40 IHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)c1 409250630 XRLICVVHTARODS-CPNJWEJPSA-N 430.533 3.937 10 40 IHCB COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2)c1 33457392 RAXQTHXRBKPYGO-HDUSIBQMSA-N 436.493 3.792 10 40 IHCB Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)c1Br 218841269 OQZBJLXIHQYZKK-UHFFFAOYSA-N 433.346 3.598 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224520956 HAUCCISXSJNISW-LJQANCHMSA-N 431.602 3.621 10 40 IHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 408935106 GSGMQKLPFARQAH-MOSHPQCFSA-N 432.407 3.777 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)c(C)c1 409123391 GBTPZUWVHFSQGK-MDWZMJQESA-N 431.311 3.603 10 40 IHCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)O 409188844 GVUBIGWNNSFNFN-SEEODLKFSA-N 449.246 3.512 10 40 IHCB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 13572013 WSJOZDVTHRADJK-CYUIRQCWSA-N 446.981 3.994 10 40 IHCB COc1ccc2cc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c(=O)[nH]c2c1 13691588 OKELJYJPYCGPMV-RQZCQDPDSA-N 438.486 3.641 10 40 IHCB CCOc1cc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1O 35043469 GISKOEZFEBYZCX-XSFVSMFZSA-N 427.501 3.723 10 40 IHCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 59959577 PBNOZRBWBBTWIP-STZFKDTASA-N 440.540 3.595 10 40 IHCB CC(C)n1[nH]c(=O)c2c(-c3ccc(OCC(=O)O)cc3)c3oc4c(O)c(O)ccc4c3nc21 85878375 RSHOAGZPTUZKOB-UHFFFAOYSA-N 449.419 3.747 10 40 IHCB biogenic Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 101102015 AWAWUILLUYUZGG-BHDDXSALSA-N 443.499 3.818 10 40 IHCB CCOC(=O)c1cc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cl 408537017 YULUMGUZFQBQAF-GZTJUZNOSA-N 441.871 3.712 10 40 IHCB O=[N+]([O-])c1cc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c(O)c([N+](=O)[O-])c1 4758328 FTUJGONXWXGSFD-ISLYRVAYSA-N 434.342 3.730 10 40 IHCB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9141060 BJJHHZZXOMCLQI-UHFFFAOYSA-N 447.468 3.668 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 222538055 NNJJYEGSRSSTNL-UHFFFAOYSA-N 437.993 3.577 10 40 IHCB COc1ccc(N2CCN(C(=O)c3ccc(C)cc3I)CC2)cc1 225014411 GVRCBIOBGKFOJQ-UHFFFAOYSA-N 436.293 3.571 10 40 IHCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 222681602 LUSOUDBCKAUADL-MAODMQOUSA-N 439.541 3.806 10 40 IHCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)nc1 223275952 CROBBQGPKBXCIH-XZOQPEGZSA-N 434.613 3.727 10 40 IHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 408884705 UYARFHGSLOPDAW-DHDCSXOGSA-N 430.913 3.967 10 40 IHCB COCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 18062940 ONHFNXDPMWXNNZ-HKWRFOASSA-N 436.537 3.956 10 40 IHCB O=S(=O)(c1cccc2nsnc12)N(Cc1cccs1)c1ccc2c(c1)OCCO2 19079664 HFHKLDFZTUXKPH-UHFFFAOYSA-N 445.547 3.920 10 40 IHCB CCN1CCN(Cc2c(O)ccc3c(C)c(-c4ccc(OC)cc4OC)c(=O)oc23)CC1 20611847 GIJFJHHQGQGIRF-UHFFFAOYSA-N 438.524 3.629 10 40 IHCB biogenic CCN1C(=O)/C(=C\c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)c2ccccc21 96234503 SEUJVOYLLUZFFO-HBEGMLAUSA-N 429.520 3.844 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)cc3C)C2=O)c(C)c1 408533179 OEUQIYAMTYGKEI-XNTDXEJSSA-N 428.286 3.953 10 40 IHCB CN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1 20100251 QKQHAQZFVPLHSW-AWEZNQCLSA-N 428.739 3.712 10 40 IHCB COc1ccc(N2CCN(C(=O)Cn3nc(C)nc3-c3ccc4ccccc4c3)CC2)cc1 58158534 STDOVQDNAXGKGO-UHFFFAOYSA-N 441.535 3.764 10 40 IHCB Cc1cc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(C)c1Br 216950540 NQRVBNYZZZGOMH-UHFFFAOYSA-N 446.389 3.513 10 40 IHCB Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 9960640 QFUQKGPSXPVDHN-PABFRNLHSA-N 429.428 3.947 10 40 IHCB CC(=O)Oc1c(Cl)c(N2CCCCC2)c(OC(C)=O)c2c1C(=O)c1ccccc1C2=O 66091779 OZGUYNPPWRYIFG-UHFFFAOYSA-N 441.867 3.956 10 40 IHCB CCN(CC)c1ccc(CNS(=O)(=O)c2cc(Br)ccc2OC)cc1 224447627 DCTZMBXAPAYCEE-UHFFFAOYSA-N 427.364 3.782 10 40 IHCB COc1ccc(OC[C@@H](O)Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 604404544 DIHGLTSVRIVBGL-INIZCTEOSA-N 427.456 3.661 10 40 IHCB biogenic CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 8819081 VGROCDQUJFMGGA-PDGQHHTCSA-N 428.535 3.934 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C)C2=O)cc1OC 27530594 LXHQOTQTYWGYML-WOJGMQOQSA-N 428.535 3.852 10 40 IHCB CCCCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733253 GFNWIYUKENMKBS-RUZDIDTESA-N 437.584 3.661 10 40 IHCB O=C1NC(=O)C(=Cc2c(Cc3ccccc3Br)ccc3ccccc23)C(=O)N1 408868978 ONQSFBZZPANGFH-UHFFFAOYSA-N 435.277 3.943 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)ccc1OC(C)=O 8443097 ALLMKAGDJGBGPI-NDENLUEZSA-N 436.464 3.992 10 40 IHCB CCCCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 8590096 MHCHAGBWKIKBJL-QFIPXVFZSA-N 444.597 3.761 10 40 IHCB C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)O 59247832 OCENCLIOBCXDIB-YWEFTTLKSA-N 449.246 3.512 10 40 IHCB CSc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)N1CCCCC1 223891698 BLDFRCJYPXRHTG-UHFFFAOYSA-N 447.626 3.579 10 40 IHCB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(N2CCCCC2)cc1 8779819 PUEYXWHTVVVONK-MRXNPFEDSA-N 440.613 3.785 10 40 IHCB CCc1ccc(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 8825924 JUYVCJZKLBXSKI-UHFFFAOYSA-N 443.411 3.972 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Oc3ccccc3)C2=O)cc1OC 8871694 TZEXVTDRIKRQAZ-AQTBWJFISA-N 429.519 3.901 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)C34CC5CC(CC(C5)C3)C4)N3CCOCC3)ccc21 13008278 QOKCWIUMQJRQFY-XTOQWRRBSA-N 437.628 3.775 10 40 IHCB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409041139 IMVRWTMZSYIMPX-NTUHNPAUSA-N 436.207 3.577 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC 409141529 IHIHOGSZDJMPRT-RIYZIHGNSA-N 430.913 3.805 10 40 IHCB O=C(O)c1cc(C(=O)C(=O)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2c1O 1565922 BRCWHTNRFUVIQT-UHFFFAOYSA-N 430.368 3.866 10 40 IHCB in-vivo COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc1Cl 9138233 OXOBFPZSFBTGMA-SDQBBNPISA-N 432.816 3.578 10 40 IHCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2Br)cc1 9299727 KIFVNAKTHZZTMB-OQLLNIDSSA-N 445.338 3.593 10 40 IHCB CCOc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 9311450 LRXKYRJXGNXOIG-PTNGSMBKSA-N 431.311 3.679 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccc2oc(=O)ccc2c1 9429884 PCIWPZFQSGNEDM-MFOYZWKCSA-N 440.477 3.772 10 40 IHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)N[C@H]1CCCc2ccccc21 12618951 RCNZMKYIDWOLDG-QFIPXVFZSA-N 439.467 3.813 10 40 IHCB CCOc1ccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc1OCC 16692883 MNKRMYCFCHCGNT-YBEGLDIGSA-N 425.397 3.899 10 40 IHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)CC 33533112 RZCHEOWFTRTMSZ-RQNDZEIBSA-N 425.441 3.632 10 40 IHCB COc1ccc(CNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1OC 95473662 RVDVTFAJMMJJJG-UHFFFAOYSA-N 440.455 3.662 10 40 IHCB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccccc1 208676664 NJAGDZCZAHRZJZ-AQTBWJFISA-N 427.507 3.837 10 40 IHCB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)ccc21 223868157 XSVALLVIJIFSIN-GOSISDBHSA-N 441.597 3.701 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OC)c1 408995605 BMIVURAADQPKOL-ZHZULCJRSA-N 437.492 3.628 10 40 IHCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 6600514 ANYQMZZRRJCITC-CXUHLZMHSA-N 430.463 3.702 10 40 IHCB CC(C)[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 9429258 RPTNBMHDRBUCBY-GRTQGXPSSA-N 440.590 3.977 10 40 IHCB CCOC(=O)c1sc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)nc1C 9572342 RZNZOHRYQKHTOX-UHFFFAOYSA-N 446.554 3.768 10 40 IHCB CCOc1ncc(C2(O)CCN(Cc3ccc(N4CCCC4)c(C)c3)CC2)c(OCC)n1 19531721 VBWAJZNKASBWEQ-UHFFFAOYSA-N 440.588 3.666 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 23744411 LEOPSYAZUMZXDR-UHFFFAOYSA-N 427.504 3.821 10 40 IHCB CC1(C)NC(=O)N(CCCSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)C1=O 40089706 JQOONGBCQGQREM-QGZVFWFLSA-N 428.558 3.542 10 40 IHCB O=C(NN1C(=O)/C(=C\c2cc3ccccc3oc2=O)SC1=S)c1ccc(Cl)cc1 409348584 OZZKJDGPBSLSDZ-MHWRWJLKSA-N 442.905 3.993 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 8769964 DALIZPZLGJRGJJ-GDNBJRDFSA-N 448.547 3.772 10 40 IHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 9290660 GTVNQWLZJBPQPX-UNOMPAQXSA-N 437.952 3.870 10 40 IHCB COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 34234342 XCJLCDKUYGSXQI-SDQBBNPISA-N 435.219 3.992 10 40 IHCB O=C1N[C@H](c2c(O)ccc3ccccc23)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 57531278 UFPDWGZXDYVWTN-DBXWQHBBSA-N 430.382 3.649 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 225874974 LHIZYRONOOTVHU-UHFFFAOYSA-N 437.993 3.577 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 408742520 PMMJMAJGPMOFEC-KGENOOAVSA-N 443.459 3.547 10 40 IHCB COc1ccc(Nc2cc(N3CCN(C)CC3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 9130424 LAJGIMIBWMVXGJ-UHFFFAOYSA-N 442.519 3.548 10 40 IHCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)o1 19877901 GOQBXZRZDJIQSE-ATVHPVEESA-N 449.444 3.695 10 40 IHCB COc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1OC 49003848 VBBLPPZEAJBPLM-UHFFFAOYSA-N 448.928 3.746 10 40 IHCB C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CC[C@@H]2CCCN2C1 104076462 LDMIVIYBJXARTK-HKJJFUAXSA-N 435.475 3.963 10 40 IHCB CCCCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 8590094 MHCHAGBWKIKBJL-JOCHJYFZSA-N 444.597 3.761 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 9310862 NEDYUKDMAIHSPX-MTJSOVHGSA-N 444.447 3.977 10 40 IHCB Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)cc1 22327993 YDJUCTVNVFMXJP-VQTJNVASSA-N 443.613 3.875 10 40 IHCB Cc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 41076275 AISWFHSGACZQLE-KLMXXLHHSA-N 448.386 3.875 10 40 IHCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)o1 113835503 RDOYDWBZWLWTEC-LDADJPATSA-N 447.403 3.838 10 40 IHCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)nc1 223275897 CROBBQGPKBXCIH-PKTZIBPZSA-N 434.613 3.727 10 40 IHCB O=C(CSc1ccc(/C=C2\SC(=S)NC2=O)cc1[N+](=O)[O-])Nc1ccccc1 408993818 WYYVYCDYHJZIJQ-DHDCSXOGSA-N 431.520 3.814 10 40 IHCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 13572030 AIMAQRLODNGKQC-UDLNKVAWSA-N 439.002 3.695 10 40 IHCB O=C1/C(=C/NNc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 100273110 CNGXQLJPLVRPSF-FMIVXFBMSA-N 448.386 3.970 10 40 IHCB COc1ccc2c3c(n(CCCc4nc(C)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604405497 OVWLGKZZBYWFMH-UHFFFAOYSA-N 431.448 3.554 10 40 IHCB biogenic CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC 16688302 QEGLUIXLVBUNFZ-RIYZIHGNSA-N 434.876 3.718 10 40 IHCB O=c1cc(-c2cc3cc(Cl)ccc3oc2=O)c2ccc(O)c(CN3CCOCC3)c2o1 20611369 BMMQZOXLNLHZPI-UHFFFAOYSA-N 439.851 3.758 10 40 IHCB biogenic Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O 22327023 DYBIRVCPASZHRB-HXUWFJFHSA-N 443.613 3.875 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc([N+](=O)[O-])cc1 27530574 PVEPGLNBJFWMDG-LFIBNONCSA-N 431.470 3.964 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 35264405 FIKHVWXQDCYKQF-HUCUOGIVSA-N 443.546 3.991 10 40 IHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 223695282 BJUPHPHUSGCCLI-FGZHOGPDSA-N 449.580 3.728 10 40 IHCB CCOc1cc(OCC)c(C[C@H]2SC(=S)N(CCOC)C2=O)cc1Br 409144329 JPPUCFJDBMBOSR-OAHLLOKOSA-N 448.404 3.664 10 40 IHCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 14903970 GHPBAVLZEHXRCR-WOJGMQOQSA-N 428.535 3.900 10 40 IHCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)cc1 19796443 JQPRXUKVMYLKNX-UHFFFAOYSA-N 429.523 3.583 10 40 IHCB CCC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 408536663 SKSKQYVEQCEIQH-GDNBJRDFSA-N 432.354 3.687 10 40 IHCB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 9602787 LQPHUXSBTNRYBY-QGZVFWFLSA-N 431.949 3.888 10 40 IHCB CCOC(=O)[C@@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 33410700 VJGHLUHKEFWWKH-KQRQPNSISA-N 430.460 3.632 10 40 IHCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1cc(C(=O)OC)ccc1C(=O)OC 102881716 MFTLCJKAKABOPQ-QGOAFFKASA-N 439.443 3.898 10 40 IHCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1C1CCCCC1 107818480 YDMDFMMVHXDPPB-QGOAFFKASA-N 433.555 3.965 10 40 IHCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O 14250068 OHZXLQRLBMLDEH-HKWRFOASSA-N 428.579 3.772 10 40 IHCB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 409193751 LJFTWYYKRGOVFF-UHFFFAOYSA-N 430.844 3.599 10 40 IHCB COCCCN(Cc1c(O)ccc2c(C)cc(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524730815 YJIOFMPLZBQLPR-SIKLNZKXSA-N 428.573 3.910 10 40 IHCB biogenic Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O)c(CNCCCN3CCOCC3)cc12 13608338 BDRFNSKFROTYGZ-UHFFFAOYSA-N 436.552 3.518 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)C1 22335348 NJHRQENFWSVOOE-ZWKOTPCHSA-N 447.576 3.705 10 40 IHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccccc1 41082443 ARPOXLKMWCRARN-IVSPKQSDSA-N 449.463 3.612 10 40 IHCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 59138755 OVYMWKJLCREJAG-KGENOOAVSA-N 443.459 3.801 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)cc1 409243076 YKUKUFJFTKHPMC-XSFVSMFZSA-N 446.532 3.719 10 40 IHCB CCOC(=O)CCN(C[C@@H]1CC=CCC1)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 5393062 BOIFMDVZDHWMDN-MRXNPFEDSA-N 449.503 3.989 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OC)c(OCC)c2)C1=O 409226256 MHYXJCFJKMIABU-GXDHUFHOSA-N 444.871 3.812 10 40 IHCB COc1ccc(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(OC)c1 13108555 AILYXRBIJBOIJF-UHFFFAOYSA-N 430.412 3.519 10 40 IHCB CC1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 27530512 VQSRLTQSPFYFQX-LDADJPATSA-N 432.567 3.655 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Br)cc3Cl)C2=O)cc1 408533263 RUKKWYKZWXGHJM-LCYFTJDESA-N 434.677 3.990 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1 409372303 JYPSSYOEXAAAAL-DEDYPNTBSA-N 446.459 3.919 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1C(=O)O 9045850 OUKIHDBZYUCFRN-XNTDXEJSSA-N 448.547 3.772 10 40 IHCB C[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 260511899 SWUSQRDYICUQDV-MSOLQXFVSA-N 429.586 3.810 10 40 IHCB Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)c1 12700210 DTHQQBTXSNAMBG-UHFFFAOYSA-N 437.565 3.549 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N(C)Cc3ccccc3)C2=O)cc1OC 27530661 GXYGUXNWOADHHD-XDHOZWIPSA-N 442.562 3.564 10 40 IHCB Cc1cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(C)n1-c1ccccc1 29812714 DZAZPBXQXDESOS-UHFFFAOYSA-N 432.524 3.617 10 40 IHCB Oc1ccccc1CN(C[C@H](O)COc1ccc(Br)cc1)C[C@@H]1CCCO1 9493298 QZJLBKZWIMPBMG-ICSRJNTNSA-N 436.346 3.576 10 40 IHCB Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@@H]2c1ccccc1O 104280030 UBSLMWUFRAWLHW-QHCPKHFHSA-N 429.524 3.540 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c4ccccc34)C(=O)NC2=S)c(OC)c1 409100670 RJLIPAUMLCNBMF-LDADJPATSA-N 448.500 3.697 10 40 IHCB COc1ccc(OC)c(N2CC(=O)N(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2=O)c1 15412575 HXHWDPPGYKWBBI-RUZDIDTESA-N 445.519 3.891 10 40 IHCB CCn1cc(/C=C2\C(=O)N=C(O)N(CCc3ccc(OC)c(OC)c3)C2=O)c2ccccc21 17198271 QVPJOOWSRRTJKM-XMHGGMMESA-N 447.491 3.587 10 40 IHCB Cc1cc(C(=O)CN2CC=C(c3ccccc3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 58131625 MINFWRHLZOVXQH-UHFFFAOYSA-N 449.576 3.714 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(OC)c1 96234385 JAQUOLXZQZIPRO-PJQLUOCWSA-N 437.304 3.842 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1Cl 686755 GXDBGIANKIPPMF-WOJGMQOQSA-N 437.908 3.976 10 40 IHCB Cc1cc(C(=O)COC(=O)c2cccnc2N2CCCC2)c(C)n1-c1ccc2c(c1)OCO2 12543165 BEGJIIROUBPLLZ-UHFFFAOYSA-N 447.491 3.858 10 40 IHCB CN(C)c1ccc([C@@H]2N[C@H](c3ccc(N(C)C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 33929629 AZYNBZDCAGSMDT-LRSLUSHPSA-N 441.532 3.521 10 40 IHCB O=c1cc([C@H]2CCCN(Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2ccncc2)[nH]1 72392966 DRZCDSWEPSHKGF-FQEVSTJZSA-N 433.531 3.951 10 40 IHCB CCc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 408527870 GQDJUDPNUNMHCZ-QGOAFFKASA-N 430.420 3.889 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 409410589 YBBSFUHVMJOPTR-ZHZULCJRSA-N 428.444 3.684 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(Cl)c3)N3CCCC3)ccc21 9135513 XEVMRLABVBANQO-QFIPXVFZSA-N 440.975 3.614 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(C)c1 9165233 XCEHUJCQZAUTEO-RUZDIDTESA-N 448.611 3.968 10 40 IHCB C[C@@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 9253628 DJVIYPBCLKBNMV-ULMFOFDQSA-N 439.002 3.693 10 40 IHCB COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)ccc1Cl 9310636 PQJFWIMRTKDZFC-VGOFMYFVSA-N 437.882 3.672 10 40 IHCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007896 IPUJSNVXAXKCOD-DEOSSOPVSA-N 434.584 3.578 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)cc1 59138960 XYKKDWOXSJVZLS-XMHGGMMESA-N 430.416 3.742 10 40 IHCB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 103067426 JUPPABNEHAXHOT-DGXSCYLFSA-N 448.479 3.759 10 40 IHCB CN1CCCc2cc(CN3CCO[C@H](c4cccc(-c5cccc(C(N)=O)c5)n4)C3)ccc21 257309456 UBAAGVDAABAORA-SANMLTNESA-N 442.563 3.803 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(OC)cc3)C2=O)cc1 408853364 RNSAPSNSFIUHQG-RCCKNPSSSA-N 431.448 3.551 10 40 IHCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 408945176 WCWSDIKUJIHIJZ-CPNJWEJPSA-N 430.416 3.603 10 40 IHCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409190027 UUJWFHFWGOJSCQ-CPNJWEJPSA-N 446.484 3.768 10 40 IHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC1=S 409214478 XSPUOUXYFFNPIB-YVLHZVERSA-N 444.490 3.548 10 40 IHCB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 409233998 VIUCOIRWDAJEOM-SFQUDFHCSA-N 439.899 3.924 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 10129202 JIKSKSQMYBLDJX-VWLOTQADSA-N 442.563 3.920 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCOCC3)ccc21 13008285 HOACCTUGFVYLBM-QFIPXVFZSA-N 447.501 3.891 10 40 IHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 41083885 PFHIHALMZJFDMZ-HJDDMPKESA-N 448.913 3.611 10 40 IHCB CCN1C(=O)C(=CNc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N(CC)C1=O 984565 LEUBOGBQAUIJTD-UHFFFAOYSA-N 425.872 3.697 10 40 IHCB COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3c3nc4ccccc4s3)CC2)cc1 9635586 VLISOBUOPIKOTN-OAQYLSRUSA-N 436.581 3.791 10 40 IHCB CNc1nc([C@H]2CCCN2Cc2ccc(N3CCCC3)c(C)c2)nc2c1CCN(C(C)=O)C2 19707458 NYFSKGILRJIVNC-XMMPIXPASA-N 448.615 3.669 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 33537727 OYSYZDNBPKWCON-GZTJUZNOSA-N 442.518 3.711 10 40 IHCB COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(N(C)C)cc3)C2=O)cc1 102712051 NQUPGJZOCGMEGD-KMDXXIMOSA-N 443.503 3.812 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 408768889 LBXBSKCXNBPUJY-KGENOOAVSA-N 442.427 3.630 10 40 IHCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 409129988 SWZWAJFCVIBKHB-PACYTGELSA-N 430.551 3.585 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC 409248592 HGMPIYDPJSYAPD-OQLLNIDSSA-N 430.913 3.887 10 40 IHCB CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3641595 MKFSAOVMEASYJP-NRFANRHFSA-N 431.452 3.572 10 40 IHCB COc1ccc(N(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)Cc2ccccc2)cc1 14845684 OFVCTMYHJLBBAT-UHFFFAOYSA-N 447.491 3.821 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 225280799 MOQKAJSBEHZQBR-FQEVSTJZSA-N 443.613 3.562 10 40 IHCB COc1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccco1 2970968 KSCZKRMLVFGVTB-BGARDKSCSA-N 445.518 3.888 10 40 IHCB O=C(O)c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3[C@H]3C=CC[C@H]32)c1 12428652 GQICLGHDBAZQOY-UEXGIBASSA-N 448.504 3.802 10 40 IHCB CC(=O)Nc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2)cc1 13574539 NWEYKOQBRWLSBH-JFSXHJKUSA-N 448.504 3.880 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)CC1 218287630 ZSNQXHCNDNDSPY-WOJBJXKFSA-N 443.613 3.955 10 40 IHCB CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 8951593 DDDUALSLQKJJIG-XNTDXEJSSA-N 432.548 3.765 10 40 IHCB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1 15134613 ITIPWFNHHJWFRV-UHFFFAOYSA-N 437.565 3.816 10 40 IHCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 16791051 DLSBOGNHTOTZJJ-UHFFFAOYSA-N 444.491 3.762 10 40 IHCB COc1ccc(N2CCN(C(=O)Cn3ccc4c(Br)cccc43)CC2)cc1 40287381 JBRFABQXHTVNRJ-UHFFFAOYSA-N 428.330 3.761 10 40 IHCB CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 220603040 GIMKOFIFNPKHOM-OAQYLSRUSA-N 447.576 3.677 10 40 IHCB COc1ccc(N(C)CCC(=O)N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 257246875 IWFIEEQWZZVSLV-QHCPKHFHSA-N 447.539 3.655 10 40 IHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 409242965 XBZGKUHVRBCJAK-KPKJPENVSA-N 435.263 3.985 10 40 IHCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(O)c2)SC1=S 618255011 MRMJXDGCNWGWIC-GFWHJHDHSA-N 428.535 3.680 10 40 IHCB CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3641598 MKFSAOVMEASYJP-OAQYLSRUSA-N 431.452 3.572 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc(OC)c1OC 8828394 WXZHYTMSKMILJW-PXNMLYILSA-N 447.490 3.522 10 40 IHCB C[C@H]1CN(c2ccc(CNC(=O)c3csc(-c4ccccn4)n3)cc2F)C[C@@H](C)O1 58433033 XLBQZWOAXWXOFP-GASCZTMLSA-N 426.517 3.888 10 40 IHCB O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1F 100156093 HBEGEVRYDQYKLS-ACRUOGEOSA-N 441.414 3.521 10 40 IHCB Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1C 100252189 WEWWSJWVVAJEGN-QNGOZBTKSA-N 444.560 3.991 10 40 IHCB Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O 218228437 GKXMMMDLSYELMJ-QUCCMNQESA-N 443.613 3.875 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1 408959901 HVHUDFSNQRJJQI-LTGZKZEYSA-N 435.549 3.907 10 40 IHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)cc1F 409232974 TZONLVIIXWUGIN-RVDMUPIBSA-N 429.904 3.911 10 40 IHCB Cc1ccc2occ(CC(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1 8611975 WHCIHENAIFZMKY-OAQYLSRUSA-N 440.565 3.566 10 40 IHCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1F 18180144 HBEGEVRYDQYKLS-QHAWAJNXSA-N 441.414 3.521 10 40 IHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Br)c1O 408843553 FZUMUQVCAHOPQM-WUXMJOGZSA-N 439.624 3.614 10 40 IHCB COc1ccc2nc(/C=C3/SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)ccc2c1 9423242 CTPGXBJABVXWLA-BMANGOCTSA-N 434.564 3.651 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1 409246663 AAFVCGOCXZQWSK-CPNJWEJPSA-N 437.565 3.990 10 40 IHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409394377 ZQAYSSHENPSXCR-FYJGNVAPSA-N 440.434 3.890 10 40 IHCB COc1cccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 1103809 DLPUMJDRVBWIRT-AQTBWJFISA-N 437.546 3.899 10 40 IHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C)cn4)c3C)C2=O)cc1 8815817 IWIYIILQHJNZRJ-CIAFOILYSA-N 443.507 3.637 10 40 IHCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 223466460 LBAOPBBCXJCVNR-QFIPXVFZSA-N 431.602 3.702 10 40 IHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(OC)cc2)SC1=S 256055893 YAGLPAXIXPWSFP-OWBBTNHHSA-N 442.562 3.983 10 40 IHCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)o1 408786440 PYSNVNBBBKYILT-LDADJPATSA-N 447.403 3.838 10 40 IHCB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)SC1=S 409147665 NEJDYGKBOPQJDO-UYRXBGFRSA-N 443.594 3.501 10 40 IHCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 12363143 CLKFOXJWKNDLGM-NBVRZTHBSA-N 434.496 3.514 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@@H]3C)C(=O)NC2=S)cc1 96246895 ZIHZDQGNUVSGTD-QIQQCEGHSA-N 439.512 3.697 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408871689 ZFMNAMTYCNLYLU-CXUHLZMHSA-N 429.270 3.741 10 40 IHCB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)OC)SC1=S 409332568 QINUUMHNSJDNLB-JYRVWZFOSA-N 430.345 3.612 10 40 IHCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3CCC(C)CC3)c2C)c1 948801 GPOVIHUCJZTOCA-UHFFFAOYSA-N 426.513 3.582 10 40 IHCB Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 8590135 XGKHWNHDOBYYPE-LJQANCHMSA-N 426.538 3.637 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(N)=O)c(OC)c2)SC1=S 96935922 UQXRMSPXBCTSCT-WQRHYEAKSA-N 428.535 3.528 10 40 IHCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)nc1 409100157 QERZAQUZLUMMBW-CIAFOILYSA-N 443.507 3.637 10 40 IHCB COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)c1 8432978 DEQLVHGXXLBMEJ-PDGQHHTCSA-N 428.535 3.934 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)cc1C 9762862 QYNVLHGCLMSACP-DEDYPNTBSA-N 445.500 3.624 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 22335321 XDUXXCONYUEREH-GOSISDBHSA-N 447.576 3.705 10 40 IHCB COc1ccc(N2CCOCC2)cc1NC(=O)c1cc(Br)cc(C)c1OC 41107643 GYAVHZBPHPJZKR-UHFFFAOYSA-N 435.318 3.864 10 40 IHCB CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])c(C)c3C)o2)C(=O)N(CC)C1=S 59639493 LNBMNEYMBQRDAB-UHFFFAOYSA-N 427.482 3.851 10 40 IHCB O=C1N=C(O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 9164775 PYCNWSIXOUYYTH-PTNGSMBKSA-N 430.258 3.513 10 40 IHCB COc1ccc(N2CCN(C(=O)CSc3ncnc4c3[nH]c3ccc(C)cc34)CC2)cc1 33172572 IBWFOCJXMLZRMN-UHFFFAOYSA-N 447.564 3.869 10 40 IHCB COc1ccc(N2CCN(C(=O)CCCN3C(=O)CC(C)(C)c4ccccc43)CC2)cc1 96184047 XQRIUGAGZMCXJK-UHFFFAOYSA-N 435.568 3.839 10 40 IHCB COc1ccc(N(C)CCC(=O)N2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 257246874 IWFIEEQWZZVSLV-HSZRJFAPSA-N 447.539 3.655 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138069 WUTRWXIQSVTLDK-DEOSSOPVSA-N 434.584 3.659 10 40 IHCB C=CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c1 108944903 XHTRGBRGFPXNBU-QGOAFFKASA-N 426.519 3.806 10 40 IHCB CCCCCOc1ccccc1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 9428006 YIVPXVQEAHDHSK-UHVIJJLKSA-N 425.597 3.644 10 40 IHCB CCOC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214589 MVLQSVHEPGQTFJ-HXUWFJFHSA-N 437.496 3.893 10 40 IHCB COC(=O)C1=CN(c2ccc(Br)c(C)c2)c2ccc(F)cc2S1(=O)=O 64979255 YTIRTUDXRQLSDZ-UHFFFAOYSA-N 426.263 3.836 10 40 IHCB COc1cccc(Oc2ccc(N/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 408547053 HUTDYLIMDKINIP-MOSHPQCFSA-N 433.420 3.655 10 40 IHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 408852522 GZDBRJRGZYNTDV-QGOAFFKASA-N 436.265 3.906 10 40 IHCB CCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 8913989 UYFCZDSUPGOAJS-CNTTZWEVSA-N 442.610 3.788 10 40 IHCB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 9310649 IFQMQAIDEMNCLG-GZTJUZNOSA-N 426.519 3.622 10 40 IHCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 10232906 MEQJNPCRLRYMKG-DWKHYPNZSA-N 431.491 3.774 10 40 IHCB COCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)C(=O)N(c2ccccc2)C1=O 409013444 NIRMVIRICVKDHG-RGEXLXHISA-N 438.480 3.508 10 40 IHCB COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc1 8435564 TVADRGJZOLIJCE-HVZAKDRGSA-N 436.493 3.792 10 40 IHCB CN1C(=O)/C(=C\c2ccc(N(C)C)cc2)N=C1SCC(=O)Nc1ccc(Cl)cc1 8438501 CAIBCSUBZGGOFO-LDADJPATSA-N 428.945 3.947 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(C)c1 9165228 XCEHUJCQZAUTEO-VWLOTQADSA-N 448.611 3.968 10 40 IHCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1CCCOc1ccccc1 17197081 GRKBEFRKLRSBAS-PGMHBOJBSA-N 433.439 3.967 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@H]3C)C(=O)NC2=S)cc1 96246896 ZIHZDQGNUVSGTD-RMENWYJGSA-N 439.512 3.697 10 40 IHCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C(C(=O)OC)=C1C 408773574 RLBXLOSRHAVEDO-STZFKDTASA-N 434.492 3.705 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409201527 LXPRYUWPLNGXBR-UNOMPAQXSA-N 445.431 3.644 10 40 IHCB O=C1/C(=C2\SC(=S)N(c3cccc(O)c3)C2=O)SC(=S)N1c1cccc(O)c1 8870050 QBUPBLCRRINEQI-BUHFOSPRSA-N 446.556 3.739 10 40 IHCB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(C(=O)O)cc1 1832079 VUCLFWSFUQONIV-YBFXNURJSA-N 433.420 3.888 10 40 IHCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c1O 102729694 TWGRPKZELCYRLM-FUPPJEDESA-N 430.460 3.760 10 40 IHCB COc1ccc2[nH]cc(/C=C3\SC(=S)N(c4ccc(C(=O)O)c(O)c4)C3=O)c2c1 9058839 WPAITMWRXIJQKM-FMQZQXMHSA-N 426.475 3.986 10 40 IHCB O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 409103704 FDFYWUCNRXDZGS-ODLFYWEKSA-N 432.307 3.923 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)cc1C 409232456 HXYQVYVXPDTMAX-DEDYPNTBSA-N 430.533 3.937 10 40 IHCB C[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCCC2)cc1 225695239 HQWOBLRYGWBPFG-MRXNPFEDSA-N 432.615 3.730 10 40 IHCB COc1cc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)ccc1OCc1ccc(C)cc1 13547696 GLNAZRBTPNZOFN-JCMHNJIXSA-N 437.565 3.800 10 40 IHCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1 2448838 YIWRFUMVIGXLOU-IQFISFIMSA-N 429.519 3.601 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 408915016 SYNPLVAWQDBAML-MHWRWJLKSA-N 430.913 3.574 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 409375705 ODZGYOOREQJLMG-XSFVSMFZSA-N 446.488 3.779 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409146279 SDGIBVNTRWIOHG-CIAFOILYSA-N 444.447 3.664 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc2nonc12 13575994 FABMAHBEKASCDX-ZSOIEALJSA-N 430.898 3.716 10 40 IHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 9793816 KGGHQICHHZWJOH-UHFFFAOYSA-N 439.493 3.801 10 40 IHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1 408883675 RUKYGIPFHUIQIZ-FYJGNVAPSA-N 445.406 3.991 10 40 IHCB CC(C)[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S 33526837 LIERRRUEPGWASO-XUDLPTGHSA-N 430.551 3.570 10 40 IHCB Cc1ccc(COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 33720791 NQZXXUHDNBBITA-ZHZULCJRSA-N 429.432 3.944 10 40 IHCB CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220517744 VCIZRWZVYMXHII-QHCPKHFHSA-N 443.613 3.846 10 40 IHCB CCN1C(=O)/C(=C/c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 2199754 UMFJZZRJCMSEJG-VBKFSLOCSA-N 439.518 3.717 10 40 IHCB CCN(CC)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 6144497 WHMDNAXBUHFIIE-UEXGIBASSA-N 435.446 3.637 10 40 IHCB O=C1N=C(O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 8914054 QZAVMLLNNNQVPK-VBKFSLOCSA-N 444.285 3.903 10 40 IHCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 9884788 QOEWSQPJTVMMJI-CWZJEYLYSA-N 437.882 3.729 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCc1ccc(O)cc1 33588434 IGDURRYUCSPPQI-RGEXLXHISA-N 444.553 3.872 10 40 IHCB O=C1[C@H]2[C@H](c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 100368508 SODOYIODHLUREF-HKBOAZHASA-N 447.462 3.649 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3=NCCS3)C2=O)cc1 8819886 INXWSKZSRGOPBE-SSZFMOIBSA-N 449.623 3.676 10 40 IHCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1F 1024251 VKGXYFYXKCMIJM-MFOYZWKCSA-N 433.482 3.699 10 40 IHCB CN(C)c1ccc(/C=C/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 1153456 KPHRPHTVZBUTSU-ONCSWLTESA-N 440.297 3.738 10 40 IHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)NC1=S 8451797 DHUBXWWPKWETJD-SFQUDFHCSA-N 437.908 3.976 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc2c(c1)OCO2 8819247 NHKCQLDGAMRPSJ-MFOYZWKCSA-N 430.482 3.784 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C)CC3)C2=O)cc1OC 8819472 CPBQSLJIOLBVDI-RGEXLXHISA-N 448.610 3.944 10 40 IHCB Cc1nnsc1C(=O)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCCO3)CC1 12144207 MTOOIQGHRWHGGY-UHFFFAOYSA-N 440.525 3.522 10 40 IHCB CC(=O)Nc1ccc(OCCn2c(C)c(/C=C3/C(=O)NC(=O)N=C3O)c3ccccc32)cc1 20235123 WDRZYHRYSYVFFM-UHFFFAOYSA-N 446.463 3.577 10 40 IHCB COc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3ccccc3)c2C)N2CCOCC2)cc1 22444743 RRLRBDBBZKYKMN-RUZDIDTESA-N 433.552 3.906 10 40 IHCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 4082652 UUBLHKKQSQBZJU-HJOGWXRNSA-N 443.503 3.812 10 40 IHCB COC(=O)c1cc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc(C(=O)OC)c1 112290567 IVGPQPABALXFGL-UNOMPAQXSA-N 425.416 3.508 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)C2=O)cc1 408989604 UFWMJWQWULFDIB-PDGQHHTCSA-N 447.403 3.789 10 40 IHCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 409147896 WIWIMFBXONUZCD-VCHYOVAHSA-N 431.470 3.694 10 40 IHCB Cc1ccc(C(=O)NN2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)c(Cl)c1 409150048 ZBAJDMFDFXCLEW-PFONDFGASA-N 429.910 3.517 10 40 IHCB COc1ccc(N2CCN(CCCNCc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 15231506 VEBJGUFZAVIZAF-UHFFFAOYSA-N 445.991 3.812 10 40 IHCB COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1 39761929 VXISASIGNKZVKK-UHFFFAOYSA-N 427.976 3.909 10 40 IHCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1 408912516 HYIZVGYZRWKYSA-WQRHYEAKSA-N 435.367 3.969 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)c(C)c1 409128256 SAYIJNPURZBVOU-CPNJWEJPSA-N 446.488 3.834 10 40 IHCB COc1ccc(N2CCN(Cc3nc(N)nc(Nc4cccc5ccccc45)n3)CC2)cc1 54672233 PJCMZIBWRMVLAQ-UHFFFAOYSA-N 441.539 3.681 10 40 IHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)N1CCc2ccccc2C1 409203862 ZGLMFKIYIGHQIU-JCMHNJIXSA-N 447.560 3.908 10 40 IHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 409231958 GMDIFWDHGRXGNA-XNTDXEJSSA-N 446.912 3.506 10 40 IHCB COc1ccc(CCNC(=O)c2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1OC 8869998 NCJHRLHEEPZMHJ-UYRXBGFRSA-N 442.562 3.507 10 40 IHCB CCOC(=O)N1CCN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1 20192773 JVDRQVFPTSFIAT-HXUWFJFHSA-N 426.904 3.852 10 40 IHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)CC 408538178 YYNIEYQCCPNDKV-WJDWOHSUSA-N 442.855 3.721 10 40 IHCB Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=S)N(C)C2=O)c1 408917571 XNSFUBFXCKAUBU-MHWRWJLKSA-N 445.338 3.593 10 40 IHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 409058081 RDCYORREVBKYRP-UHFFFAOYSA-N 425.268 3.626 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OCC)c(OC)c2)C1=O 409221580 SFKWABKSGKZJHP-GXDHUFHOSA-N 444.871 3.812 10 40 IHCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=S 1809326 SFABKDZSTXPBDO-JYRVWZFOSA-N 430.345 3.612 10 40 IHCB COc1ccc(N2CCN(C(=O)CSc3nc(C4CC4)n(-c4ccccc4)n3)CC2)cc1 9672529 TWHJIBQCJLFDNC-UHFFFAOYSA-N 449.580 3.594 10 40 IHCB CCCOc1ccccc1/C=C1/C(=O)NN(c2ccc(I)cc2)C1=O 13562080 VFXAKSVLWISALV-VBKFSLOCSA-N 448.260 3.541 10 40 IHCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCOCCOc1ccccc1C 13942286 JILILTLLZAKMOL-XSFVSMFZSA-N 445.562 3.967 10 40 IHCB COc1ccc(N2CCN(c3ncc(-c4cnccn4)c(-c4ccoc4C)n3)CC2)cc1 19583054 VRMPCKBLPJDZNG-UHFFFAOYSA-N 428.496 3.837 10 40 IHCB COc1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951239 YJCPBPALKGYAIV-UHFFFAOYSA-N 426.590 3.562 10 40 IHCB CN1C(=O)/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)NC1=S 408918652 NGDGNYDXKJVXAF-XDHOZWIPSA-N 447.472 3.584 10 40 IHCB O=C1/C(=C\NNc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 9056967 CNGXQLJPLVRPSF-XFXZXTDPSA-N 448.386 3.970 10 40 IHCB N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 9312409 GUSHGKLVESQADV-OXMFYWCOSA-N 444.432 3.917 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)S1 13892672 ZHDHEMHYAWNDRK-MFOYZWKCSA-N 431.857 3.934 10 40 IHCB CN(C)c1ccc([C@H]2N[C@H](c3ccc(N(C)C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 33929631 AZYNBZDCAGSMDT-YSFYHYPLSA-N 441.532 3.521 10 40 IHCB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102728788 LXPXVPZNTKCSBO-QZNHQXDQSA-N 430.460 3.760 10 40 IHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 223660242 WRUKNIPKCDOPLL-VXKWHMMOSA-N 449.580 3.728 10 40 IHCB CC[C@@H](C)Oc1c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cccc1OC 15013703 HLQNMBMTHNTABU-KAECEXQPSA-N 428.485 3.843 10 40 IHCB COc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222596297 LOGGNXOYPXWLDM-UZQPLGKSSA-N 440.569 3.525 10 40 IHCB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl 260572719 RPCKECCTIGTEPL-HNNXBMFYSA-N 436.961 3.841 10 40 IHCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408585746 HXJTYOBOUFPEBZ-QINSGFPZSA-N 427.428 3.729 10 40 IHCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl 12916951 WRYWWNAFODCNOL-UHFFFAOYSA-N 429.734 3.819 10 40 IHCB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)s1 224244941 IFRZUPVETRYQCS-UHFFFAOYSA-N 444.538 3.555 10 40 IHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ncc[nH]4)c4ccccc34)[C@H]21 1565524605 LRSANEKUXRFYFH-QHCPKHFHSA-N 440.507 3.540 10 40 IHCB COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc(OC)c1OC 6747942 XENKIVHDLRQVQF-FQEVSTJZSA-N 428.529 3.600 10 40 IHCB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 13145485 RVJXPVSONBKMPA-UHFFFAOYSA-N 449.846 3.920 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc(Br)c1O 38162121 GFRMANGEYKMEDZ-QPEQYQDCSA-N 447.241 3.766 10 40 IHCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)nc1 223275997 CROBBQGPKBXCIH-GOTSBHOMSA-N 434.613 3.727 10 40 IHCB CN(C)c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3F)CC2)cc1 13503868 WCRNZEQYRYHKCC-XMMPIXPASA-N 449.578 3.905 10 40 IHCB Cc1oc2c(CN3CCN(c4cnccn4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 26664534 CPMBGAHDDRLOBM-UHFFFAOYSA-N 428.492 3.586 10 40 IHCB O=[N+]([O-])c1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1 2083249 JBSLUQIKROSKQN-SFHVURJKSA-N 435.323 3.528 10 40 IHCB COc1ccccc1NC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819359 PXBLHSTXOMTVHP-WQRHYEAKSA-N 444.534 3.552 10 40 IHCB O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)Nc1ccc(O)cc1C(=O)O 9216147 IPUVVBUFSFNDII-VIZOYTHASA-N 448.909 3.584 10 40 IHCB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 9429789 SWSFZLVFJKSMFE-CYUIRQCWSA-N 446.981 3.994 10 40 IHCB COC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc([N+](=O)[O-])c1 9491545 JTTOAUDUORRCDF-UHFFFAOYSA-N 436.420 3.829 10 40 IHCB O=C1/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 16741260 GXDYGSLVXQIYTB-JXAWBTAJSA-N 448.573 3.696 10 40 IHCB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2nsnc12 19080074 QANCCUWIKLORPV-UHFFFAOYSA-N 433.433 3.536 10 40 IHCB COc1ccc(S(=O)(=O)NCc2ccc(-n3c(C)ccc3C)cc2)cc1NC(C)=O 40158370 WDUPQDXFIZKCOC-UHFFFAOYSA-N 427.526 3.540 10 40 IHCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OC(C)C 408530238 LMKVXORRZNQFBO-ZSOIEALJSA-N 427.320 3.741 10 40 IHCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 409338868 PVRPHTUTDCEJGV-NVMNQCDNSA-N 443.502 3.763 10 40 IHCB COc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c(OC)c1 1251034 ONIDHPRSLSTMSH-CJMVGXJBSA-N 429.519 3.601 10 40 IHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)N2CCc3ccccc32)cc1 10188427 SOUXEMRCOAZEKO-DEOSSOPVSA-N 446.526 3.750 10 40 IHCB COc1ccc(N2CCN(C(=O)CSc3ncc(-c4ccc(F)cc4)[nH]3)CC2)cc1 19298293 WDQODCNJFWFRPY-UHFFFAOYSA-N 426.517 3.665 10 40 IHCB COc1ccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@@H](C)C5)nc4)no3)CC2)cc1 49409660 CSZAXZDVTAGQMM-LJQANCHMSA-N 448.571 3.699 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 223802005 RMQLOSFKMUMEGI-UHFFFAOYSA-N 431.602 3.704 10 40 IHCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409056618 HNCXJLACPJTNFR-RGEXLXHISA-N 426.488 3.942 10 40 IHCB CC[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819398 AIDLJHHBJFATEU-BRYHAGSVSA-N 434.583 3.696 10 40 IHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 16741569 XATQUBSMDIRSMN-UHVIJJLKSA-N 442.610 3.993 10 40 IHCB CN(C)c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 20121804 BKFNTAVUXJMPPG-XMMPIXPASA-N 431.588 3.766 10 40 IHCB COc1ccc(CCN2C(=O)/C(=C\c3ccc(C(=O)O)cc3)SC2=S)cc1OC 35040230 LZHIZSNPSZOWDO-LDADJPATSA-N 429.519 3.846 10 40 IHCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 408800114 KQEMFAVCJGSVLM-RCCKNPSSSA-N 428.444 3.941 10 40 IHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)cc1OCC 409189540 HQTMPIQWMZGDDW-NBVRZTHBSA-N 438.480 3.545 10 40 IHCB COCCN(Cc1c(O)ccc2c(C)c(C)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524729131 FGBIXBWMQSNIMN-SIKLNZKXSA-N 428.573 3.828 10 40 IHCB biogenic CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 32814173 LOIKGVKIRRVHLS-UHFFFAOYSA-N 427.570 3.624 10 40 IHCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 59566379 GOWJBXSMEDUNQP-ZDLGFXPLSA-N 439.464 3.598 10 40 IHCB CCCCN1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Br)ccc2O)C1=O 101997199 OHZDMHXAYPJNCU-GBESFXJTSA-N 445.313 3.801 10 40 IHCB COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 113834668 LXTZSIUHDPVBNW-DEDYPNTBSA-N 445.431 3.644 10 40 IHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 223660303 WRUKNIPKCDOPLL-YADHBBJMSA-N 449.580 3.728 10 40 IHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408902546 JNQFOJWLEFQDKO-WOJGMQOQSA-N 448.366 3.588 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1OC 409174967 WZLQZPLBCWPOKD-UKTHLTGXSA-N 446.912 3.587 10 40 IHCB CCN(CC)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 715272 WHMDNAXBUHFIIE-LVCYWYKZSA-N 435.446 3.637 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)NC2=S)cc1 6508354 XQBSJKLIHZQSHG-WJDWOHSUSA-N 431.311 3.679 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cc4cc5c(cc4[nH]c3=O)OCO5)SC2=S)cc1 9420400 GRTLVZSPZHZDQQ-QGMBQPNBSA-N 438.486 3.671 10 40 IHCB COc1cc(/C=C2/SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc(OC)c1OC 35043410 VKZIGOVQTOSAMD-WOJGMQOQSA-N 427.482 3.753 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408692136 FBLOVQJZOAKOAB-XNTDXEJSSA-N 428.828 3.703 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 409245923 AYHXCSCVDCEUMN-RIYZIHGNSA-N 436.411 3.554 10 40 IHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409390454 FMGZKFWJKBGZFM-XNTDXEJSSA-N 438.783 3.570 10 40 IHCB COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c1 17096510 YZDILZMFJWHNET-BKUYFWCQSA-N 429.501 3.651 10 40 IHCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1cccc(F)c1 51330814 VENMWPDFRBKWJT-FMQZQXMHSA-N 426.450 3.802 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408692778 VDQOMSAIWXIEHD-DEDYPNTBSA-N 435.436 3.578 10 40 IHCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)c1 409190231 QFQSIDRRVJRFMR-CPNJWEJPSA-N 445.500 3.624 10 40 IHCB O=C1CCCN1CCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 8661030 PKKQJLBWRUPEKU-VLGSPTGOSA-N 445.548 3.533 10 40 IHCB CCOc1ccc(N2C(=O)N=C(O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C2=O)cc1 8995104 MEJTZRSTFHVSQT-YKRMCXMESA-N 435.484 3.519 10 40 IHCB CCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 9427352 SPBHEXMNDBGNAL-PCEHLNCXSA-N 442.610 3.706 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(N4CCCCC4)c3C)C(=O)NC2=S)c1 16269094 KJIMMDOFLAYTFB-KGENOOAVSA-N 436.581 3.675 10 40 IHCB Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 95470305 XELSQRYVFXHJRX-FKBYEOEOSA-N 437.451 3.690 10 40 IHCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)cc1 9633133 FOYSJAOYGZPCDA-UHFFFAOYSA-N 447.535 3.561 10 40 IHCB Cc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCCCC1 96003662 KAKYUMCOJIGEKT-UHFFFAOYSA-N 447.576 3.757 10 40 IHCB Cc1ccc(C)c(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 98002887 BXNIRDOKWKKDKM-ODLFYWEKSA-N 440.546 3.663 10 40 IHCB O=C(O)CCCN1C(=O)/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC1=S 102731519 MGRJXQIISCOLAP-NSIKDUERSA-N 436.898 3.683 10 40 IHCB CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 223130706 GSMHVBXWARTSBX-UHFFFAOYSA-N 429.586 3.637 10 40 IHCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC 409173454 NMXPUWSSXFKUKE-AOHITCTBSA-N 440.521 3.712 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(OC)c2O[C@H](C)CC)C1=O 409238182 LYPSCVJFJOMTTJ-PWVLXBNSSA-N 438.480 3.938 10 40 IHCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409351334 TXVPNAATCDVISA-CXUHLZMHSA-N 430.463 3.552 10 40 IHCB CCN(CC)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 1009633 WHMDNAXBUHFIIE-WFXMLNOXSA-N 435.446 3.637 10 40 IHCB CCOc1ccccc1C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 8846228 UPTJUZUYDLDHLV-NRFANRHFSA-N 444.597 3.761 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1Cl 8964192 RLMBWURXWJSWOF-JOCHJYFZSA-N 440.975 3.533 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCc1c[nH]c2ccccc12 8970898 YJXJVUKOQJVUKR-YBFXNURJSA-N 439.537 3.867 10 40 IHCB Cn1c(=O)c2c(-c3ccc(C(F)(F)F)cc3)c3c(nc2n(C)c1=O)-c1ccccc1C3=O 9691224 NCZIGNCRFTVGQG-UHFFFAOYSA-N 437.377 3.529 10 40 IHCB CC1(C)NC(=O)N(CCCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)C1=O 40089705 JQOONGBCQGQREM-KRWDZBQOSA-N 428.558 3.542 10 40 IHCB N=C1/C(=C/c2cccn2Cc2ccccc2F)C(=O)N=C2SC(N3CCCCC3)=NN12 41084773 DHEAVEBHOYDIFZ-MGTNDIQKSA-N 436.516 3.738 10 40 IHCB O=C1C[C@H](c2ccc(O)cc2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96114889 YFCGIFCOYFWNDZ-CQSZACIVSA-N 432.384 3.723 10 40 IHCB biogenic O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 408798456 IJQYWXLJXZWNMH-FYJGNVAPSA-N 432.407 3.777 10 40 IHCB O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 409100918 XFENSLSNRSRHER-UNOMPAQXSA-N 432.307 3.923 10 40 IHCB NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 409210187 IORKKQOVYRDQGR-DHDCSXOGSA-N 449.351 3.719 10 40 IHCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 8870219 UUQUQELBJJXQDE-DHDCSXOGSA-N 447.335 3.808 10 40 IHCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)cc1 9310860 VTUZNVAOKUUZJB-PDGQHHTCSA-N 432.457 3.785 10 40 IHCB O=C(CSCc1ccccc1Br)NCc1ccc(N2CCOCC2)cc1 13649323 IGEKDUAFJZAGAB-UHFFFAOYSA-N 435.387 3.835 10 40 IHCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(F)c1 18137146 ROOZMGFMZVXKTF-QHAWAJNXSA-N 441.414 3.521 10 40 IHCB COc1ccc(N2CCN([C@@H](c3cccs3)c3sc4nc(C)nn4c3O)CC2)cc1 23158278 UKTMRQCVEJWYLJ-SFHVURJKSA-N 441.582 3.787 10 40 IHCB CN(C)c1ccc([C@@H]2N[C@H](c3ccc(N(C)C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 33929628 AZYNBZDCAGSMDT-ZDNVTZCJSA-N 441.532 3.521 10 40 IHCB O=C1/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(O)=NC(=S)N1c1cccc(Cl)c1 38178502 OQSBPJYHHGRUTH-MTMYEVCSSA-N 441.944 3.939 10 40 IHCB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1 224486453 LADDBNMSDNZRGR-UHFFFAOYSA-N 437.565 3.816 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1O 409091735 RRGCQVONBLJRKB-KSSSLANASA-N 444.372 3.934 10 40 IHCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 409098362 PQYFMIFPKAEOFV-QCUKBLKESA-N 440.521 3.712 10 40 IHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 409240812 IDWUITVAPVQYGT-GHRIWEEISA-N 437.908 3.971 10 40 IHCB CC(C)(C)c1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 10113643 JUDNRBPOCILPGI-UHFFFAOYSA-N 443.613 3.667 10 40 IHCB CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C)cc1 12609904 RUKNQFMSDAPHSE-UHFFFAOYSA-N 438.505 3.520 10 40 IHCB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(O)c(O)c1 13071971 OSCNHIAEDLGFLF-AWEZNQCLSA-N 446.912 3.615 10 40 IHCB CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 5584742 GXGCXOZEUOLAIK-HSZRJFAPSA-N 429.586 3.783 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)cc1C 409192198 VNEHJOUUEKYZFB-IYSPOMMRSA-N 447.516 3.735 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc12 409193681 LBLDFPAWFLRKFB-CPNJWEJPSA-N 446.484 3.768 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)C1=O 409237999 JUOZBZQPARUUHV-CPNJWEJPSA-N 430.464 3.554 10 40 IHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 39793978 ACSMUHTVVXGPPH-ZDLGFXPLSA-N 428.535 3.818 10 40 IHCB CC(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 108223918 QCXJXBUUYWBDLP-GDNBJRDFSA-N 448.260 3.540 10 40 IHCB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 409049962 RRYLPZCVZXGZTR-AWNIVKPZSA-N 436.207 3.577 10 40 IHCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 409123196 ABLAUQLFEJQFID-NDENLUEZSA-N 439.541 3.632 10 40 IHCB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCc1ccc(N2CCCC2)cc1 40154263 FPLFZWAMNAROHV-ZDUSSCGKSA-N 436.375 3.546 10 40 IHCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223290299 CIKBXSKVEHNSHA-GOTSBHOMSA-N 435.597 3.723 10 40 IHCB COc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC 13007791 URXPAMNUUCTGQW-QHCPKHFHSA-N 437.584 3.582 10 40 IHCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCc2cccnc2)cc1 13179436 UPBNQYXGMKKASC-QJOMJCCJSA-N 428.492 3.914 10 40 IHCB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1 13668778 KGPGAQAKQRUSIM-UHFFFAOYSA-N 441.597 3.700 10 40 IHCB Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 59139340 ROZWEWOSXYCQCD-UHFFFAOYSA-N 448.504 3.505 10 40 IHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 102031371 UMAMRECRQJXFCC-USJZOSNVSA-N 435.542 3.791 10 40 IHCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408805137 IRUCNXBKKMTGFD-LFIBNONCSA-N 445.269 3.610 10 40 IHCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409056019 FZAXITJVFMNEOV-MOSHPQCFSA-N 436.508 3.962 10 40 IHCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCC3)C2=O)cc1 8820089 UCRBMCJOVZZRMJ-SDXDJHTJSA-N 446.594 3.857 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 9265369 PHYBDYRFYSVCAG-MOSHPQCFSA-N 444.447 3.977 10 40 IHCB O=C(c1ccco1)c1coc2ccc(O)c(CN3CCN(C(=O)c4ccccc4)CC3)c12 526052339 SRPRKSIARFRQEF-UHFFFAOYSA-N 430.460 3.920 10 40 IHCB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cccc2c1C(=O)c1ccccc1C2=O 9463605 LEYALNLUHXWOAB-UHFFFAOYSA-N 426.380 3.631 10 40 IHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCCCC2)N2CCc3ccccc32)cc1 10188421 QETWLDOERUCFFM-VWLOTQADSA-N 448.611 3.812 10 40 IHCB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 12814861 PYQATAFPDNNQRK-UHFFFAOYSA-N 441.380 3.694 10 40 IHCB O=S(=O)(c1cccs1)N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 23486379 XGFNOTOUXNZMEQ-UHFFFAOYSA-N 428.535 3.860 10 40 IHCB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 100867891 NQUPGJZOCGMEGD-HJOGWXRNSA-N 443.503 3.812 10 40 IHCB O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(I)cc1 226855220 RAUDVTTXZIXMDS-UHFFFAOYSA-N 425.247 3.951 10 40 IHCB O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc([N+](=O)[O-])c1 409341701 GEVCNVGMMXQCEG-PJQLUOCWSA-N 431.407 3.638 10 40 IHCB CCOc1ccccc1/C=C1/SC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC1=O 15401566 ZYISMJXGKNOPMP-HMMYKYKNSA-N 438.509 3.786 10 40 IHCB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c1 41085158 RHEDTTUHWOPALF-PLLOTBJKSA-N 448.552 3.775 10 40 IHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N(C)C)cc1 223579842 MVLSYIAXLLEQAD-PKTZIBPZSA-N 435.597 3.520 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)o1 408806676 AXTMXZMONUFTSD-RVDMUPIBSA-N 446.301 3.863 10 40 IHCB Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1C 408868949 QSHUPJLYWCMPCW-UHFFFAOYSA-N 445.338 3.559 10 40 IHCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 9135772 ZBALCNLFOWGXGW-DEOSSOPVSA-N 434.584 3.578 10 40 IHCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 8911465 UTENHOIGZLYNHW-NBVRZTHBSA-N 446.981 3.957 10 40 IHCB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(F)cc1 15811966 VNHAELGPIYADPO-CQSZACIVSA-N 436.443 3.587 10 40 IHCB Cc1ccccc1OCCn1cccc1/C=C1\C(=O)N=C(O)N(c2ccc(F)cc2)C1=O 17196831 UPFODPUXMHHFJO-HMMYKYKNSA-N 433.439 3.885 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 59139529 GZDIYBFBMQXFIX-UHFFFAOYSA-N 444.940 3.835 10 40 IHCB O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 100418515 MUKPFLNQXJJISD-HKBOAZHASA-N 441.414 3.521 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 408740490 LAIMDRZLWKLZLG-UYRXBGFRSA-N 447.403 3.920 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C[C@@H]1CCCO1 409199065 NMUWFIJAOXMKFK-PYJSORCASA-N 441.915 3.599 10 40 IHCB CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 15135125 SACMDQNVPNQMQF-UHFFFAOYSA-N 427.501 3.623 10 40 IHCB COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(C)C1=O 26743491 UTOBCGJAZITVOH-PDGQHHTCSA-N 446.506 3.892 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc2oc(=O)ccc2c1 33544833 SUMDEIZSAVVTMH-LICLKQGHSA-N 440.477 3.772 10 40 IHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=S)N=C1O 33913886 QHKWERGKKORRBD-KTZOAPACSA-N 438.896 3.893 10 40 IHCB CCOCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 112292812 ILVCPGYULLVBFF-PGMHBOJBSA-N 438.484 3.645 10 40 IHCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408916317 BTBGMJBYCLYZOM-GZTJUZNOSA-N 437.408 3.825 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)NCCCn1ccnc1 9187773 QDKNYTZXLYEVMG-GHRIWEEISA-N 449.001 3.724 10 40 IHCB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 9233708 LZLKLIFAEXZODA-CNHKJKLMSA-N 442.562 3.864 10 40 IHCB COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2n[nH]c(=O)c3ccccc23)cc1 9671053 YLJXEJBHFJMAMF-UHFFFAOYSA-N 428.492 3.845 10 40 IHCB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 10188435 MUXLYIIHUGHJMV-RUZDIDTESA-N 442.563 3.920 10 40 IHCB N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 41076310 ROAPYHVOQRTWII-VUMFNOJBSA-N 434.359 3.567 10 40 IHCB COc1cccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1OC 1239281 WEXVYISECLIUJO-YSKWHIJTSA-N 429.519 3.601 10 40 IHCB CCCN1C(=O)/C(=C\c2c(OC)cc(OC)cc2OC)C(=O)N(c2ccccc2)C1=S 8396137 MNJBHQOTFKSCDD-NBVRZTHBSA-N 440.521 3.666 10 40 IHCB O=C1/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(O)=NC(=S)N1CCC1=CCCCC1 8974883 BPYSPHOCVLMALG-XWMMGPHDSA-N 439.585 3.971 10 40 IHCB Cc1ccccc1N1CCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CC1 23935336 PXVKMLOLEVTWQE-UHFFFAOYSA-N 445.563 3.648 10 40 IHCB CN1CCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCCCC3)ccc21 13007743 YINPEUXAGMBZJK-HSZRJFAPSA-N 431.536 3.742 10 40 IHCB CN(C)c1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)cc1 17333449 WWEBNNNDKLELMY-UHFFFAOYSA-N 448.180 3.756 10 40 IHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2Br)c(Cl)c1 408871702 ZENTXFYTFWRFEE-UHFFFAOYSA-N 435.730 3.608 10 40 IHCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409140191 GAIPAGWKVYIBKG-VCHYOVAHSA-N 431.470 3.694 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)O 409215308 XEBJRGADPLMENP-CPNJWEJPSA-N 445.500 3.624 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OCC)c1 409237308 HWUSANFOWOOYHV-RVDMUPIBSA-N 430.913 3.969 10 40 IHCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 2428381 HAVDGHARFZYLBM-WQRHYEAKSA-N 443.575 3.581 10 40 IHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)N[C@@H]1CCCc2ccccc21 9597183 RCNZMKYIDWOLDG-JOCHJYFZSA-N 439.467 3.813 10 40 IHCB COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(=O)O 16292297 OAHYMESOUMYWEA-ZDLGFXPLSA-N 429.519 3.868 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)C(=O)NC2=S)c1 409196768 XONRTGBEBPRVQH-JLDPKJTDSA-N 437.565 3.732 10 40 IHCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S 409342642 CAMXRFRBHHEXFC-LDADJPATSA-N 428.535 3.934 10 40 IHCB COc1ccc(-n2c(C)cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2C)cc1 25458410 PETLQWJKBISINL-JOCHJYFZSA-N 439.581 3.968 10 40 IHCB COc1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(OC)c1OC 41076372 NVZMIYUQNJNCCT-CKFBTKOKSA-N 428.514 3.912 10 40 IHCB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)n1 69535304 TUTWIHLHMXURCW-OAQYLSRUSA-N 448.523 3.918 10 40 IHCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 222681528 LUSOUDBCKAUADL-ORYQWCPZSA-N 439.541 3.806 10 40 IHCB C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 260770943 VFQDVCZPAAHOHI-SELNLUPBSA-N 443.613 3.733 10 40 IHCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9165260 WYSLUJGBYUTZPP-RUZDIDTESA-N 448.611 3.968 10 40 IHCB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 9762242 FZNLCSJLMDSMQO-DHDCSXOGSA-N 425.940 3.905 10 40 IHCB CCN1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 16732608 QSWUEUSTAGNWAW-ATVHPVEESA-N 436.562 3.836 10 40 IHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408892140 GNUCVOAWURLQRC-NSIKDUERSA-N 436.302 3.897 10 40 IHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc2ccccc2[nH]1 1156157 QUIABJMHAMOHIV-XNTDXEJSSA-N 426.295 3.762 10 40 IHCB Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 2289851 YORROKSJHNROQT-WQRHYEAKSA-N 426.519 3.954 10 40 IHCB CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCc4ccc(N(C)C)cc4)CO[C@H]23)cc1 3841826 WKEYOIFMHKEGNJ-OLKYXYMISA-N 439.556 3.749 10 40 IHCB biogenic,in-vitro CN1CCCc2cc([C@H](CNC(=O)C34CC5CC(CC(C5)C3)C4)N3CCOCC3)ccc21 13008279 QOKCWIUMQJRQFY-KSUQMOORSA-N 437.628 3.775 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OCC(N)=O 104188936 UDVHWWSAWXPOPT-VIZOYTHASA-N 434.279 3.672 10 40 IHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 408592227 LVIXSQFGZKXQMD-LPYMAVHISA-N 445.475 3.650 10 40 IHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 408955703 YQHIMDBUSXEFNN-KGENOOAVSA-N 431.517 3.934 10 40 IHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 1214163 PILMFFOODRPNRV-GDNBJRDFSA-N 429.270 3.823 10 40 IHCB O=C([C@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c2ccccc2O1)N1CCCCC1 14135526 SNPNRABOQFEVNJ-XIQMRYHBSA-N 442.519 3.692 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)NCCc1c[nH]c2ccccc12 33582121 ZTEMUVMWVFHHPH-ODLFYWEKSA-N 439.537 3.867 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(Cl)cc4s3)C2=O)cc1C 408531509 OHPVIMUSNPNLQS-NTEUORMPSA-N 426.885 4.145 10 40 IHCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409246167 FXNMXTZAYVGITC-UDWIEESQSA-N 434.883 3.944 10 40 IHCB COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1 6461777 AREHQCXILQGCLL-ZTPJVXOPSA-N 436.493 3.792 10 40 IHCB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccccc2)[C@H](c2ccccc2O)C1 9418920 UTEPDQTXASCJSN-NRFANRHFSA-N 435.505 3.755 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)OC)o3)C2=O)cc1 9462800 LBSQCECICHRCIQ-ZHZULCJRSA-N 444.443 3.962 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1Cc1ccccc1 408947691 CVGQBZVCVOFJGA-RGVLZGJSSA-N 443.459 3.548 10 40 IHCB CCOC(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(N2CCOCC2)s1 16687753 YDNQRJGVVKWOAK-VHEBQXMUSA-N 435.418 3.993 10 40 IHCB Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)cc1 218233774 YDJUCTVNVFMXJP-UXHICEINSA-N 443.613 3.875 10 40 IHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1 409249727 OEBJHHYJKBZTQQ-XSFVSMFZSA-N 431.517 3.934 10 40 IHCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 2381952 FLDAFNMZWFCFFP-GZTJUZNOSA-N 436.420 3.615 10 40 IHCB CN(C)c1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 9471615 UJGPSLIWRYIYQV-JTPHSUOKSA-N 432.973 3.635 10 40 IHCB O=C(NN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=S)c1cccc([N+](=O)[O-])c1 11565592 AQSBKNPFHJKEME-RIYZIHGNSA-N 430.423 3.685 10 40 IHCB O=[N+]([O-])c1cc(/N=N\c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c(O)c([N+](=O)[O-])c1 104389406 FTUJGONXWXGSFD-ZCXUNETKSA-N 434.342 3.730 10 40 IHCB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 409061708 GJQCFTFBYHCEMK-PDGQHHTCSA-N 429.929 3.554 10 40 IHCB CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)SC1=S 409123299 FWPBCCKJLANTOE-ZDLGFXPLSA-N 425.535 3.772 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1Cl 409239837 FNIGFCXNPLORRA-HUSDYWJVSA-N 427.869 3.944 10 40 IHCB O=C1C[C@H](c2cccc(O)c2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96115801 VYPGEEBTYHQYIS-CQSZACIVSA-N 432.384 3.723 10 40 IHCB biogenic CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)C(=O)NC2=S)c1 408743774 YBWMJUYSYABYSU-AUWJEWJLSA-N 437.304 3.929 10 40 IHCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccccc1 409209436 FLMYBFNIQVKCTJ-BKUYFWCQSA-N 432.455 3.765 10 40 IHCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)cc1 409241869 PAOBPUUKKZGUSI-GERLSISUSA-N 437.521 3.992 10 40 IHCB CCCC[C@@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 20841646 RVFWGDGROPPTRP-TVJQZGFISA-N 445.560 3.765 10 40 IHCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1 408912230 DRLYSQGCXYGIDE-WOJGMQOQSA-N 435.367 3.969 10 40 IHCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 8818987 XMRFZDBGZDXGBX-BPKVKKHESA-N 448.478 3.928 10 40 IHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 9264583 WUESEWPZBFOPKB-LPYMAVHISA-N 444.491 3.640 10 40 IHCB C[C@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 9348075 XJGTUTNVJKYEDJ-RYGPPXAVSA-N 430.595 3.596 10 40 IHCB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1C 10113187 VBAKLTHYFGIDMY-FQEVSTJZSA-N 443.613 3.765 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(OC)c1OC 13602616 HWVSETMSQJDWQX-AUWJEWJLSA-N 430.844 3.870 10 40 IHCB CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2CC(=O)OC)cc1 112292126 ZTLKADJIZMOROF-STZFKDTASA-N 439.443 3.654 10 40 IHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 409123209 AJMMSTLFKRBJMU-RIYZIHGNSA-N 430.913 3.805 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(ccn3[C@@H](C)C(=O)O)c2)C1=O 409195860 WKWVCTYWMVFEGH-RAOBZKRQSA-N 431.448 3.516 10 40 IHCB COc1ccc(N2CCN(C(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)CC2)cc1 9612769 SEJQPBGEQJPQMK-QFIPXVFZSA-N 443.975 3.842 10 40 IHCB CC(C)c1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 10113143 AAGFNNHEWRTDTR-UHFFFAOYSA-N 443.613 3.883 10 40 IHCB CCCCNC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 12223370 FBZXFKSCYRIIOE-KAMYIIQDSA-N 427.389 3.957 10 40 IHCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O 409122740 BILPMGBSSHEWLM-XDHOZWIPSA-N 428.510 3.872 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)C(=O)NC1=S 9311844 GHDQVUQZWGXGRM-HMMYKYKNSA-N 431.517 3.880 10 40 IHCB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c(C)n1-c1ccc(F)cc1 15811976 BLZYWNLWKSJSNG-ZDUSSCGKSA-N 429.473 3.578 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)c(Br)c2)C1=O 16162431 CVGKGUHREDMDNU-UVTDQMKNSA-N 429.270 3.687 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccccc3Cl)c3nnnn3C(C)C)CC2)cc1 35290636 FWHFMEYJVSUGLV-OAQYLSRUSA-N 426.952 3.828 10 40 IHCB O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830658 AJVDRKKXFSHMKR-GIDUJCDVSA-N 431.407 3.638 10 40 IHCB O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C\c2ccco2)SC1=S 1272573 LKHSLIYQOLTPND-NTUHNPAUSA-N 429.306 3.898 10 40 IHCB CCCCCOc1ccccc1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 26503253 YIVPXVQEAHDHSK-YHZJOHHESA-N 425.597 3.644 10 40 IHCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 223412310 OINBJUMJAQRMCB-UHFFFAOYSA-N 429.586 3.701 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 408915094 UPSBIVJYIWIBCZ-CXUHLZMHSA-N 444.940 3.883 10 40 IHCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408993005 UMKSLFXVGAXPHH-UHFFFAOYSA-N 433.439 3.562 10 40 IHCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 2416812 IURWFACUTLKTKJ-YVLHZVERSA-N 429.548 3.571 10 40 IHCB CCN1C(=O)/C(=C2/Sc3ccc(S(=O)(=O)C(F)(F)F)cc3N2C)SC1=S 6078559 LBKOKQPFABHBRZ-BENRWUELSA-N 440.515 3.571 10 40 IHCB COc1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1OC 35042566 AUSYTYUJAMGLLR-XSFVSMFZSA-N 427.501 3.635 10 40 IHCB C/C=C/c1ccc(OC[C@@H](O)CN2CCCN(c3ccc(OC)cc3)CC2)c(OC)c1 84136292 AAVBJGRKFOVMSW-LHXJMTLCSA-N 426.557 3.689 10 40 IHCB COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223618397 ACOSYRWPOSSWIU-XZOQPEGZSA-N 436.581 3.853 10 40 IHCB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O 409236620 SIRFGMOVSFSDAG-CPNJWEJPSA-N 435.549 3.744 10 40 IHCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2O)SC1=S 618255037 NVELNQQYHPFUAG-OKSBFYSISA-N 428.535 3.680 10 40 IHCB O=C(CN1CCN(Cc2c(O)ccc3ccncc23)CC1)Nc1ccccc1C(F)(F)F 22789993 FQUSRPXBTDQOKE-UHFFFAOYSA-N 444.457 3.716 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)c1O 27520674 GHWTXVDZEMMKFL-ZSOIEALJSA-N 431.242 3.978 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 408936921 LILGIKXOWIYWOM-STZFKDTASA-N 443.415 3.840 10 40 IHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 980961 NZKMTESAPSYWSY-HJPCULJESA-N 429.450 3.941 10 40 IHCB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 9764064 DLRZLVYGUABPCZ-SFHVURJKSA-N 429.318 3.782 10 40 IHCB COc1ccc2c(c1)CCCN2CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 22015304 KTWYACAWZJSADM-UHFFFAOYSA-N 431.418 3.686 10 40 IHCB Cc1cc(C(=O)N2CCC[C@@H]2c2nncn2C)c(C)n1-c1cccc(Br)c1 95453607 BNICRWWCAKTNBD-GOSISDBHSA-N 428.334 3.962 10 40 IHCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCCC1 8820008 QBAQSSRXSDUOGM-AQTBWJFISA-N 432.567 3.799 10 40 IHCB O=c1oc2ccccc2c(O)c1C(c1ccc(O)c(O)c1)c1c(O)c2ccccc2oc1=O 9779154 ORWZLFWKVFUBIL-UHFFFAOYSA-N 444.395 3.902 10 40 IHCB biogenic CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 222681474 LUSOUDBCKAUADL-TYCQWZJGSA-N 439.541 3.806 10 40 IHCB COc1ccc(N/C=C2/C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)c(OC)c1 9471612 XJJOHXUPRLKFRK-LGMDPLHJSA-N 433.489 3.601 10 40 IHCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br 409255708 ZLGQWIHMKMGBTP-KMHUVPDISA-N 444.285 3.688 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 8994335 JQYWZPBARKQBKM-CHHVJCJISA-N 448.909 3.584 10 40 IHCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc(Br)cc1 9233798 IAEOGNUPLFWJQI-OVCLIPMQSA-N 449.282 3.535 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCc1ccc(O)cc1 9430245 XNVRMNZDQNMSKN-BOPFTXTBSA-N 432.954 3.606 10 40 IHCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1C#N 108289718 TXNUNVPOLVZREF-STZFKDTASA-N 425.444 3.607 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC 408804260 WOHGKKBLEZFBKN-OQLLNIDSSA-N 430.844 3.509 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 1183392 HFDHKJFCNCJVQF-HMMYKYKNSA-N 440.590 3.607 10 40 IHCB Cc1cccc(C)c1OCCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 2218491 NUGZUDNOFXCMKH-UHFFFAOYSA-N 431.492 3.771 10 40 IHCB CCCC1(CCC)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 3459407 PSZFRKQITWAICB-UHFFFAOYSA-N 439.512 3.896 10 40 IHCB O=C1/C(=C/c2ccccc2C(F)(F)F)SC(=S)N1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 12958927 BEVQWIKXPPOJJL-MFRBPKMGSA-N 440.468 3.997 10 40 IHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409021945 AVJIOOQSYQSUJH-VGOFMYFVSA-N 434.876 3.718 10 40 IHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409240490 KWRKLUZKJDBUMO-OQLLNIDSSA-N 438.783 3.570 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1cccc(F)c1 8862314 NYPOKHNKPGYIEY-RUZDIDTESA-N 431.467 3.809 10 40 IHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(C(=O)OC)=C2C)cc1 8872606 KCJUWELTNQTAOT-QNGOZBTKSA-N 434.492 3.807 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OC 27530607 ZAWUSNWLCGWFLW-RQZCQDPDSA-N 432.498 3.683 10 40 IHCB CCN(c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 224508189 KKFZEOSUYIEUNX-UHFFFAOYSA-N 437.565 3.898 10 40 IHCB CN(C)c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1 22928622 SREUMNPXEXMSSB-RUZDIDTESA-N 445.615 3.761 10 40 IHCB COc1ccc(CCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1OC 33319593 XDQVYSKSEOCLCY-YBFXNURJSA-N 429.519 3.876 10 40 IHCB Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@H](C)c3cccc(S(N)(=O)=O)c3)c2C)c1 84213240 SXGSRZKMKYGVMQ-QGZVFWFLSA-N 425.554 3.883 10 40 IHCB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 9135719 ADCJBMJTIDYVKA-XMMPIXPASA-N 448.611 3.886 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(C(=O)O)c(O)c1 9215945 XFIRTTFYEQNLBC-CHHVJCJISA-N 448.909 3.584 10 40 IHCB COc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 26771414 HQGKNONFPTVCHD-GYZOOYGHSA-N 429.519 3.601 10 40 IHCB CNc1nc([C@H]2CCCCN2Cc2ccc(N3CCCC3)cc2)nc2c1CCN(C(C)=O)C2 72376565 LPUVZNKRTKFZRZ-XMMPIXPASA-N 448.615 3.750 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 409229863 AQWBOOPXZUVWOW-MOSHPQCFSA-N 436.468 3.687 10 40 IHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(O)c2)SC1=S 618255015 MRMJXDGCNWGWIC-XIDKLXSXSA-N 428.535 3.680 10 40 IHCB CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCn3ccnc3)C2=O)cc1 9187750 RTYVNRXOXPEONS-RGEXLXHISA-N 442.610 3.804 10 40 IHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)N2CCc3ccccc32)cc1 10188426 SOUXEMRCOAZEKO-XMMPIXPASA-N 446.526 3.750 10 40 IHCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1c[nH]nc1-c1ccccc1 17248398 PNTOMMLQSWKCKM-QNGOZBTKSA-N 429.549 3.865 10 40 IHCB COc1ccc(N2CCN(C[C@@H](O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1 33541675 KNWFGOVAOQCELR-HXUWFJFHSA-N 428.573 3.563 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 408740447 KTAFDSJSSWRZBC-CPNJWEJPSA-N 446.415 3.710 10 40 IHCB CCOC(=O)COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC 409200081 GOZXYCRAYPZYKE-WQRHYEAKSA-N 446.550 3.593 10 40 IHCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br 409255704 ZLGQWIHMKMGBTP-DGGAMASNSA-N 444.285 3.688 10 40 IHCB COc1ccc(-n2c(C)cc(C(=O)Cn3nnc(-c4ccc(OC)c(OC)c4)n3)c2C)cc1 9639171 GPUCUEIAPSZYMD-UHFFFAOYSA-N 447.495 3.656 10 40 IHCB CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 9870967 LNTFMULERXHLDK-UHFFFAOYSA-N 443.547 3.825 10 40 IHCB CN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(O)=NC1=S 96477275 KVJUYALAGOOLPL-LICLKQGHSA-N 436.468 3.516 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC 107760626 CUNTXCBFOCSHSK-STZFKDTASA-N 437.492 3.628 10 40 IHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 222725546 BERKBRNSQJOYHU-BJKOFHAPSA-N 447.608 3.928 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 2239521 WTCZJJJVJVTBLJ-UHFFFAOYSA-N 432.835 3.501 10 40 IHCB COc1cccc(/C=C2/SC(=S)NC2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9144549 QXXMTLMMPXRJJU-VGOFMYFVSA-N 433.423 3.793 10 40 IHCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15996538 SWLLMWRMWZRRET-MYGLTJDJSA-N 448.494 3.839 10 40 IHCB Cc1ccc(COc2ccc(/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)cc2)cc1 27533487 QRZGVHKXTXDEBQ-LDADJPATSA-N 449.575 3.663 10 40 IHCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@@H](C)C(=O)NCCCc2c[nH]nc2C)c1 95397408 XODBRFGDYHISBB-QGZVFWFLSA-N 435.572 3.549 10 40 IHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 169682284 PFRSABFPMWBXNL-TZRRMPRUSA-N 427.504 3.799 10 40 IHCB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 1237744 ZPYFVSXRUMBRHG-WQRHYEAKSA-N 426.519 3.954 10 40 IHCB CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870196 SKMDNRTXDZVRRV-ODSIWJHVSA-N 446.594 3.840 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 9188493 NYVBRGGEEJKEEF-WQRHYEAKSA-N 445.518 3.963 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCCC3)ccc21 13008245 HWSZTWYQYKHPSQ-QHCPKHFHSA-N 431.536 3.742 10 40 IHCB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3cc(C)n(-c4ccccc4)c3C)c(=O)c12 19432056 PTNMKDRKTRWBER-UHFFFAOYSA-N 433.464 3.765 10 40 IHCB CC(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22665702 KHFQIHRIJCTMHO-XMMPIXPASA-N 426.580 3.917 10 40 IHCB COc1cc(/C=C2/SC(=S)N(CCCCCOC(=O)O)C2=O)cc(OC)c1OC 33710096 LQDWUFWSRMUWPX-RVDMUPIBSA-N 441.527 3.779 10 40 IHCB CN1C(=O)C(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)N(C)C1=S 59140015 NKLHAGLHDYXBIH-UHFFFAOYSA-N 445.338 3.627 10 40 IHCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)N(C)C1=S 59140044 MZEKHXTUTKJURY-UHFFFAOYSA-N 445.338 3.627 10 40 IHCB C[C@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 218287942 YWCMSIHBFAIVBS-HSALFYBXSA-N 443.613 3.955 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(O)cc1 409019697 WGZJMWWNNFNMJN-RGVLZGJSSA-N 435.480 3.770 10 40 IHCB O=C1N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C(=O)N1c1ccccc1Cl 8995867 SRMQPPJTSNXABZ-VOGRQWBCSA-N 425.876 3.774 10 40 IHCB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1 13041846 LMQQMRDVVYEQLV-UHFFFAOYSA-N 437.565 3.549 10 40 IHCB CCOc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)sc2c1 13601915 VYOKDKMZVJUVOS-UVTDQMKNSA-N 442.884 3.927 10 40 IHCB COC(=O)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003862 JTKLPYLMHIZHRC-UHFFFAOYSA-N 446.912 3.516 10 40 IHCB O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1 107833389 GDYSLBBQMYLLGU-ZHZULCJRSA-N 447.878 3.819 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc12 408955979 VKYDESPSHDKQCO-WOJGMQOQSA-N 430.416 3.634 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)c1 409020106 LXKOUWYJNOSODN-DEDYPNTBSA-N 446.488 3.834 10 40 IHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(OC)c1OC 2259862 ODFIFVLULHTFIO-BOPFTXTBSA-N 444.534 3.567 10 40 IHCB CCOc1ccccc1/C=C1\SC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC1=O 9209871 ZYISMJXGKNOPMP-HKWRFOASSA-N 438.509 3.786 10 40 IHCB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260577885 NYVLPQAZSLBFKX-VQTJNVASSA-N 443.613 3.729 10 40 IHCB CC(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C(=O)NC2=S)cc1 409223219 DOZYGTMKZPXSAQ-YBFXNURJSA-N 447.516 3.681 10 40 IHCB COc1cccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(OC)c3)C2=O)c1 1190973 GLVOMFOLOXGDJZ-LDADJPATSA-N 428.535 3.934 10 40 IHCB CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccc(N2CCOCC2)cc1 11193364 FUOMHVPISHTBCP-UHFFFAOYSA-N 443.396 3.736 10 40 IHCB CCOC(=O)N1CCN([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1 20192775 JVDRQVFPTSFIAT-FQEVSTJZSA-N 426.904 3.852 10 40 IHCB C[C@@H]1CN(c2ccc(CNC(=O)c3csc(-c4ccccn4)n3)cc2F)C[C@@H](C)O1 58433044 XLBQZWOAXWXOFP-HUUCEWRRSA-N 426.517 3.888 10 40 IHCB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 9135655 CHJBBKNZEBCEGR-XMMPIXPASA-N 434.584 3.523 10 40 IHCB CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008040 XOOHYZFPMDINCR-XMMPIXPASA-N 434.584 3.523 10 40 IHCB COc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 32955253 FMVJIJASQCLSJR-OAQYLSRUSA-N 427.932 3.917 10 40 IHCB biogenic COc1ccc(N2CCN(c3nccn4nc(-c5ccc(OC)c(OC)c5)cc34)CC2)cc1 67285346 WAYZBKDBYLCGIH-UHFFFAOYSA-N 445.523 3.749 10 40 IHCB Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)c1 101117309 XFERLAHJCNXKPM-BDTNDASRSA-N 443.499 3.818 10 40 IHCB C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCCCC2)cc1 225681660 LORHRABRFJCWQV-HNNXBMFYSA-N 431.583 3.630 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(F)cc1 408692056 CJNIFXIWVKGQSO-XDHOZWIPSA-N 438.455 3.818 10 40 IHCB CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)N=C=C3I)CC1 1569990189 ZJRQMRAIMSQFHV-UHFFFAOYSA-N 425.270 3.834 10 40 IHCB C[C@@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 9253638 DJVIYPBCLKBNMV-GIRDLMQZSA-N 439.002 3.693 10 40 IHCB COC(=O)c1ccc(OC[C@@H](O)CN(Cc2ccccc2O)C2CCCCC2)c(OC)c1 12633154 AVQKDGNGUDLESL-NRFANRHFSA-N 443.540 3.762 10 40 IHCB COc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1OC 44169831 CRWINFVOGJDLHQ-UHFFFAOYSA-N 442.537 3.729 10 40 IHCB CN(C)c1ccc(CNC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1 49401894 WEFXFQGSCFFECX-UHFFFAOYSA-N 431.540 3.868 10 40 IHCB CCN(CC)c1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2cn3cc(C)ccc3n2)cc1 1565551296 LKTSEACMBAZOIQ-ZEQRLZLVSA-N 431.584 3.864 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(N)=O 9188587 JBFVRQGXBRFMPD-ZDLGFXPLSA-N 428.535 3.582 10 40 IHCB COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccc(N(C)C)cc3)C2)c1 95532094 ULGSJXWHXRHYQE-QFIPXVFZSA-N 439.512 3.702 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccccc2)C1=O 408535929 PDJOARQHVYAODT-CYVLTUHYSA-N 426.428 3.881 10 40 IHCB NC(=O)c1ccsc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 29072298 DFXJCLALZIJZAJ-HNNXBMFYSA-N 442.566 3.620 10 40 IHCB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102728796 LXPXVPZNTKCSBO-MQSCRBSSSA-N 430.460 3.760 10 40 IHCB COCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409201214 KPNSYXSJLCXRRE-WQRHYEAKSA-N 447.944 3.546 10 40 IHCB Cc1cc(C(=O)COc2ccc(Cl)cc2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 19042649 XJENTKVJZCXMCH-UHFFFAOYSA-N 426.856 3.837 10 40 IHCB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 219012792 NYVLPQAZSLBFKX-WOJBJXKFSA-N 443.613 3.729 10 40 IHCB CN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2207132 ZXPWLQVAAQZWQR-UVTDQMKNSA-N 429.910 3.971 10 40 IHCB COc1cc(O)c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1OC 95446133 WCNUNJDWWMFMEV-UHFFFAOYSA-N 431.842 3.799 10 40 IHCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1 408948749 GGUHFMDVEXIHAP-WOJGMQOQSA-N 444.399 3.544 10 40 IHCB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC 9851166 VPBGJAPJGXFYTO-HXUWFJFHSA-N 439.512 3.702 10 40 IHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCCC3)nc12 16737445 BVFGUOVSORMADL-LGMDPLHJSA-N 440.594 3.747 10 40 IHCB CCOC(=O)c1c(C)n(C)c2cc(CN(C)C)c(O)c(S(=O)(=O)c3ccc(C)cc3)c12 20437078 WWSMKKWCPCYZGO-UHFFFAOYSA-N 444.553 3.572 10 40 IHCB Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408534399 LUZXAXQXONKNFT-MASHYDRFSA-N 444.487 3.865 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1O 8456904 HCNABEKBXPUTBP-VGOFMYFVSA-N 431.242 3.668 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 18068722 KTWZKNQVFJGNCP-YSFYHYPLSA-N 436.552 3.828 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccncc4)SC3=NC2=O)c(C)n1Cc1ccco1 13539854 JTBZRQAGOLSERP-OOEDSJJISA-N 430.493 3.809 10 40 IHCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 9135773 ZBALCNLFOWGXGW-XMMPIXPASA-N 434.584 3.578 10 40 IHCB COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)c1 18208812 SMJWFWXIGJENIN-LGMDPLHJSA-N 433.489 3.601 10 40 IHCB CCOC(=O)C1=C(COCCN=[N+]=[N-])NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl 19228820 ORRUHLWSVNVRGO-QGZVFWFLSA-N 434.880 3.618 10 40 IHCB in-vitro COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)cc1 41085143 JWBRVQLFNYSKHX-RYEIUNSYSA-N 448.552 3.775 10 40 IHCB CCN1C(=O)/C(=C/c2cc(Cl)cc(I)c2O)SC1=S 107875708 XODIXLQVZSBUQA-WTKPLQERSA-N 425.700 3.871 10 40 IHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1Cc1ccccc1Cl 408874612 CMWSZVNLXVUTFD-UHFFFAOYSA-N 435.730 3.608 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)ccc1O 409054530 BHNCBVOCESUURF-BOPFTXTBSA-N 439.464 3.685 10 40 IHCB COc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 1236401 HQGKNONFPTVCHD-PWDRBQJJSA-N 429.519 3.601 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(OC)c3)C2=O)cc1 8819083 PNVCEPOJFPLPPH-WQRHYEAKSA-N 428.535 3.934 10 40 IHCB CCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 8913990 UYFCZDSUPGOAJS-DSWHRGLISA-N 442.610 3.788 10 40 IHCB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 9960642 QFUQKGPSXPVDHN-HBIYDYFMSA-N 429.428 3.947 10 40 IHCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1Br 10113204 YSMOOPRZKHDOGR-UHFFFAOYSA-N 439.375 3.927 10 40 IHCB COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c(OC)c1OC 13724790 SZRFMHWZONDDFY-OAHLLOKOSA-N 438.480 3.888 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(OC)c1OC 96935959 FJDQUJLHHJBUFW-RQZCQDPDSA-N 445.518 3.843 10 40 IHCB CCCCCCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 408537104 CDGBEXKSIBJZJC-UHFFFAOYSA-N 439.306 3.556 10 40 IHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Cl 409190550 ZHDLBBFXKQYTRL-OQLLNIDSSA-N 444.896 3.657 10 40 IHCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1 8727934 QMYNDRZICXXJNN-UHFFFAOYSA-N 449.536 3.621 10 40 IHCB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)N2CCCc3ccccc32)S1(=O)=O 219195932 GEGAAVDVFBIPOF-UHFFFAOYSA-N 442.537 3.584 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 408695805 ZTFFONSPUKICJK-SFQUDFHCSA-N 428.286 3.644 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 9907482 VWLLUXFHKPGMIS-OVCLIPMQSA-N 448.903 3.713 10 40 IHCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1Br 13676019 VBDKHSGNBLCGMI-UHFFFAOYSA-N 425.348 3.536 10 40 IHCB CN(C)c1ccc([C@@H]2N[C@@H](c3ccc(N(C)C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 217354550 AZYNBZDCAGSMDT-MYGLTJDJSA-N 441.532 3.521 10 40 IHCB COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408965329 KFZCSMXKYDVROE-GFJWLWTISA-N 427.254 3.680 10 40 IHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 6997578 UAOWGGVBPRFYLU-VBKFSLOCSA-N 444.285 3.699 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 9263187 IZHGERQOEQNNMD-AQTBWJFISA-N 439.512 3.656 10 40 IHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(Br)o1 408967208 QSNYEMCEIZEFSK-RMKNXTFCSA-N 429.654 3.666 10 40 IHCB C/C(NCCc1c[nH]cn1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 8695080 BQFPVIRGCMWTSG-HMMYKYKNSA-N 428.521 3.877 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 23377648 IYTYRMIYZIODMT-UHFFFAOYSA-N 448.533 3.548 10 40 IHCB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 102025771 DIMFTUHFTPGNFD-RUUSSUOPSA-N 449.569 3.893 10 40 IHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccccc1 408956429 WSLCPYLPDCXCKC-XDHOZWIPSA-N 442.427 3.661 10 40 IHCB O=C(O)c1c[nH]c2ccc(-n3c4c(c5ccccc5c3=O)C(=O)c3ccccc3-4)cc2c1=O 604406196 YJJBVTSLHGWZCG-UHFFFAOYSA-N 434.407 3.742 10 40 IHCB biogenic Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138459 HOOWQSPWADVPBL-DEOSSOPVSA-N 448.611 3.968 10 40 IHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S 9264474 ZTRXIONHXTWHSY-DEDYPNTBSA-N 431.517 3.939 10 40 IHCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 21124643 AALKOOKRHINYOL-UHFFFAOYSA-N 440.500 3.683 10 40 IHCB CC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1O 61983844 XEISJILIEWUXSU-JOCHJYFZSA-N 435.505 3.891 10 40 IHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccn1 223216064 HEJXPIUCXXKROS-XZOQPEGZSA-N 434.613 3.808 10 40 IHCB CSc1nsc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 9227651 AYEMSSYQHJIBMA-UHFFFAOYSA-N 427.532 3.766 10 40 IHCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 13686520 MUQKEKLFCIYMFW-DZBQEORWSA-N 438.480 3.892 10 40 IHCB CN1CCN([C@@H](CNC(=O)Cc2cccc3ccccc23)c2ccc(N(C)C)cc2)CC1 22589305 DQTVRPIEYHHIOT-SANMLTNESA-N 430.596 3.553 10 40 IHCB CCCCOC(=O)c1cc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)ccc1Cl 27501318 FDPSCDLGUJBQOO-UHFFFAOYSA-N 444.871 3.991 10 40 IHCB COc1ccc2ccc(O)c(CN3c4ccccc4CC[C@H]3C(=O)N3CCN(C)CC3)c2c1 83881684 KRXCQNZGLDKOGL-VWLOTQADSA-N 445.563 3.649 10 40 IHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cs1 409238639 LJDRJBKFMGLNLN-UXBLZVDNSA-N 427.732 3.995 10 40 IHCB COC(=O)c1ccccc1NCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 8781442 QGPQFECQFOYCGU-MHWRWJLKSA-N 429.479 3.652 10 40 IHCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 108043871 BTPJWHCDOUNDGX-ZHZULCJRSA-N 445.431 3.644 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3ccccc3)CC2)cc1 13504586 AVPPAMCZJVYGQY-VWLOTQADSA-N 440.551 3.642 10 40 IHCB COc1cc([C@@H]2c3cc4c(cc3[C@@H](N=[N+]=[N-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 19897255 UDISTNUOVQRQFK-LGWHJFRWSA-N 439.424 3.727 10 40 IHCB biogenic,in-vitro CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc(Br)c1O 38161399 QMLJHTXFMYDECC-WUXMJOGZSA-N 435.230 3.649 10 40 IHCB CN(C)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)cc1 90610316 ROMVRGQBMPAPFO-UHFFFAOYSA-N 430.501 3.530 10 40 IHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)c(F)c3)C2=O)c1 409104299 CLCWRELZIGKCHE-XSFVSMFZSA-N 436.487 3.656 10 40 IHCB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O 409147976 XJODKCVVKYXNQH-CPNJWEJPSA-N 435.549 3.744 10 40 IHCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1O 686963 OQBYQERRICNNLG-IZZDOVSWSA-N 428.069 3.923 10 40 IHCB CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)C(F)(F)F)cc1 823653 VZQHLKNBBPBYGE-OAHLLOKOSA-N 435.393 3.902 10 40 IHCB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 9075967 LHECFPPHTKQRML-UHFFFAOYSA-N 446.484 3.606 10 40 IHCB Cc1cc(C)cc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 96936844 SPNCGEABQYXCDK-ODLFYWEKSA-N 440.546 3.663 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2F)C1=O 409236661 SVEHAHWBBRSYKU-NBVRZTHBSA-N 437.471 3.881 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 670416556 FDWUIOBWCOKBEZ-CXUHLZMHSA-N 430.463 3.654 10 40 IHCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 2321893 MCCGJPPXRDXJDD-ZDLGFXPLSA-N 444.534 3.567 10 40 IHCB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 9427750 LMLJLNAYBHBUHF-DSDLTIFZSA-N 446.598 3.533 10 40 IHCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)o1 14132983 AVWVGKUPPYSPBI-LDADJPATSA-N 430.416 3.928 10 40 IHCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2)N2CCc3ccccc3C2)cc1 36683805 XBDCHTBFLLZDPS-RUZDIDTESA-N 442.563 3.607 10 40 IHCB O=C(COc1ccc(Cl)cc1Br)NCc1ccc(N2CCOCC2)cc1 59990761 PUFNHTBAIVBGKX-UHFFFAOYSA-N 439.737 3.634 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 409023770 PCPPYTSIAWVHQW-NVNXTCNLSA-N 427.840 3.955 10 40 IHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 8819318 KYLYYEWDEORYGO-ATVHPVEESA-N 443.506 3.833 10 40 IHCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 13668523 HCHBQCCNKVCELH-UHFFFAOYSA-N 447.988 3.655 10 40 IHCB CCn1c(C)cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1C 15013468 IMLDBRWECBOTAQ-SXGWCWSVSA-N 432.343 3.719 10 40 IHCB O=C(COc1ccc(C2SCCS2)cc1)N1CCN(c2ccc3c(c2)OCO3)CC1 408567933 GYTOLYYFDZFANK-UHFFFAOYSA-N 444.578 3.622 10 40 IHCB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408830726 PVDHJNBVSPVAKC-MDWZMJQESA-N 449.246 3.757 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(OC)c1 1297402 SNYJDMXCEAJYSP-SXGWCWSVSA-N 434.926 3.903 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1 2303586 FGQBCVOAOSUATK-PGMHBOJBSA-N 430.460 3.614 10 40 IHCB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964207 XZPWBLLCQNDOLW-DEOSSOPVSA-N 434.584 3.694 10 40 IHCB CCCOc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=S)N=C1O 27532015 MFHLRRIXCWZCRN-UHFFFAOYSA-N 448.136 3.755 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 41085151 JWQWJNOJNHBBDB-RYEIUNSYSA-N 432.553 3.826 10 40 IHCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1 408809181 NJFMNKRKXRLKBB-HYARGMPZSA-N 428.444 3.946 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1OCC 409213677 UWHHLLOCSXNVEH-XMHGGMMESA-N 437.496 3.607 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C/Nc3ccc(N(CC)CC)cc3)C(=O)NC2=S)cc1 13809760 WHTGBKCEMPNUMV-HMMYKYKNSA-N 438.553 3.675 10 40 IHCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 16741570 XATQUBSMDIRSMN-ZKMNFCBKSA-N 442.610 3.993 10 40 IHCB O=C1N[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Nc2ccccc21 59488537 TYSNRXXDCBCLNV-DEOSSOPVSA-N 443.507 3.771 10 40 IHCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1-c1ccc([N+](=O)[O-])cn1 107921929 VAWQVPUGPXNMPA-MOSHPQCFSA-N 439.431 3.704 10 40 IHCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225720620 NWHITHYCXPRVDB-UHFFFAOYSA-N 433.599 3.969 10 40 IHCB Cc1cc(C)cc(OCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c1 2261003 IZVRTHPVKPHJEB-UHFFFAOYSA-N 431.492 3.771 10 40 IHCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)s3)N3CCCC3)ccc21 8801035 IKEVFYARQPGLTO-KRWDZBQOSA-N 426.007 3.509 10 40 IHCB CCN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)SC1=S 32109494 KLHONSCMWFQHRB-ATVHPVEESA-N 435.548 3.684 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)c1C 409130039 TWSWKNSVPQXKLM-MDWZMJQESA-N 431.311 3.603 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1C 9135762 PHGHRISWRRBOJY-XMMPIXPASA-N 434.584 3.578 10 40 IHCB COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138008 JWFRSKBBCYDHAZ-RUZDIDTESA-N 437.584 3.800 10 40 IHCB COc1ccc(N2CCN(C[C@H](O)COC(c3ccccc3)c3ccccc3)CC2)cc1 9469854 RSQBHLLOPQJJHC-VWLOTQADSA-N 432.564 3.984 10 40 IHCB CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1OC 14414425 MBNPGGICCPBNRL-MOSHPQCFSA-N 437.492 3.975 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 195609650 LPUGVMIBQJLKGB-OAQYLSRUSA-N 443.613 3.558 10 40 IHCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223275695 KGILIBPZUSOXDG-FCHUYYIVSA-N 434.613 3.727 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc(OC)c1O 1245880 TYYAZOHZYNVFNK-NTUHNPAUSA-N 447.241 3.679 10 40 IHCB CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc23)CC1 20392972 RKCLKKWMRRPVGZ-UHFFFAOYSA-N 438.524 3.629 10 40 IHCB biogenic Cn1ccnc1-c1nccnc1[C@H]1CCCN(C(=O)c2ccnc(Cc3ccccc3)c2)C1 257283331 OXVLERBZYNVBSX-NRFANRHFSA-N 438.535 3.883 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2nonc12 13573212 WQRNFAGMHVIYTG-UVTDQMKNSA-N 430.536 3.904 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 15541618 KQOZLGLKQQSAGQ-UHFFFAOYSA-N 437.565 3.850 10 40 IHCB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 100867888 NQUPGJZOCGMEGD-VXNXHJTFSA-N 443.503 3.812 10 40 IHCB CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CCOCC3)cc2)ccc1Cl 225421476 LGJXRLDMVLOTPA-UHFFFAOYSA-N 433.961 3.840 10 40 IHCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1 408855636 HPYOYYFBGNBCBR-FMIVXFBMSA-N 437.304 3.842 10 40 IHCB CCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)N=C2S1 12419066 DEXOSGTYBDYAAS-ZGKRQABFSA-N 425.426 3.893 10 40 IHCB Cc1cc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](C)O)c(C)n1-c1ccc2c(c1)OCO2 13991893 NDMKQFWKGWBWSS-QGZVFWFLSA-N 436.508 3.935 10 40 IHCB COc1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c(OC)c1 35623433 UKSVNDJKHHVBKS-DEDYPNTBSA-N 427.501 3.635 10 40 IHCB Cc1cc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)ccc1Br 59139675 PYYAQRLYCYPQRG-UHFFFAOYSA-N 446.370 3.764 10 40 IHCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 408935048 CDAUJSMPXHVBKT-CPNJWEJPSA-N 431.404 3.813 10 40 IHCB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 16687840 HGRKNRWXOZTLME-KQWNVCNZSA-N 442.471 3.904 10 40 IHCB Cc1cc(C(=O)COc2ccc(F)c(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 32797484 IMKDJVZKJVIBCI-UHFFFAOYSA-N 436.892 3.796 10 40 IHCB COc1ccc(CC2=NN3C(=N)/C(=C\c4ccc(N(C)C)cc4)C(=O)N=C3S2)cc1OC 33776420 SNIBGTZERQDPNU-UVYYMYQDSA-N 449.536 3.632 10 40 IHCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCC(c4ccccc4)CC3)cc2)C1 58245371 SJGMVAMDQDSTNA-OOMBGRCJSA-N 434.584 3.914 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 195609652 LPUGVMIBQJLKGB-NRFANRHFSA-N 443.613 3.558 10 40 IHCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 408800449 MIJIUUVXWBZVSA-KGENOOAVSA-N 428.444 3.946 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1OC 8819477 ICLSZPFLIGYIPO-PDGQHHTCSA-N 443.550 3.719 10 40 IHCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1 16771380 XCWPISJQOJOVBF-FPQBULDBSA-N 449.601 3.793 10 40 IHCB O=C1C[C@H](c2ccccc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222203 KPTDQKDZBLTDIX-CYBMUJFWSA-N 432.384 3.723 10 40 IHCB biogenic CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223660498 XDYNOFMLGYJCQN-GOTSBHOMSA-N 449.580 3.728 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 409244378 BRGOUZRVORSENB-OQLLNIDSSA-N 430.913 3.887 10 40 IHCB CCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 19848860 HJHKXSHNECMLOX-IMIIHFCZSA-N 444.487 3.619 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1O 409091738 RRGCQVONBLJRKB-ZEVOCZHWSA-N 444.372 3.934 10 40 IHCB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccccc2O)C1 9418921 UTEPDQTXASCJSN-OAQYLSRUSA-N 435.505 3.755 10 40 IHCB COc1ccc(N2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1 9477577 LIBUFOKTGSAKQL-UHFFFAOYSA-N 439.519 3.905 10 40 IHCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 29769607 ARPMCPPCNSMVNK-UHFFFAOYSA-N 439.537 3.837 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1ccccc1 32099544 JGNFLSPIIMNAGC-STZFKDTASA-N 442.471 3.993 10 40 IHCB COc1ccc2c(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c(C(=O)O)[nH]c2c1 256055297 BACYDHHSAVXNES-SXGWCWSVSA-N 426.475 3.986 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1OC 409094225 CFWXXXWKQZWJMB-GXDHUFHOSA-N 430.913 3.887 10 40 IHCB COc1ccc2c3c(n(C[C@@H](O)c4ccc(O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 604405905 SVUMIJCVPOHFQB-LJQANCHMSA-N 443.455 3.669 10 40 IHCB biogenic CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870197 SKMDNRTXDZVRRV-NKFHPSDHSA-N 446.594 3.840 10 40 IHCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1Cl 59194381 MVMYBNHVFPMANE-UHFFFAOYSA-N 428.872 3.752 10 40 IHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 100650900 YCPSMUJBHAMYGV-AQTBWJFISA-N 426.571 3.847 10 40 IHCB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1)c1ccccc1 257317468 VJVULZWASAWSPV-CYFREDJKSA-N 444.535 3.706 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408871554 YWWSKHOCCSQJGI-MDWZMJQESA-N 435.661 3.778 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)Nc1cccc2nonc12 9253804 ZBWHJYOCVXFZKR-ZSOIEALJSA-N 430.898 3.716 10 40 IHCB CCc1nc2sc([C@@H](c3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854944 QQYHCFPBZSQVMW-OAQYLSRUSA-N 449.580 3.979 10 40 IHCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S 32125030 IWWNNXBUNMRFKP-YBEGLDIGSA-N 435.552 3.635 10 40 IHCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 106763202 QTADCZBNGXZDJG-WQRHYEAKSA-N 440.477 3.612 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 260511918 SWUSQRDYICUQDV-ZWKOTPCHSA-N 429.586 3.810 10 40 IHCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)c2C)c(C)c1 408757933 SMCSUCVDEXUDIC-PXLXIMEGSA-N 442.519 3.810 10 40 IHCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 409195953 XDKASXJBISHDPR-OOIIIRTPSA-N 437.839 3.607 10 40 IHCB CCCOc1c(I)cc(/C=C2/SC(=S)NC2=O)cc1OCC 409328677 ZTBHPGRCJXWNTB-XYOKQWHBSA-N 449.335 3.968 10 40 IHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1F 678628 UHHVSPAKYQQAPS-XDHOZWIPSA-N 448.450 3.883 10 40 IHCB COc1cc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc(OC)c1OC 1260463 PPRLZVJEAMTNQI-ZFOVBUMHSA-N 445.518 3.740 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 9493454 CEVJXXJRLXGMKP-DEDYPNTBSA-N 443.459 3.767 10 40 IHCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 409100795 WSFCLDGTBNNBHI-UZUMKDMXSA-N 427.526 3.758 10 40 IHCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C 409189450 GQZAZSRMNNQPOF-CPNJWEJPSA-N 445.500 3.624 10 40 IHCB Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 9221397 IKAABWBKAQSNHB-UHFFFAOYSA-N 435.524 3.979 10 40 IHCB Cc1cccc(OCCOc2ccc(Cl)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 13894853 VJGUYNXPCCJWHC-UHFFFAOYSA-N 428.872 3.540 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc2nonc12 33545070 FABMAHBEKASCDX-RIYZIHGNSA-N 430.898 3.716 10 40 IHCB COc1ccc(C2=NC3(CCNCC3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 65298111 CIDUQCCPMLLPDO-LJQANCHMSA-N 430.346 3.767 10 40 IHCB biogenic CCN1CCc2cc(CN3CCO[C@H](c4cc(CCOc5ccccc5)n(C)n4)C3)ccc21 257249189 JHEZERMEZXNXBL-MHZLTWQESA-N 446.595 3.998 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2cccn3nccc23)C1 257324343 WOFQRSVEMJKINP-HXUWFJFHSA-N 448.567 3.665 10 40 IHCB COc1cc(OC)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Br 409078809 JMFAFWINYWYOHS-LYGDGENHSA-N 444.372 3.847 10 40 IHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 409083524 BIFUNGVNVLARNT-XDHOZWIPSA-N 449.507 3.587 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CC)CC)cc3OC)C2=O)cc1 1203802 FAMMZOFZBAARGY-ZHZULCJRSA-N 437.496 3.607 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408894382 QGRSZGAAAOWBNU-WQRHYEAKSA-N 439.464 3.598 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1C(=O)O 408909304 GHGGWOZGGGREBU-YBFXNURJSA-N 447.422 3.598 10 40 IHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409104397 YWGAJZPKFFXRGC-GIJQJNRQSA-N 443.481 3.990 10 40 IHCB CCC[C@@H](Nc1cccc(-n2cnnc2)c1)[C@@H]1CN(c2ccc3c(c2)OCCO3)CC[C@H]1O 257260631 LDRMYIHDWLRWAN-YTFSRNRJSA-N 449.555 3.507 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1F 408953342 PYGUQWLGROMNPA-LICLKQGHSA-N 447.422 3.628 10 40 IHCB CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 13073961 JZOJWSJRBKTEGZ-SLVCOGOPSA-N 431.491 3.638 10 40 IHCB COc1cccc(N2CC(=O)N(c3cccc(OC)c3)[C@@H](c3ccc(N(C)C)cc3)C2=O)c1 15413423 DMHUJPLBOSXCPU-VWLOTQADSA-N 445.519 3.891 10 40 IHCB CCc1cc2c(C)cc(=O)oc2c(CN2CCC(C(=O)NCc3ccccc3)CC2)c1O 16876574 HXKIUKFOVQMODL-UHFFFAOYSA-N 434.536 3.898 10 40 IHCB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 225570415 VJUABGCDAJGGLE-LJQANCHMSA-N 441.597 3.952 10 40 IHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 409010925 GHHXEMMORHYKGM-XKYMITNMSA-N 443.481 3.990 10 40 IHCB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13008133 MIYIRZUCNWMSFH-DEOSSOPVSA-N 434.584 3.578 10 40 IHCB NC(=O)COc1ccccc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 409193611 HUDVQKVCOCCUAL-OVCLIPMQSA-N 449.351 3.719 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1Cl 409326341 AOHSDYRXFSVJMR-RQZCQDPDSA-N 445.953 3.945 10 40 IHCB CCOc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OC 9188900 XXQCNTMLBBCOFS-JWGURIENSA-N 437.565 3.882 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 9348769 ASGLHICMEVUOSI-MFOYZWKCSA-N 445.566 3.929 10 40 IHCB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)c1 33422060 HSQTVWYPRVZMTB-QNGOZBTKSA-N 433.460 3.915 10 40 IHCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)c(OC)c3)S2)cc1 210935238 HSIDYAFHCDGSEH-OTWJJXBCSA-N 428.466 3.638 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)C1 260801742 LPRDYLAZVAGRFC-JKSUJKDBSA-N 445.610 3.876 10 40 IHCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl 409089642 NHYPNQFVERLSKO-LWLPBDFMSA-N 441.958 3.662 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Cl)cc1OC 409235433 PXGVVVSJBNBYIV-NTEUORMPSA-N 430.913 3.887 10 40 IHCB NC(=O)COc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 409339009 DCKTYUGJVXDYLK-OQLLNIDSSA-N 449.351 3.719 10 40 IHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 9310600 SRDVKMYRWSPPLH-WOJGMQOQSA-N 428.535 3.852 10 40 IHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O 9845922 BUHCNVLBTNDZSS-SFQUDFHCSA-N 449.850 3.804 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(O)c1 12411678 IUOXVRZBHDPMIZ-LICLKQGHSA-N 447.413 3.924 10 40 IHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] 41078338 LDSOLBFRLVHDBF-RURBFHCNSA-N 434.408 3.633 10 40 IHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Cl)c3)C2=O)cc1 408816805 ZFHUACKIKSRZKI-LFIBNONCSA-N 442.855 3.582 10 40 IHCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 408940335 NVKZNATZTULGLT-XSFVSMFZSA-N 443.415 3.840 10 40 IHCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 9423538 LYWNPVXGAPZUCK-DXBBTUNJSA-N 436.895 3.636 10 40 IHCB O=C(N/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O)Nc1ccc(F)cc1 16428299 LWXXXXHJHXDNAD-ZROIWOOFSA-N 447.220 3.717 10 40 IHCB COc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)cc1 41082695 QNPRQCNDQRMMAX-PYYWQZPNSA-N 433.464 3.993 10 40 IHCB Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3coc4ccccc4c3=O)C(=O)N=C2S1 41108323 SVLCURXSJQVWTI-DDGGNYNDSA-N 444.472 3.800 10 40 IHCB CNc1nc([C@@H]2CCCCN2Cc2ccc3c(c2)CCCN3C)nc2c1CCN(C(C)=O)C2 72376566 DCSYYPUIAIZPOE-DEOSSOPVSA-N 448.615 3.533 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc1 13511388 CKWWCAAABKDMNQ-LDADJPATSA-N 434.379 3.539 10 40 IHCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408811104 NLCJGAUHCIANQR-FOWTUZBSSA-N 429.270 3.904 10 40 IHCB CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870192 LYZYPVKDCKYXLF-IMEUCPQMSA-N 446.594 3.984 10 40 IHCB COc1ccc2nc(/C=C3\SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)ccc2c1 54360847 CTPGXBJABVXWLA-HEUOVEHFSA-N 434.564 3.651 10 40 IHCB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 102758772 QHXZPCUSIUFKAP-HBMCJLEFSA-N 436.851 3.802 10 40 IHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccccc1F 205908294 ZQHFEGRTKYZATN-XDHOZWIPSA-N 427.501 3.892 10 40 IHCB CN1C(=O)C(=Cc2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N(C)C1=S 6287811 OAJOWFGJXDLDFL-UHFFFAOYSA-N 433.533 3.709 10 40 IHCB COc1cc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)cc1OC 12323060 QYGYLQGCOIISPM-OAHLLOKOSA-N 438.480 3.888 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 13943247 CYQDVHLYZJRAGK-PDGQHHTCSA-N 449.575 3.992 10 40 IHCB COC(=O)COc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 409001144 HGVXCPUHQVCVLC-QAIWHXNASA-N 435.476 3.672 10 40 IHCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 677840 KVAWEDKUAVKZKY-CPNJWEJPSA-N 446.484 3.873 10 40 IHCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)c1 9260126 KPSTXVZYZLEHIJ-FRKPEAEDSA-N 440.253 3.605 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)cc1 408893533 AZALCUGYFUQIRK-UYRXBGFRSA-N 438.480 3.938 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2967090 SUHQDLTVOCIPEA-PDGQHHTCSA-N 446.506 3.892 10 40 IHCB COc1ccc(N2CCN(C(=O)COc3ncnc4c(Cl)cc(Cl)cc34)CC2)cc1 3555686 LXSVRMLCXHFQAY-UHFFFAOYSA-N 447.322 3.673 10 40 IHCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 8917972 OZLMLADODAJPFY-LBKBBUBTSA-N 435.484 3.633 10 40 IHCB biogenic COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)NC1=S 409167415 JYNXMZMGTVPITM-DTQAZKPQSA-N 439.512 3.656 10 40 IHCB COc1cc(N2C(=O)N=C(O)/C(=C\c3cn(C)c4ccccc34)C2=O)cc(OC)c1OC 2314220 CQBUQHMHTMZENU-CXUHLZMHSA-N 435.436 3.711 10 40 IHCB COc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccco1 2970963 KSCZKRMLVFGVTB-XWAFYUISSA-N 445.518 3.888 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCc1ccc(O)cc1 13575272 ZJSVVMQJBYFOAF-BOPFTXTBSA-N 432.954 3.606 10 40 IHCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 58866041 OKBYOFGMMCOMRO-UHFFFAOYSA-N 439.420 3.936 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)C1 225291254 VFQDVCZPAAHOHI-DNVFCKCGSA-N 443.613 3.733 10 40 IHCB CCSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)Nc1ccccc1-2 3108986 PHPCERJFHSKSIG-INIZCTEOSA-N 442.413 3.676 10 40 IHCB COc1ccc(CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCO2)cc1OC 13994137 KGTZTTXYLNMEHF-QHCPKHFHSA-N 426.557 3.722 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)CC1 218342394 MMAFDGVVFDSYRC-GOSISDBHSA-N 429.586 3.810 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 224592558 IWKOQUJTIDPSIO-INIZCTEOSA-N 437.993 3.657 10 40 IHCB COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1 967081 OSOSHBSEWRAXLU-NCUBORBFSA-N 429.519 3.949 10 40 IHCB COc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2cc(OC)ccc2OC)cc1 9094817 VEZIYFVCIVPSQT-UHFFFAOYSA-N 438.480 3.837 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 59502719 SAISDJYFZKBAKN-FMIVXFBMSA-N 435.661 3.778 10 40 IHCB COc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9138003 VUJAKWYECSYVPG-VWLOTQADSA-N 437.584 3.800 10 40 IHCB Cc1ccccc1-n1ccnc1SCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 9515955 WALOGVWZFYXINO-UHFFFAOYSA-N 436.581 3.768 10 40 IHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 16682165 NZKMTESAPSYWSY-NJPLLEPOSA-N 429.450 3.941 10 40 IHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(OC)cc1 18254462 NJVBRKXLHFSWML-DEDYPNTBSA-N 436.493 3.957 10 40 IHCB C[C@H]1CN(C2=NC(=O)/C(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)S2)C[C@H](C)O1 27026663 DAONFJIDIBOAHM-ICZFLMCXSA-N 433.533 3.683 10 40 IHCB CCCC[C@H](CC)COCCCN/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 102412782 RVFWGDGROPPTRP-SAGAUJLNSA-N 445.560 3.765 10 40 IHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 408805284 FUPTXVSPDBOMEU-OQLLNIDSSA-N 429.816 3.703 10 40 IHCB COCCN1C(=O)/C(=C/c2cc(Br)cs2)C(=O)N(c2ccccc2)C1=O 409017093 VBTKPODUCAPCNE-GDNBJRDFSA-N 435.299 3.536 10 40 IHCB COc1ccc([C@H](CC(=O)NCc2ccc(N(C)C)cc2)c2oc(C)cc(=O)c2O)cc1 1547138875 HNZMEZAIKWOYSJ-NRFANRHFSA-N 436.508 3.567 10 40 IHCB biogenic COc1ccc(N2CCN(C(=O)CSc3nnc4c(C)cc5ccccc5n34)CC2)cc1 1223210 VHKRSABENHDENI-UHFFFAOYSA-N 447.564 3.640 10 40 IHCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1 1242181 MPVYGECJLRUQLC-YBEGLDIGSA-N 434.926 3.903 10 40 IHCB COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(OC)c1O 9188835 ICKQDUVXKXYZOI-IUXPMGMMSA-N 431.491 3.540 10 40 IHCB O=C1/C(=C/c2ccccc2F)SC(=S)N1CCCC(=O)N1CCCC[C@H]1CCO 9215860 JRAUWYNRIDEGMG-IYWFSZBXSA-N 436.574 3.571 10 40 IHCB COc1ccc(N2CCN(C(=O)c3cnc(Nc4nc5ccccc5o4)nc3C)CC2)cc1 10157604 DNNGIHBKKIDOSW-UHFFFAOYSA-N 444.495 3.641 10 40 IHCB COc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222596180 LOGGNXOYPXWLDM-ITEAAPOESA-N 440.569 3.525 10 40 IHCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 409022202 IVLSYDQJUYVIEK-GZTJUZNOSA-N 436.420 3.615 10 40 IHCB CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(NN=C(c3cccc4ccccc34)S2)C1=O 670421198 PYIFUHQBCKRQBP-XMMPIXPASA-N 447.516 3.710 10 40 IHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)C(C(=O)OC)=C2C)cc1 8872602 PECVBUVCCAXHHK-ZHZULCJRSA-N 449.459 3.527 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)COc3ccc(F)cc3)N3CCCCC3)ccc21 9137984 ZSJDLNUNRATIFG-XMMPIXPASA-N 425.548 3.930 10 40 IHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(F)c(F)c3)c3ccco3)CC2)cc1 56946234 SXQZRZCYUUWTIL-QFIPXVFZSA-N 441.478 3.860 10 40 IHCB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O 101065896 SYPBHEQVTDEXFB-ONTIZHBOSA-N 434.423 3.591 10 40 IHCB Cc1cc(C)cc(Cc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c1 408874446 BSLMIAKJSDSUTN-UHFFFAOYSA-N 429.339 3.571 10 40 IHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3F)C2=O)c1 409104934 LJEHDZNDJCYSSW-FYJGNVAPSA-N 436.487 3.656 10 40 IHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)c1 2119674 CGWWFQVAFXKFCT-XDHOZWIPSA-N 430.416 3.928 10 40 IHCB Cc1cc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(C)n1-c1ccc2c(c1)OCO2 3472374 UTZQMZAXZOHQGY-UHFFFAOYSA-N 445.427 3.969 10 40 IHCB O=C1/C(=C\NC2CCCC2)C(CSc2nnnn2-c2ccccc2)=NN1c1ccccc1 9210603 RNKGAYRYDLTNAP-HKWRFOASSA-N 445.552 3.573 10 40 IHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1C 15013111 CDQCRRYTRSDHJC-XFXZXTDPSA-N 435.263 3.985 10 40 IHCB O=C(O)COc1ccccc1/C=C1/SC(Nc2ccccc2Br)=NC1=O 16910029 FQYLIRVPHYAPAX-OQLLNIDSSA-N 433.283 3.995 10 40 IHCB Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)cc1Cl 41077717 ZGVYGVINVGNIDN-ULUISBJDSA-N 448.913 3.530 10 40 IHCB Cc1cccc(C)c1OCCn1c(C)c(C=C2C(=O)NC(=S)NC2=O)c2ccccc21 41077959 SDCCMROVJNNKPI-UHFFFAOYSA-N 433.533 3.560 10 40 IHCB COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OC 41078522 JZTRMUSGGNDVBF-VUPMGEPRSA-N 449.463 3.612 10 40 IHCB O=C1CCCN1C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 57992853 RSTWINWGIDQOEF-QFIPXVFZSA-N 447.501 3.995 10 40 IHCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223618508 VXPNSDULWMJNFS-DHIUTWEWSA-N 436.581 3.853 10 40 IHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 409232444 HUKYQBVTXGBPMI-RIYZIHGNSA-N 430.913 3.805 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 409379399 WSVPREMDNPYVHR-XSFVSMFZSA-N 446.488 3.779 10 40 IHCB CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 2219606 COAMRZQLJGPIRT-VKAVYKQESA-N 436.562 3.570 10 40 IHCB COc1cccc(C(=O)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1 4053199 LJXNISQWWBXAGE-UHFFFAOYSA-N 425.529 3.682 10 40 IHCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 8821596 GSJZTTXJKPJHSM-DYTQJMLRSA-N 425.528 3.557 10 40 IHCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 27017894 XBNNJHIIVOUCRE-PACYTGELSA-N 447.559 3.538 10 40 IHCB COc1cc(OC)c(-n2cccc2/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc1Cl 41108075 GDWRVOQZLYSDCT-PAYPOKEOSA-N 429.889 3.787 10 40 IHCB COC(=O)C[C@H]1c2cccnc2Oc2cc(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc3c21 96115676 KOVAYCPGHJYPEG-ZDUSSCGKSA-N 447.399 3.773 10 40 IHCB biogenic O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 408933923 CEJRREIJNTXSEV-BKUYFWCQSA-N 443.415 3.840 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(OC)cc2)C1=O 409241069 WWMWIMSCTBSUTH-XDJHFCHBSA-N 431.448 3.551 10 40 IHCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1 17096682 CSKCEPJLPNSNSW-STZFKDTASA-N 429.879 3.851 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)c3cccc(N(C)S(C)(=O)=O)c3)cc2)CC1 222422332 KOVKBVCQFIDUIQ-SFHVURJKSA-N 429.586 3.810 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(N)=O 409216646 NCENMSHVHOASIJ-WOJGMQOQSA-N 428.535 3.664 10 40 IHCB COc1ccc(OC)c(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)c1 9189275 SCTXBIXIFZKPKW-ZHZULCJRSA-N 427.501 3.635 10 40 IHCB O=[N+]([O-])c1cccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)c1 9369193 DMVUKXLAFPYJHE-SFHVURJKSA-N 435.323 3.528 10 40 IHCB COc1ccc(-c2csc(CCN3N=C/C(=C4\CCCCCN4)C3=O)n2)cc1OC 9510184 BQRNCQVVBFUUGX-MSUUIHNZSA-N 426.542 3.616 10 40 IHCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C 223714989 BSIZJOLDWXGCOJ-PKTZIBPZSA-N 449.580 3.810 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 408858197 XOKSLSUBMDMZEO-NTEUORMPSA-N 433.233 3.653 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(N3CCCC3)o2)C1=O 408858622 QXLPQDGKVSFDRX-GXDHUFHOSA-N 444.285 3.617 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1O 409077668 FFEYEFCUMRUVNA-WBERELSBSA-N 430.345 3.544 10 40 IHCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409233084 JVWONPDWOIUMMR-RVDMUPIBSA-N 445.338 3.988 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 1158629 FLDDQXSSLPIEEH-YBFXNURJSA-N 445.500 3.654 10 40 IHCB CCC(C)(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 22928776 BDFWWSJFTGVBBY-XMMPIXPASA-N 447.631 3.791 10 40 IHCB C[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCCC2)cc1 225695265 HQWOBLRYGWBPFG-INIZCTEOSA-N 432.615 3.730 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)OC 409198783 KYOPFWPAJAZWDF-WOJGMQOQSA-N 446.550 3.593 10 40 IHCB COc1ccc(N2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)CC2)cc1 2645799 GPZZSFOUOBIENF-UHFFFAOYSA-N 439.519 3.905 10 40 IHCB CCCN(C(=O)CSc1ncc(-c2ccccc2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 12506605 SFYVZMCHGXZYMV-LJQANCHMSA-N 449.642 3.724 10 40 IHCB CC(C)[C@@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2cccs2)SC1=S 13573803 ZAYGZKPTQRIXQK-PNBQMMRZSA-N 438.640 3.737 10 40 IHCB CCN(CC)c1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c(OCc2ccccc2)c1 32125468 DMJULMYGTSQPOC-QBFSEMIESA-N 436.468 3.979 10 40 IHCB CCSC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 41083521 YXZNZBICUVQESU-UBQQHRPYSA-N 426.479 3.829 10 40 IHCB N=C1/C(=C/c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084732 SGHLYSLWGIJPDJ-RAHJNROOSA-N 449.492 3.561 10 40 IHCB Cc1ccc(OCCOc2ccc(Cl)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 4196120 BMYAJNFDQPEDKD-UHFFFAOYSA-N 428.872 3.540 10 40 IHCB COc1ccc2[nH]cc(/C=C3\SC(=S)N(c4ccc(O)c(C(=O)O)c4)C3=O)c2c1 13574712 VZCYXSLYNDHFJV-FMQZQXMHSA-N 426.475 3.986 10 40 IHCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)C(O)=NC1=S 59182252 YLVDMJGZBMPQPN-BRFSQIRFSA-N 438.553 3.529 10 40 IHCB COc1cc(OC)cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)c1 67245531 SRNVUAUAFDYUIS-UHFFFAOYSA-N 446.500 3.622 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409244708 HPEVJXREYWDNRM-LGMDPLHJSA-N 447.403 3.920 10 40 IHCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 4083454 MZRDGNYSULUQCD-HYARGMPZSA-N 429.476 3.765 10 40 IHCB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccc(F)c(Cl)c1 12608374 CPRIFWBWDCGBJK-UHFFFAOYSA-N 446.887 3.914 10 40 IHCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 260739910 QNGDTEZERAZOPA-KRWDZBQOSA-N 446.642 3.805 10 40 IHCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3ccc(C)s3)c2C)cc1 9284329 GZQNAQFWZJBCPX-UHFFFAOYSA-N 440.521 3.629 10 40 IHCB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 20568739 DIMFTUHFTPGNFD-KHEYOILXSA-N 449.569 3.893 10 40 IHCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(OC)c1 106756659 VPJRSOSQXKAYCV-UYRXBGFRSA-N 431.558 3.590 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3I)C2=O)cc1C 108203626 FVHRMOZOJCYHEB-XNTDXEJSSA-N 446.244 3.574 10 40 IHCB N#Cc1ccccc1COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 108243821 AKTGDZULZATANO-MOSHPQCFSA-N 440.415 3.507 10 40 IHCB Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)NC1=S 408953385 PDUSDBNHGYOILH-HMMYKYKNSA-N 430.533 3.683 10 40 IHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1 2119670 HAZBRBLEPNPFPL-XDHOZWIPSA-N 430.416 3.928 10 40 IHCB CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 2252867 OYIUCGKYOJFDTE-VBKFSLOCSA-N 446.598 3.531 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(Br)c3)C2=O)cc1 9311445 ZFUWDBVVCMAAJR-SDQBBNPISA-N 435.661 3.783 10 40 IHCB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 19936618 JRXIBCOOKDOHOV-UHFFFAOYSA-N 442.880 3.817 10 40 IHCB COc1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(OC)c(OC)c4)SC3=NC2=O)cc1 33437956 ASLMEZGZLDOWNX-RCOXNWNUSA-N 436.493 3.574 10 40 IHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223695036 IMWDZKJAJOOVOU-XZOQPEGZSA-N 449.580 3.728 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br 409138919 JXCUUGWJHPJARC-NTEUORMPSA-N 445.338 3.906 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)c1 8400672 HMNLBAKEXMGLRM-FYJGNVAPSA-N 430.533 3.937 10 40 IHCB N#Cc1ccccc1COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 34707128 JZVCPAZQAZGDJI-NDENLUEZSA-N 440.415 3.507 10 40 IHCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1C 40564364 ZHSDQSIPIYLKPS-XTIFCCNPSA-N 431.491 3.693 10 40 IHCB O=c1oc2c(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)ccc2cc1-c1ccccc1 100655736 VQRWNRTZFBOALJ-YLJYHZDGSA-N 440.499 3.947 10 40 IHCB COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2C)c1 112290335 NXCWMCAZRSKZKW-UNOMPAQXSA-N 425.416 3.508 10 40 IHCB Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1N(C)S(=O)(=O)c1ccccc1 224504595 ONEJLHRPNGXKJZ-UHFFFAOYSA-N 437.565 3.816 10 40 IHCB COC(=O)c1cc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)ccc1Cl 408532954 NJFBTURDHQEUJD-SFQUDFHCSA-N 449.850 3.859 10 40 IHCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(N4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1 10232859 ZJIGJKJRGITPMK-BOPFTXTBSA-N 431.495 3.612 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc(Cl)c1O 16688252 YOTOLDMPVDKGKC-MLPAPPSSSA-N 431.788 3.859 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 408536711 XNXIICQDXMBIOJ-FMIVXFBMSA-N 433.251 3.590 10 40 IHCB CCOc1cccc(/C=C2\C(=O)N(c3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)c1O 408583950 KTCGXYJVTRAURK-ATVHPVEESA-N 439.464 3.685 10 40 IHCB COc1cc(OC)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Br 409078812 JMFAFWINYWYOHS-URXIRXLPSA-N 444.372 3.847 10 40 IHCB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9883763 PGCPAHSRQPXOPI-UHFFFAOYSA-N 433.847 3.840 10 40 IHCB CCCN(C(=O)CSc1ncc(-c2ccccc2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 12506608 SFYVZMCHGXZYMV-IBGZPJMESA-N 449.642 3.724 10 40 IHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1 33659552 FEPORDJVNFORSG-DHDCSXOGSA-N 449.897 3.803 10 40 IHCB COc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc(OC)c1OC 33678922 SXWOPEDJVJBAPZ-MOTLCBBXSA-N 442.522 3.636 10 40 IHCB O=C1COc2cc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c(Cl)cc2N1 58081475 XIECCAGDRHFVJI-CQSZACIVSA-N 431.876 3.590 10 40 IHCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 107783953 AOCIZGDBNCGBCZ-XYOKQWHBSA-N 435.263 3.985 10 40 IHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 408995362 BTPGKZSWDMROSA-JCMHNJIXSA-N 448.519 3.857 10 40 IHCB COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c(OC)c1OC 13724786 SZRFMHWZONDDFY-HNNXBMFYSA-N 438.480 3.888 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC)c(Cl)c3)C(=O)NC2=S)c1 408772429 LPUCRAUZTHPJLS-MHWRWJLKSA-N 430.913 3.969 10 40 IHCB CCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 13646237 SPBHEXMNDBGNAL-SCUCTCNRSA-N 442.610 3.706 10 40 IHCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)c(OC)c1 16678448 OTAFQFAIFNNMFJ-PDGQHHTCSA-N 444.329 3.765 10 40 IHCB CC(=O)Oc1ccc(N(C(C)=O)C2=NC(=O)/C(=C/c3ccccc3OC(C)=O)S2)cc1 32594550 HEJIRLTYACVHLY-NDENLUEZSA-N 438.461 3.561 10 40 IHCB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 8685194 JSSAMZSLPDYSDC-FZKQIMNGSA-N 439.895 3.967 10 40 IHCB aggregator COc1ccc(OC)c(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c1 8821678 JGRRJQPYNPWSRF-ZHZULCJRSA-N 427.501 3.635 10 40 IHCB Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C3=CN[C@@H]4SCCN4C3=O)ccn2n1 1403927 PBAHGUWSLNWOSH-QFIPXVFZSA-N 448.577 3.668 10 40 IHCB COc1cccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)c1 13809718 HJPLVLMFYXESTH-KQWNVCNZSA-N 430.460 3.614 10 40 IHCB Cc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2cc(Br)cc(C)c2O)CC1 1560656078 RRWQACGYTWZQIO-QGZVFWFLSA-N 447.373 3.883 10 40 IHCB O=C(CSc1nnc2n1CCCCC2)Nc1cccc2c1C(=O)c1ccccc1C2=O 13134797 JYHLMZVMDLXFAU-UHFFFAOYSA-N 432.505 3.511 10 40 IHCB COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 14011155 HJNRQVYZTJIOHC-YBEGLDIGSA-N 429.270 3.741 10 40 IHCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1C 112289895 NHVZCJNUKYEFPA-NDENLUEZSA-N 427.432 3.738 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 260453214 GNVDLYQSKDTHIG-ROUUACIJSA-N 429.586 3.810 10 40 IHCB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 260712583 JKCCLDHDTAGSRH-QGZVFWFLSA-N 440.617 3.951 10 40 IHCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 408902356 HVKSFWOHJMBBHD-MTJSOVHGSA-N 429.501 3.871 10 40 IHCB CC(=O)Nc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 409330391 LVTMDMOHYFEEDU-YBEGLDIGSA-N 431.926 3.845 10 40 IHCB O=C1C[C@H](c2ccsc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222115 BYAYTWXBBMMPSX-LLVKDONJSA-N 438.413 3.785 10 40 IHCB biogenic O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 8819239 VNUPVFQCXOYKLL-SXGWCWSVSA-N 447.469 3.670 10 40 IHCB Cn1c(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc2ccccc21 8821936 CYBBBEOZQZWDML-GZTJUZNOSA-N 438.490 3.633 10 40 IHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 41083896 IQYXDTCCORMNKD-HBDSZSESSA-N 448.913 3.611 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1C 59336729 HBUBMDXMVXGGFX-UNOMPAQXSA-N 430.416 3.928 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)cc1 409193377 JSXCCMYNQQPRDV-NFECSFHCSA-N 431.448 3.516 10 40 IHCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)c1ccc(Br)cc1 409224371 JMPKXSDIQILECG-LZYBPNLTSA-N 434.267 3.780 10 40 IHCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15996202 KTWZKNQVFJGNCP-MYGLTJDJSA-N 436.552 3.828 10 40 IHCB Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 21963764 CSPURZJWXGAPRC-UHFFFAOYSA-N 443.613 3.944 10 40 IHCB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@@H]2C1=O 100799138 OHZDMHXAYPJNCU-OTWHNJEPSA-N 445.313 3.801 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@H](C)C(=O)O)c2)C(=O)NC1=S 409191575 ZKYTXNCUTASVTA-QFGUUYLXSA-N 447.516 3.681 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 409229781 UZNPZGFZBJDABH-XSFVSMFZSA-N 435.549 3.825 10 40 IHCB CN1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N(C)C1=O 2222657 IQCOLGYISKIIRC-UHFFFAOYSA-N 437.883 3.808 10 40 IHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 8820359 SFPFHCMPTNMNFB-GUSDSWBTSA-N 441.490 3.697 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9432098 UPHSHEUXZXPTTF-BSEYFRJRSA-N 437.496 3.506 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCC 15012119 YSJLFROAEYMCJB-KPKJPENVSA-N 446.344 3.532 10 40 IHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1 104091034 SDZSHIYIHKWCSG-BFQBXFRASA-N 440.510 3.819 10 40 IHCB COCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCCC2 2792949 FNAMSUBVPTVJRK-HOTGVXAUSA-N 435.542 3.816 10 40 IHCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)o2)cc1 2335001 AIJVTCJGTQKZGB-YVLHZVERSA-N 446.531 3.588 10 40 IHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O 9259894 ZANZFSTXROZXFR-WOJGMQOQSA-N 448.541 3.682 10 40 IHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)cc1 15584312 MRYQWAUCQVZQBD-UHFFFAOYSA-N 434.867 3.878 10 40 IHCB CSc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3occ(C)c3C)cc2)c(O)n1 17021136 FHUOFRNKDSACOY-QURGRASLSA-N 434.503 3.912 10 40 IHCB COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)CCO)cc1)N[C@@H](c1ccc(C)cn1)C2 19216077 KYOUIGDYLHWNJN-ZEQKJWHPSA-N 433.552 3.812 10 40 IHCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223618559 VXPNSDULWMJNFS-PKTZIBPZSA-N 436.581 3.853 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 8819357 QMDCTAVUODKHIF-WQRHYEAKSA-N 428.535 3.852 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1 408938662 QWUCICJLQPYMNH-JCMHNJIXSA-N 428.444 3.941 10 40 IHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 2970173 IKHDLRJALDKCKR-UNOMPAQXSA-N 428.400 3.874 10 40 IHCB CC(C)COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9471648 GWRFRHXECMJDDH-QFIPXVFZSA-N 444.597 3.617 10 40 IHCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 12363667 NXSZQBCCGASVDI-HIXWQLQUSA-N 440.521 3.712 10 40 IHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc2c(c1)CC(=O)N2C 12560345 DBSWLOFTBWXIAZ-UHFFFAOYSA-N 449.532 3.835 10 40 IHCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 13572674 HQXFMWPUCXBHIH-JGFFECLZSA-N 430.595 3.598 10 40 IHCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 409098360 PQYFMIFPKAEOFV-CRRKTRLDSA-N 440.521 3.712 10 40 IHCB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 409342789 FLCHYPMZVXXBIN-OQLLNIDSSA-N 449.897 3.803 10 40 IHCB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1 933451 IRCYFLGNQKSDKH-UHFFFAOYSA-N 436.449 3.909 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)S1 9763425 SWRDRELVUFGUJM-RQZCQDPDSA-N 430.869 3.724 10 40 IHCB O=C(Cn1cc(/C=C2/SC(N3CCOCC3)=NC2=O)c2ccccc21)Nc1ccccc1 13915829 QIFGKDNVSVIKNS-KGENOOAVSA-N 446.532 3.583 10 40 IHCB O=C1/C(=C/c2ccc(Br)cc2F)SC(=S)N1CCCN1CCOCC1 14200327 LIKKOMFSCIKANS-GDNBJRDFSA-N 445.379 3.512 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 27530539 YMIUQQRJQSNOEW-GIJQJNRQSA-N 442.518 3.654 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408741640 RHYAOUCZAQTQJC-KGENOOAVSA-N 443.415 3.840 10 40 IHCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 409377892 MAISFFHLIGNQKR-ZDLGFXPLSA-N 436.420 3.683 10 40 IHCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)cc1O 12275234 AHGJRDIUESGNAS-IZZDOVSWSA-N 426.269 3.852 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nn(C)c(=O)c4ccccc34)c2C)cc1C 12645294 MMNHXAPLWVJWIT-UHFFFAOYSA-N 443.503 3.998 10 40 IHCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1C[C@@H]2C[C@@H](C1)Cn1c2cccc1=O 100758682 OZLMLADODAJPFY-SAFKIOOLSA-N 435.484 3.633 10 40 IHCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 106689714 YBKZXSUKGAZAMG-UNOMPAQXSA-N 443.456 3.807 10 40 IHCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3=NCCS3)C2=O)cc1 8819801 NNEBVVCOGYDPLQ-SSZFMOIBSA-N 433.624 3.976 10 40 IHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)c1 108990259 XENOFEWZYQKKEK-MOSHPQCFSA-N 436.487 3.574 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OC 408810334 JLPGFJOCDWBKGW-AWNIVKPZSA-N 435.263 3.985 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)c1 409203387 WWGBQCXSDFHXGA-DEDYPNTBSA-N 443.459 3.767 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3OC)C(=O)NC2=S)cc1 409388740 WOQCJYYFGVXHIX-XSFVSMFZSA-N 435.549 3.689 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1OC 8820681 USJWZRHZIDWWDP-OMCISZLKSA-N 445.474 3.506 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 9322967 DTGLVAFRYIJZFR-JOCHJYFZSA-N 443.547 3.688 10 40 IHCB COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccccc3F)CC4=O)CC2)cc1 10156588 JQKGEHBXCLIHJG-QGZVFWFLSA-N 432.499 3.864 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccccc1F 13898441 MRAXFUCXCUEQQV-UYRXBGFRSA-N 433.395 3.774 10 40 IHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br 14011072 RRAGYJJTGWHSMF-DHDCSXOGSA-N 429.270 3.741 10 40 IHCB O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccccn1 16676206 XAIZQKVRRGJCGE-UKTHLTGXSA-N 434.340 3.684 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 16688962 FTXYMACROFHGRX-WQRHYEAKSA-N 445.518 3.963 10 40 IHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2cccc(F)c2)c1 33546393 WNMIUJOIOBAXBV-HMAPJEAMSA-N 431.467 3.932 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc(Cl)c1OC 59104304 WTHJRSCPKNYGBI-LFYBBSHMSA-N 430.800 3.593 10 40 IHCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 409215773 ATFIANNMPQBGKG-HKWRFOASSA-N 439.493 3.710 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC(C)C)C(=O)NC2=S)cc1 6266713 LFODACYTHSSFEU-AQTBWJFISA-N 440.521 3.712 10 40 IHCB Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1C 13075321 IXQRYBVCOUGMBC-UHFFFAOYSA-N 433.508 3.900 10 40 IHCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/c1ccc2c(c1)CCN2Cc1ccccc1Cl 13512549 GLZQZHFWOGIQEB-LDADJPATSA-N 437.952 3.692 10 40 IHCB CN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N(C)C1=O 408741048 NOIMRGBVFHZZNX-UHFFFAOYSA-N 447.260 3.601 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408959784 FWHWMKXOMPFFSH-XSFVSMFZSA-N 442.427 3.630 10 40 IHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOCCOc1cccc(C)c1 13940683 ALSHWXPRWDAZEU-ZHZULCJRSA-N 445.562 3.967 10 40 IHCB CC1=NC(=S)N(NC(=S)Nc2ccccc2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100643930 DMDXKVWVNFTMHX-SKAIHHOBSA-N 441.498 3.537 10 40 IHCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O 409248576 LHNNMBRUPQVARG-VGOFMYFVSA-N 446.912 3.506 10 40 IHCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 8818986 XMRFZDBGZDXGBX-WFSQQTBHSA-N 448.478 3.928 10 40 IHCB CCOc1cc(/C=C2/SC(=S)NC2=O)c(Br)c(Br)c1O 9310357 NWSVBWMSLGRNNL-QPJJXVBHSA-N 439.150 3.805 10 40 IHCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504735 VKWPKXINVUUNHU-HSZRJFAPSA-N 438.551 3.779 10 40 IHCB O=C1N=C(O)/C(=C\c2cc(Cl)c(O)c(Br)c2)C(=O)N1Cc1ccco1 38177617 VCOMBLGOEUJFDJ-ONNFQVAWSA-N 425.622 3.903 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S 409173021 KPGXEMIUMWICDR-CPNJWEJPSA-N 447.516 3.640 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(C)cc1 409373437 SQCYAWQZHXREQY-UDWIEESQSA-N 446.459 3.838 10 40 IHCB CN1CCc2cc([C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCOCC3)ccc21 22733282 PMWTZBLLXZIETD-OAQYLSRUSA-N 433.474 3.501 10 40 IHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(N(C)C)c([N+](=O)[O-])c1 96193263 AAHOEUNTUGYJRS-ZSOIEALJSA-N 428.832 3.819 10 40 IHCB C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)cc2)C1 224392075 QJJACAQZWBFYAM-LJQANCHMSA-N 441.597 3.783 10 40 IHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 409020380 OSJHWFWVSKNXHP-XWAFYUISSA-N 442.493 3.780 10 40 IHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)c(Br)c1 9934785 REKWTTYXARWXKF-JXMROGBWSA-N 437.702 3.639 10 40 IHCB Cc1cc(C(=O)CN(C)Cc2ccc(Cl)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 16590392 VSSSRRUPGJHDGM-UHFFFAOYSA-N 445.972 3.710 10 40 IHCB COc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc(I)c1O 36617156 BJXUEWCSJJEXNJ-WUXMJOGZSA-N 449.335 3.863 10 40 IHCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409023571 HEKBOYSSENKBCJ-BOPFTXTBSA-N 437.408 3.825 10 40 IHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 409091501 UVMYCXXTHFHMNQ-LDADJPATSA-N 449.507 3.587 10 40 IHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Br)o2)C(=O)NC1=S 409103549 DIFPWRLBUVXOAX-JXMROGBWSA-N 425.691 3.835 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C1=O 9265417 PCSUIKLJCSABCI-MOSHPQCFSA-N 443.459 3.767 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409229385 OJBWHIQSXLZINJ-XMHGGMMESA-N 435.549 3.825 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 2215592 ZAOPLYDDMFMYON-CPNJWEJPSA-N 430.416 3.874 10 40 IHCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3=NC4=CC=C=C[C@H]4S3)C2=O)cc1 26771398 CWYHEWDXDLNUKP-WISAJEAXSA-N 439.587 3.783 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1 409341370 BGVVHCHISBNRJC-LDADJPATSA-N 425.535 3.682 10 40 IHCB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1-c1ccc2c(c1)OCO2 8721144 OPLREGCHMRUFJT-UHFFFAOYSA-N 447.520 3.988 10 40 IHCB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 9439815 YBKPTNXUFQDPJV-UHFFFAOYSA-N 441.415 3.946 10 40 IHCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)SC1=S 13914446 INVQURHYTDSBSO-XDHOZWIPSA-N 442.562 3.612 10 40 IHCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14406751 ZETJBSSZWFQVKG-PDGQHHTCSA-N 439.464 3.598 10 40 IHCB CCOc1cc(/C=C2/SC(Nc3ccccc3)=NC2=O)ccc1OCC(=O)N(C)C 96663330 BCMOXDDAQUUDAV-CPNJWEJPSA-N 425.510 3.635 10 40 IHCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(Br)ccc1OC 408895255 UNPFEYRSGOZCOL-YVLHZVERSA-N 443.297 3.726 10 40 IHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC 409228956 HQMIRAJVCKICNM-YRNVUSSQSA-N 437.304 3.842 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1Cl 4330794 WDDKCPJQIKMDII-NRFANRHFSA-N 428.964 3.606 10 40 IHCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 409021381 FAGJQVZANNSZNJ-GIDUJCDVSA-N 444.285 3.901 10 40 IHCB CN(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 20121640 IHNHRTDFXSVZMZ-XMMPIXPASA-N 437.636 3.894 10 40 IHCB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 20793666 JUPPABNEHAXHOT-ATIWSHOWSA-N 448.479 3.759 10 40 IHCB N=C1/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(c3ccco3)=NN12 41076734 PAIZFLOGWMUMIN-HUMIGVHUSA-N 432.417 3.905 10 40 IHCB C[C@H](NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C1CC1 84636362 CACZZDVMBCJLNX-WULZRQGASA-N 425.373 3.565 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 226451149 MUKPFLNQXJJISD-NJDAHSKKSA-N 441.414 3.521 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC)C2=O)cc1 4509466 VVEWNYKEGJYYCH-WJDWOHSUSA-N 445.269 3.523 10 40 IHCB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)[nH]c3ccccc34)CC2)cc1 13165388 QKHGGOWFGBZOML-UHFFFAOYSA-N 435.549 3.842 10 40 IHCB COC(=O)COc1c(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cccc1OC 408533987 RVDAZASZEKZVTD-GZTJUZNOSA-N 429.519 3.961 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 408913559 LVRPRPHSWQNOIN-RGVLZGJSSA-N 447.422 3.598 10 40 IHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCOC)C3=O)c2C)cc1 409131902 ZBLXXLIRFAZEMW-CPNJWEJPSA-N 428.510 3.954 10 40 IHCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1 409246186 GDRQGTLMBLJMFU-LDADJPATSA-N 440.521 3.667 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O 409247285 MBICVYZTCGRZTG-CAPFRKAQSA-N 444.491 3.608 10 40 IHCB COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 3071902 LYEILGNYKCGYPG-AQTBWJFISA-N 428.535 3.934 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1cccc(C(=O)O)c1 27530583 OFQCANPUZHUTIP-LFIBNONCSA-N 430.482 3.754 10 40 IHCB O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)c1 106770391 PDBKUQGCTVJEDJ-PDGQHHTCSA-N 440.477 3.694 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)NC2=S)cc1 409020594 QWLBZMCCHXHMNY-XSFVSMFZSA-N 431.517 3.934 10 40 IHCB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@H]2C1=O 4166139 OHZDMHXAYPJNCU-QRVBRYPASA-N 445.313 3.801 10 40 IHCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1OC 13712905 XGRIZVNCYLFSGG-GDNBJRDFSA-N 434.926 3.903 10 40 IHCB O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1CCN1CCOCC1 14197672 FKRFOVDIGXQEPG-PGMHBOJBSA-N 440.590 3.799 10 40 IHCB CCOc1cc(/C=C2/C(=O)NC(=S)N=C2O)cc(Cl)c1OCCOc1ccccc1 27528307 PFALGRNUFAUWCG-UHFFFAOYSA-N 446.912 3.951 10 40 IHCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 100982719 UUBLHKKQSQBZJU-VXNXHJTFSA-N 443.503 3.812 10 40 IHCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)C(=O)N1 409044124 AYSLLNGHBBUPLX-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)NC1=S 409108279 ZHKFRPMJBMVWFP-CUJDEGIUSA-N 427.869 3.944 10 40 IHCB O=C(COC(=O)COc1ccccc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9402817 KALGMRTUEMXTGW-UHFFFAOYSA-N 449.846 3.676 10 40 IHCB COc1ccc(N2CCN(C[C@@H](O)COCCC34CC5CC(CC(C5)C3)C4)CC2)cc1 20347342 PDVKXDWGAREKBA-UEMNXXGQSA-N 428.617 3.801 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 32856166 YBCHLAHDROMEFI-FQEVSTJZSA-N 445.972 3.638 10 40 IHCB CC(C)Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)s1 8820311 JQBORENCBDBIGM-JLHYYAGUSA-N 436.584 3.950 10 40 IHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223660096 QWFDJUQWDQQLBC-XZOQPEGZSA-N 449.580 3.728 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC 409105379 IWZGDAVDIAVRKI-GXDHUFHOSA-N 430.913 3.887 10 40 IHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])c2nonc12 9235871 HWFSMGSGSMLCQE-RIYZIHGNSA-N 444.450 3.763 10 40 IHCB N=C1/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 19897224 NJPQTDWQXSUAKN-HGYZZIEJSA-N 434.355 3.826 10 40 IHCB O=C1CCCN1C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 57992851 RSTWINWGIDQOEF-JOCHJYFZSA-N 447.501 3.995 10 40 IHCB CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OC(C)=O 58866186 MCNXOWDYICVKTB-UHFFFAOYSA-N 439.258 3.527 10 40 IHCB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 219012706 NYVLPQAZSLBFKX-UXHICEINSA-N 443.613 3.729 10 40 IHCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 224698287 FHDYXVAIAPYPIX-UHFFFAOYSA-N 443.613 3.946 10 40 IHCB CCc1ccc(N([C@H](C)C(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 260805238 AAFNQXNPLKAZCX-GOSISDBHSA-N 431.602 3.566 10 40 IHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OCC 408912335 FGHGKUMDZFTLSP-OVCLIPMQSA-N 432.835 3.943 10 40 IHCB O=C1[C@@H](Cc2cc3c(cc2Br)OCO3)SC(=S)N1Cc1cccnc1 409149519 ITRMYBXJOVGROE-OAHLLOKOSA-N 437.340 3.544 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2OC)C1=O 409248345 QASNIDVFOSJZGK-XDJHFCHBSA-N 449.507 3.751 10 40 IHCB O=C(CCN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)Nc1cccc2nonc12 9348514 TVPSIKNFXCZGDK-CXYACTMZSA-N 426.479 3.602 10 40 IHCB CCOC(=O)/C(=C/c1ccc(N(C)C)c([N+](=O)[O-])c1)c1nc2sc(C)c(C)c2c(=O)[nH]1 33467011 PSTMQKFWUUASFI-NTEUORMPSA-N 442.497 3.679 10 40 IHCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 41083891 ZTVCQRISIZIROU-HJDDMPKESA-N 448.913 3.611 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)cc1 13505243 UGBAYMJDLDCSHY-HSZRJFAPSA-N 446.580 3.703 10 40 IHCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13647580 ONMFXYFMCMAAMF-LWLPBDFMSA-N 439.967 3.988 10 40 IHCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc(C(=O)OC)ccc1C(=O)OC 100110558 MFTLCJKAKABOPQ-AQTBWJFISA-N 439.443 3.898 10 40 IHCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223275581 KGILIBPZUSOXDG-FGZHOGPDSA-N 434.613 3.727 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 409249691 VETXOHKAKOAMLF-RVDMUPIBSA-N 437.443 3.976 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2O)cc1 1201401 WDMNURSGKDEVMR-LDADJPATSA-N 433.376 3.734 10 40 IHCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 9060071 COUIQFGYJYSIQY-HAHDFKILSA-N 434.471 3.679 10 40 IHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 9265308 YUEURJUJGVXLJD-KGENOOAVSA-N 443.507 3.583 10 40 IHCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1NC(=O)c1ccco1 9469306 LNAALVIETJZEST-UHFFFAOYSA-N 433.508 3.949 10 40 IHCB Cc1ccccc1OCCn1cccc1/C=C1/C(=N)N2N=C(N3CCCC3)SC2=NC1=O 41085103 XYTUBHXHESZCJO-HCAHLIKDSA-N 448.552 3.548 10 40 IHCB O=C(C1=CN(c2cccc(OC(F)(F)F)c2)c2ccccc2S1(=O)=O)N1CCCC1 49003789 LGYMINFUXPHFFO-UHFFFAOYSA-N 438.427 3.974 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Br)c1OC 101639737 MWBDMCZXAFHMMG-VIZOYTHASA-N 445.269 3.971 10 40 IHCB O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 9730793 FNZKESUWXSDPCX-ZROIWOOFSA-N 449.560 3.693 10 40 IHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833577 MEVCDTJTNNGRBY-DEDYPNTBSA-N 445.431 3.644 10 40 IHCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)O 409190543 RYVSMPVTNDCLGJ-XNFYSYIQSA-N 449.246 3.512 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409244620 GGOZFNIKHQUAJB-GHRIWEEISA-N 447.403 3.920 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4422609 VWEYSUNIRJLFME-OCKHKDLRSA-N 442.606 3.981 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 8972023 PVVMRBPDGMSQRM-CHHVJCJISA-N 448.909 3.584 10 40 IHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(O)c([N+](=O)[O-])c1 408903178 VEVSUKQPSBWECG-NTUHNPAUSA-N 449.204 3.711 10 40 IHCB CC(=O)N1C(=O)/C(=C2\SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc21 2299717 HPDTZVPXBYSMPC-NXVVXOECSA-N 442.294 3.795 10 40 IHCB CN1CCCc2cc(CNC(=O)[C@H]3CCN(c4ccccc4Br)C3=O)ccc21 83878023 NIWIVXNJNFNGKM-QGZVFWFLSA-N 442.357 3.501 10 40 IHCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c1 408692151 FMMIKTRDCPTPFH-UDWIEESQSA-N 449.507 3.594 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1 408952716 MHNFIZUUPOTZPD-CJLVFECKSA-N 428.492 3.772 10 40 IHCB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 6177806 XPZPKSDACQJDFZ-HYARGMPZSA-N 443.459 3.686 10 40 IHCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc2ccccc12 10113567 NGWUCGLWJRWBJZ-UHFFFAOYSA-N 437.565 3.522 10 40 IHCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 26531247 FNGKXTZHVRZQJH-ZDLGFXPLSA-N 429.519 3.868 10 40 IHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cc(Cl)ccc1O 408549853 AIMJPNVBVMYBPV-YFHOEESVSA-N 426.256 3.582 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)c1 408960842 OQRJJZABZWFGTH-RCCKNPSSSA-N 435.549 3.907 10 40 IHCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CCCC(=O)N1CCCC[C@H]1CCO 9348106 QOHHWIXVTVZSMI-SKQHNDAPSA-N 436.574 3.571 10 40 IHCB CCN(CC(=O)NC(C)C)C(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 11648716 WAKFIELIYGEDIY-UHFFFAOYSA-N 440.569 3.657 10 40 IHCB C[C@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 13575565 ZUXZQTWEAGGDBD-LMXARPBLSA-N 439.002 3.693 10 40 IHCB COc1ccc(N2CCN(c3c(C(=O)N4CCCC4)cnc4ccc(F)cc34)CC2)cc1 67287986 QVTUBKXSVCYZJO-UHFFFAOYSA-N 434.515 3.945 10 40 IHCB COc1ccc(N2CCCN(CC3CCN(C(=O)c4sc(C)nc4C)CC3)CC2)cc1 72338551 HIDGDTYSLONBMN-UHFFFAOYSA-N 442.629 3.833 10 40 IHCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1CCS(=O)(=O)O 2967488 CUKZYGAOTUDVNI-ZROIWOOFSA-N 429.928 3.689 10 40 IHCB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135715 ISUWZQHOERDYFG-HSZRJFAPSA-N 434.584 3.578 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccccn1 9221440 XZNQOXWOYHRMFE-HSZRJFAPSA-N 434.521 3.517 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)O 408902755 RAXZYQWNJDEVCV-OVCLIPMQSA-N 445.269 3.727 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)c2C)cc1 8861225 PZABUUGPWBRPPV-SANMLTNESA-N 427.504 3.979 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F 59139520 SQNZDGKJRMRJDK-UHFFFAOYSA-N 448.903 3.665 10 40 IHCB CC1=NC(=S)N(NC(=S)Nc2ccccc2)C(=O)[C@@H]1/N=N\c1ccc([N+](=O)[O-])cc1 100643928 DMDXKVWVNFTMHX-JUUUUTHISA-N 441.498 3.537 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)C 108241633 OTEGGXNQBPXYIE-MHWRWJLKSA-N 431.286 3.706 10 40 IHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cc(Cl)ccc1O 223570134 NEDLUXXRJSBOHB-NHCUHLMSSA-N 442.972 3.813 10 40 IHCB Cc1ccc(C)c(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 408535359 SLBQGCUICWRADT-XNTDXEJSSA-N 428.286 3.953 10 40 IHCB CCOC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214588 MVLQSVHEPGQTFJ-FQEVSTJZSA-N 437.496 3.893 10 40 IHCB COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc(OC)c1OC 32109558 ATFTVHATNQGALD-DALCUZTNSA-N 436.493 3.688 10 40 IHCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)c(OC)c3)S2)cc1 210935207 HSIDYAFHCDGSEH-SJWFJVLYSA-N 428.466 3.638 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)c1C 408951632 JHZGQKCMJOHCDN-RCCKNPSSSA-N 428.492 3.827 10 40 IHCB CN1CCN(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)CC1 9420955 LQBWCUHSAMNCCM-MSUUIHNZSA-N 427.636 3.531 10 40 IHCB Cc1nc([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1CCCN2C 19706092 NZDRRIFKWBUZFH-QHCPKHFHSA-N 439.579 3.870 10 40 IHCB COc1ccc2cc(/C=C3\SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c(=O)[nH]c2c1 102725123 OKELJYJPYCGPMV-MFOYZWKCSA-N 438.486 3.641 10 40 IHCB CC1CCN(c2ccc([C@H](C)NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)CC1 225681497 WKTIBPNMWCUDGA-INIZCTEOSA-N 445.610 3.876 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c(Br)c2)C1=O 2978815 NNCKMLSKOOEHKJ-JLHYYAGUSA-N 445.269 3.523 10 40 IHCB CCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OC 3300244 BUIFJLIGYGMCFW-WQLSENKSSA-N 446.344 3.532 10 40 IHCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 4082651 UUBLHKKQSQBZJU-SMIHKQSGSA-N 443.503 3.812 10 40 IHCB COc1ccc(N2CCN(C(=O)Cc3csc(Nc4ccc(F)cc4)n3)CC2)cc1 16850161 PGIUDACJOKBDQP-UHFFFAOYSA-N 426.517 3.926 10 40 IHCB O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 26688225 RTRQAXZPDOUDAH-YVLHZVERSA-N 439.493 3.964 10 40 IHCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 408817001 SSNMSACVZGQZOA-OQLLNIDSSA-N 430.844 3.509 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)=O 409340294 UGLVHXLDMXOCDW-RQZCQDPDSA-N 430.463 3.935 10 40 IHCB Cc1cc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c(C)n1-c1ccccc1F 12222962 OJRIFKQZWGHMIF-UHFFFAOYSA-N 429.499 3.937 10 40 IHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15659847 ZNTNOINDHSVTCO-WQRHYEAKSA-N 426.860 3.891 10 40 IHCB COc1ccc(N2CCN(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 32893529 HPBRGJJQHPXCKK-UHFFFAOYSA-N 434.496 3.572 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(OC)c1 33545993 SNYJDMXCEAJYSP-CXUHLZMHSA-N 434.926 3.903 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409207742 YWGRORJPPYRIHW-GDNBJRDFSA-N 428.828 3.703 10 40 IHCB CCSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)Nc1ccccc1-2 3108985 PHPCERJFHSKSIG-MRXNPFEDSA-N 442.413 3.676 10 40 IHCB CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 8818985 JZOJWSJRBKTEGZ-BRYYZUPOSA-N 431.491 3.638 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(I)c1OC 113831234 DQOWUKKTDFSMIJ-YRNVUSSQSA-N 435.308 3.530 10 40 IHCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 208192718 SMXYVSBQCTZWMQ-XKYMITNMSA-N 447.491 3.804 10 40 IHCB Cc1cc(C(=O)CSc2ncccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 11034022 SMFRIFTUHMSBSC-UHFFFAOYSA-N 435.958 3.765 10 40 IHCB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9335197 GFUATUMIRDUGTL-UHFFFAOYSA-N 436.423 3.806 10 40 IHCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCCC3)ccc21 13008113 NNEVEQRCERSVRI-QFIPXVFZSA-N 440.975 3.614 10 40 IHCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc1Cl 17057562 WDCMXMUOQYCORF-QPEQYQDCSA-N 446.843 3.881 10 40 IHCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 216344162 JBXBBQDOQHLIDR-UHFFFAOYSA-N 441.597 3.533 10 40 IHCB COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c1C 408901744 BNZCWLWHBKMDHU-XKZIYDEJSA-N 443.528 3.959 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 2121703 FTXYMACROFHGRX-WOJGMQOQSA-N 445.518 3.963 10 40 IHCB CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)c2C)cc1 9603520 YTPFEIFXZUBAMO-IBGZPJMESA-N 441.557 3.633 10 40 IHCB COc1ccc2cc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c(=O)[nH]c2c1 13689102 QXIASKLOQXHIEW-CNHKJKLMSA-N 438.486 3.671 10 40 IHCB COc1ccc(N2CCN(C(=O)Cn3ccc4cc(Br)ccc43)CC2)cc1 20724611 UERNROSATIPJSM-UHFFFAOYSA-N 428.330 3.761 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 218335839 GNVDLYQSKDTHIG-QZTJIDSGSA-N 429.586 3.810 10 40 IHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 408815629 XLHIAEVMMIVLEP-MHWRWJLKSA-N 442.855 3.580 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)c1C 409126158 NZUPVBIMCIUFHK-CPNJWEJPSA-N 445.500 3.624 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(N)=O 409200959 KSQAYEQJXIBUKL-ODLFYWEKSA-N 442.562 3.972 10 40 IHCB COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 1237750 QAQDHXALZRBWSU-ZDLGFXPLSA-N 442.518 3.654 10 40 IHCB COc1ccc(Nc2cc(N3CCOCC3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 8974914 WYGOUKLHTKWTPI-UHFFFAOYSA-N 429.476 3.633 10 40 IHCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3=NC4=CC=C=C[C@@H]4S3)C2=O)cc1 26771397 CWYHEWDXDLNUKP-BQGMYUGNSA-N 439.587 3.783 10 40 IHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223659993 QWFDJUQWDQQLBC-GOTSBHOMSA-N 449.580 3.728 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2ccc3cc[nH]c3n2)C1 257300179 RTFRMXNZGJOKPN-IBGZPJMESA-N 448.567 3.893 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C2=O)cc1 408845100 JZMRNXUPDJIFPG-XNTDXEJSSA-N 444.285 3.617 10 40 IHCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21 409133457 LVEKGSKHNLPUPW-NSIKDUERSA-N 439.356 3.798 10 40 IHCB Cc1cc(C(=O)CN2c3ccccc3CC[C@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13071734 AQAFTRQCXCYBNE-MRXNPFEDSA-N 437.565 3.766 10 40 IHCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(N2CCCCS2(=O)=O)c1 222557664 QPATXMJYAYVYNI-UHFFFAOYSA-N 427.570 3.537 10 40 IHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 9260245 JTDVUWAOPJLTMP-RIYZIHGNSA-N 434.876 3.718 10 40 IHCB O=C(NCc1ccc(N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 10113650 GQJSJIDVQYCHHS-UHFFFAOYSA-N 447.988 3.655 10 40 IHCB Cc1ccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 13660677 YOJBIXLULCOFGX-QNGOZBTKSA-N 433.439 3.681 10 40 IHCB Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1N1CCOCC1 1355563 MLIMTXWCEUAIBR-UHFFFAOYSA-N 426.517 3.794 10 40 IHCB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccc2c(c1)OCO2 3459856 IXYDQBOJPXQAMT-UHFFFAOYSA-N 435.432 3.634 10 40 IHCB COc1ccc2c(/C=C3\SC(=S)N(c4ccc(O)c(C(=O)O)c4)C3=O)c[nH]c2c1 9348640 ROFGQRXQJBSGEB-FMQZQXMHSA-N 426.475 3.986 10 40 IHCB CN(C)c1ccc(/C=C/C(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 78869383 JWGPCKYCFGAEEM-IZZDOVSWSA-N 437.975 3.801 10 40 IHCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1C#N 108289722 TXNUNVPOLVZREF-KGENOOAVSA-N 425.444 3.607 10 40 IHCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 8769523 OWFGBJQAKZVSFG-YBEGLDIGSA-N 440.550 3.757 10 40 IHCB C[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)N1C(=O)/C(=C\c2ccco2)SC1=S 9429882 FXPRVNJCUPRQAD-SGEFVQMOSA-N 443.525 3.849 10 40 IHCB CCCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 16741303 QWSPJGQIRPYJML-PEZBUJJGSA-N 428.583 3.686 10 40 IHCB Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O 59475168 JNYGQUFAAFOPBY-YVLHZVERSA-N 429.263 3.655 10 40 IHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1O 223269304 MRTOGLLLXUFCMU-GOTSBHOMSA-N 435.597 3.729 10 40 IHCB CCCOc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(C)=C2C(=O)OC)cc1OCC 408790670 XPQOPTJKPQXGMH-UZNZLNSGSA-N 429.513 3.726 10 40 IHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=O)c1 409102971 CAKZXSNPSYLZAT-OEAKJJBVSA-N 442.519 3.993 10 40 IHCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)NCCCOC)c12 409141879 JKDQWFWICSJQEJ-PDGQHHTCSA-N 445.610 3.578 10 40 IHCB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 13576246 ZKYJZWMNAHIRLD-AYIJLKOESA-N 438.574 3.897 10 40 IHCB COc1ccc(-c2cccc([C@@H]3CN(Cc4ccc(N(C)CCO)cc4)CCO3)n2)cc1 257241253 HXIGWXFNDBTHOC-SANMLTNESA-N 433.552 3.759 10 40 IHCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408882502 OLNTZEVHSBHLCJ-MHWRWJLKSA-N 429.270 3.823 10 40 IHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 100931044 QELFWBJMUQVTSL-CJLVFECKSA-N 438.553 3.888 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC 409231476 KPXKSKRWCXUNBA-NTEUORMPSA-N 430.913 3.887 10 40 IHCB COc1ccc(N2CCN(C(=O)CN(Cc3ccco3)Cc3cccs3)CC2)cc1 7360303 DOGGHOQRWKFNCD-UHFFFAOYSA-N 425.554 3.701 10 40 IHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)s1 408968139 WQJZZPZOYIPQAQ-YRNVUSSQSA-N 427.732 3.995 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(ccn3[C@H](C)C(=O)O)c2)C1=O 409195858 WKWVCTYWMVFEGH-QFGUUYLXSA-N 431.448 3.516 10 40 IHCB CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 2394816 OCJHOFYNPMUDTI-ZHZULCJRSA-N 434.496 3.514 10 40 IHCB CCCCN1C(=O)N=C(O)/C(=C/c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C1=O 9111402 OXNILVZGXRXCIQ-UYRXBGFRSA-N 449.507 3.902 10 40 IHCB biogenic COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1OC 409075994 WDGQGPXRURIMTM-JLHYYAGUSA-N 446.912 3.506 10 40 IHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)c1 409233313 UUUWXGKHTHMKDK-CPNJWEJPSA-N 446.488 3.834 10 40 IHCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 409240657 HJPOIRDUWCAKBD-UNOMPAQXSA-N 449.898 3.674 10 40 IHCB O=C1C[C@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 24102684 GHUPLHUOXWKGDG-HEUOVEHFSA-N 428.922 3.873 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)O 33550962 ILZLPSXPLXSKCM-GHXNOFRVSA-N 446.344 3.532 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1OC 409215621 CLFSGEHKFRFHPY-HMMYKYKNSA-N 449.507 3.751 10 40 IHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOCCOc1ccc(C)cc1 8916194 MWGYMDBZYGDIQD-ZHZULCJRSA-N 445.562 3.967 10 40 IHCB COc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)cc1 11615681 GNVVODAJAMHNCK-UHFFFAOYSA-N 433.511 3.587 10 40 IHCB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O 17858195 LXPXVPZNTKCSBO-XJUOHMSHSA-N 430.460 3.760 10 40 IHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1OC(C)C 409232079 NVRDIFXZISAZIT-SDNWHVSQSA-N 430.913 3.967 10 40 IHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 1006054 MEEYOPZUAPHAMK-UFWORHAWSA-N 442.493 3.811 10 40 IHCB CN(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 13503976 VEHIUTCVAGQHID-JOCHJYFZSA-N 437.567 3.545 10 40 IHCB CCOc1cc(Br)c(Br)c(/C=C2/SC(=S)NC2=O)c1O 16688119 QDJPZULXMYRVHM-FPYGCLRLSA-N 439.150 3.805 10 40 IHCB CN1CCc2cc([C@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCOCC3)ccc21 22733285 PMWTZBLLXZIETD-NRFANRHFSA-N 433.474 3.501 10 40 IHCB CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)NC2=O)cc1OC 39794054 GWPPQETVHIDXRG-WQRHYEAKSA-N 444.534 3.600 10 40 IHCB O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 44910784 RFDUEBWUEJCPFG-NRFANRHFSA-N 427.976 3.705 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 59194152 MBQBIBYIAPFNOO-ZHZULCJRSA-N 428.444 3.684 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(OC)c1OC 409236336 FFUQHQAUBMBVAK-LICLKQGHSA-N 440.521 3.667 10 40 IHCB COc1ccccc1/C=C1/SC(=S)N(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 8870240 KZJOQLAQQZCNDF-OVCLIPMQSA-N 432.439 3.740 10 40 IHCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c1 18249424 XFERLAHJCNXKPM-FDFHNCONSA-N 443.499 3.818 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC 33656567 CIQZONUUXKEGLU-LDADJPATSA-N 444.534 3.649 10 40 IHCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1 38851117 QYOGIMZRKKAWKV-HXUWFJFHSA-N 427.976 3.909 10 40 IHCB CCCN1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)SC1=S 409338422 JPIRIBLCVRHVNU-XFFZJAGNSA-N 435.308 3.617 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 22335678 ZMZFNMQPGOABGP-SFHVURJKSA-N 447.576 3.705 10 40 IHCB C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 225570829 PMLDCGDMYGAEKJ-LJQANCHMSA-N 441.597 3.637 10 40 IHCB C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)cc2)C1 260566873 YVOPFDICGXHPBU-IBGZPJMESA-N 441.597 3.783 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccccc3OC)c3nnnn3C3CCCC3)CC2)cc1 19556513 FJAKLMISLRNGKE-DEOSSOPVSA-N 448.571 3.717 10 40 IHCB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)ccc21 260802994 VMVBSUWOAHFBQX-INIZCTEOSA-N 445.610 3.798 10 40 IHCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 408946201 YLVLZZZSBPQGCO-XSFVSMFZSA-N 444.443 3.993 10 40 IHCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 409202685 SUHPILZRFDUFPQ-KGENOOAVSA-N 443.415 3.840 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2cccc3[nH]ncc23)C1 585262008 VHOXLLQBHSHQGK-LJQANCHMSA-N 448.567 3.893 10 40 IHCB CN(C)c1ccc(C2N3CC4(c5ccccc5)CN2CC(c2ccccc2)(C3)C4O)cc1 19489315 JYBVSXPYGYSNIE-UHFFFAOYSA-N 425.576 3.633 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101130344 TYOWENJNRJXUCB-NJDAHSKKSA-N 441.414 3.521 10 40 IHCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 222586399 XDQWFHHZXFMPMJ-UHFFFAOYSA-N 427.570 3.537 10 40 IHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccccc1Cl 9060265 ONCQTPBJUUZLHF-STZFKDTASA-N 427.888 3.678 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)c3ccc(C(F)(F)F)cc3)N3CCOCC3)ccc21 13008291 MYSBOJZFZNWDDT-QFIPXVFZSA-N 447.501 3.891 10 40 IHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C(=O)O)c2)C1=O 16695942 AKFLSJULGQEYEB-ATVHPVEESA-N 442.518 3.623 10 40 IHCB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18122489 GGLJFYXFKKPCRV-FDFHNCONSA-N 437.451 3.690 10 40 IHCB biogenic Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O 22327053 GKXMMMDLSYELMJ-UYAOXDASSA-N 443.613 3.875 10 40 IHCB COc1ccc(-n2nc3ccc4c(c3n2)[C@@H](c2ccc(O)c(O)c2)CC(=O)N4)cc1Cl 96223273 ILQYYCFOHFSBRB-CYBMUJFWSA-N 436.855 3.968 10 40 IHCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)c1 408851314 XOKZJTRREFZLEX-HMMYKYKNSA-N 449.507 3.751 10 40 IHCB CCOC(=O)c1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc2c1CC[C@@H](C)C2 938428 PLCSJGVUVKLDSV-MLGOLLRUSA-N 427.526 3.811 10 40 IHCB CCOC(=O)[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)cc4)coc23)C1 41586623 FROVUJTXBRFPKZ-QGZVFWFLSA-N 437.492 3.949 10 40 IHCB COc1ccc(Oc2ccc(N/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 110474743 KMFBEKTVWKIMLK-MOSHPQCFSA-N 433.420 3.655 10 40 IHCB C[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 218264929 RQFGJENRCZVHPB-MSOLQXFVSA-N 447.576 3.705 10 40 IHCB O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225582178 DQYZTINUYQZUQO-UHFFFAOYSA-N 445.966 3.844 10 40 IHCB Cc1nnc(Nc2cccc([C@H]3CN(Cc4ccc5c(c4)CCCN5C)CCO3)n2)s1 257304240 SKSIZPBCWDXTKC-OAQYLSRUSA-N 436.585 3.941 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1O 409077664 FFEYEFCUMRUVNA-PJJXNUOTSA-N 430.345 3.544 10 40 IHCB CCNc1nc(NCC)n2c(SCC(=O)N(c3ccccc3)c3ccccc3)nnc2n1 1072261 CKQQJBYEGWXDJG-UHFFFAOYSA-N 448.556 3.840 10 40 IHCB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O 17751959 LXPXVPZNTKCSBO-FUDKSRODSA-N 430.460 3.760 10 40 IHCB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1ccc(Br)cc1 22714800 PVOYHEXTLYWCLV-UHFFFAOYSA-N 430.258 3.809 10 40 IHCB C[C@H]1CSC2=[N+]1[C@@](O)(c1ccc([N+](=O)[O-])cc1)CN2c1ccc(Br)cc1 27525184 SGQXCQSYDZGFDY-SGTLLEGYSA-N 435.323 3.526 10 40 IHCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccccc3[N+](=O)[O-])C2=O)c1 59104660 QVPRYICAYKBBDJ-RVDMUPIBSA-N 425.397 3.899 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccccc1Cl 1407303 LNBWFMCMPIJMGV-UHFFFAOYSA-N 430.913 3.526 10 40 IHCB CC(C)N1C(=O)/C(=C/c2c(N3CCC[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2665866 LFGAVCDYUODWAP-VQCBNXJZSA-N 428.583 3.540 10 40 IHCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(Cl)c1 9235399 CKYBHPIYCBTIKN-LZYBPNLTSA-N 432.910 3.923 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 408992798 SULDHLJNDFSUTK-FOWTUZBSSA-N 446.444 3.807 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)n1-c1ccccn1 9221442 QEPMDSSZKMKCSN-SANMLTNESA-N 442.519 3.628 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCc1ccc(O)cc1 9253481 ICCYZJVCCIWMGC-AQTBWJFISA-N 446.981 3.996 10 40 IHCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1 16692808 MPVYGECJLRUQLC-MHWRWJLKSA-N 434.926 3.903 10 40 IHCB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 20568745 DIMFTUHFTPGNFD-DRKJYEEOSA-N 449.569 3.893 10 40 IHCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1CCc1ccccc1 51330850 SNLMGLQZBGPONQ-GRSHGNNSSA-N 436.514 3.701 10 40 IHCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)C(O)=NC1=S 59182255 YLVDMJGZBMPQPN-GYZOOYGHSA-N 438.553 3.529 10 40 IHCB O=c1[nH]cccc1-c1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCC1 85877839 VFGNWAXOQHIRNC-UHFFFAOYSA-N 432.436 3.896 10 40 IHCB biogenic O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408692758 UNNKZKWPPRZIIO-XNTDXEJSSA-N 428.828 3.703 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c1 409119836 TXFGPEWXHGVTQU-DEDYPNTBSA-N 445.500 3.624 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 409134478 TZDXMGGVOLMQRL-CPNJWEJPSA-N 446.488 3.834 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C(=O)NC2=S)cc1C 409204749 JYIMJDWFVLCEDH-BCVDLATCSA-N 437.565 3.732 10 40 IHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)nc1 409249347 KGYLXWIYGNGCDG-XDHOZWIPSA-N 430.533 3.937 10 40 IHCB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)N1CCN(c2ncccn2)CC1 8994667 ONFQFZXMZIYZBD-UHFFFAOYSA-N 437.956 3.880 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccc(C)cc3)c3nnnn3Cc3ccco3)CC2)cc1 13505048 JCUYAVDDOMKCFW-XMMPIXPASA-N 444.539 3.543 10 40 IHCB CCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 26532105 UYFCZDSUPGOAJS-CFUNFGEESA-N 442.610 3.788 10 40 IHCB COC(=O)c1ccccc1-c1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)o1 33145044 HNGFJBDYGMUWTC-DUTHXDNBSA-N 448.382 3.915 10 40 IHCB O=c1cc([C@@H]2CCCN(Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2ccncc2)[nH]1 72392967 DRZCDSWEPSHKGF-HXUWFJFHSA-N 433.531 3.951 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 408813400 UEAYNKXERUSGKZ-UHFFFAOYSA-N 428.872 3.684 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 18056316 SWLLMWRMWZRRET-YSFYHYPLSA-N 448.494 3.839 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3O)C2=O)cc1Cl 32125501 DADGNZXHIQRJPN-QPEQYQDCSA-N 435.661 3.783 10 40 IHCB Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)CN1CSCC1=O 58434174 QPOXOYCHEIONTD-QGZVFWFLSA-N 437.487 3.831 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)C1 225681696 LPRDYLAZVAGRFC-HZPDHXFCSA-N 445.610 3.876 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 408757990 TYGHOPBJDCYKCU-XKZIYDEJSA-N 444.491 3.781 10 40 IHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1O 408901290 WVWKWPAIKRRTGV-ZROIWOOFSA-N 445.269 3.528 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)c1 409243276 ZRSBGXYVLKXRQD-DEDYPNTBSA-N 445.500 3.624 10 40 IHCB CCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 16742608 OMCQTKYEZRNCKQ-SSZFMOIBSA-N 428.583 3.542 10 40 IHCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N(C)C1=O 59418194 WTOKSUMAXFEJIO-UHFFFAOYSA-N 447.260 3.601 10 40 IHCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223618601 VXPNSDULWMJNFS-XZOQPEGZSA-N 436.581 3.853 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 409197282 AMHOPJQJJDVHJJ-PYJSORCASA-N 427.888 3.604 10 40 IHCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccn(-c4cccc([N+](=O)[O-])c4)c3)C2=O)cc1 2233220 YVYCLBIFUAIQKG-YBFXNURJSA-N 432.392 3.901 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC(C)=O 9187005 PPWNIKZDYJZSHA-LDADJPATSA-N 442.518 3.557 10 40 IHCB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2c(O)ccc3ccccc23)CC1 13062060 GQDNIIZOAJLPKT-UHFFFAOYSA-N 436.577 3.931 10 40 IHCB N=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(c3ccco3)=NN12 41076749 MWSXMBRCHGGKDC-WSYITQDSSA-N 432.421 3.646 10 40 IHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cc(=O)n2ccsc2n1 9126768 BFOQINLWCIDQNF-UHFFFAOYSA-N 426.523 3.703 10 40 IHCB N=C1/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 15224890 NJPQTDWQXSUAKN-MYEDEKDNSA-N 434.355 3.826 10 40 IHCB Cc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1C 96936847 FJZKLXDNMJSDGR-ODLFYWEKSA-N 440.546 3.663 10 40 IHCB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1 219168447 AMPRGPQXWDUQIO-UHFFFAOYSA-N 429.586 3.540 10 40 IHCB CCCN(CN1C(=O)C(=C(C)C)SC1=S)CN1C(=O)C(=C(C)C)SC1=S 408718354 TZUZIVYXBJEVHO-UHFFFAOYSA-N 429.658 3.922 10 40 IHCB COc1ccc2ccc(OC)c(/C=C3/C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2c1 2264070 PKSNAQFYEWHQDA-UNOMPAQXSA-N 436.464 3.827 10 40 IHCB O=C(CSc1nc(-c2ccc(O)c(O)c2)cs1)N1CCN(c2ccccc2)CC1 8845938 ZKVLPMPQLDMFTK-UHFFFAOYSA-N 427.551 3.662 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OC(C)=O 12412832 FAODMCPATXJCIF-NVNXTCNLSA-N 428.828 3.778 10 40 IHCB COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 35166815 XUMKEUQXSNFRPX-PDGQHHTCSA-N 428.535 3.710 10 40 IHCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 409018739 TZUNNORTOIQIQO-XSFVSMFZSA-N 434.496 3.514 10 40 IHCB Cc1c(O)c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc2c1oc(=O)c1ccccc12 524729820 KTTRTKRWKKPOPU-SJORKVTESA-N 428.488 3.741 10 40 IHCB biogenic Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c2ccccc21 2401356 AYNPWHRYLIQSBW-YVLHZVERSA-N 438.490 3.633 10 40 IHCB CCCOc1c(I)cc(/C=C2/SC(=S)NC2=O)cc1OC 6500663 ZARNWJRLSOHYAU-YRNVUSSQSA-N 435.308 3.577 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 8819238 ZIOZGJCOKWVRCY-SXGWCWSVSA-N 447.469 3.670 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 27530530 ZRFFCFYMDAAFLL-LICLKQGHSA-N 442.518 3.623 10 40 IHCB CN1CCN([C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccc3c(c2)CCCN3C)CC1 22734771 GDAGRKVQEZVRBN-QFIPXVFZSA-N 444.982 3.580 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC 33561048 PLPRRDSMPKIQNR-CAOOACKPSA-N 431.491 3.847 10 40 IHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(NCC(C)C)nc12 2247503 SSWSLYNVOQFANB-SXGWCWSVSA-N 430.599 3.928 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCOCC3)ccc21 13008281 HOACCTUGFVYLBM-JOCHJYFZSA-N 447.501 3.891 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3C(F)(F)F)N3CCOCC3)ccc21 13008315 QTXGIPDWEWVSKO-JOCHJYFZSA-N 447.501 3.891 10 40 IHCB COc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951401 FAXMPVLJKYGCLX-UHFFFAOYSA-N 440.617 3.952 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3O)C2=O)cc1 408901305 XAHXJWRXFGSGLW-WJDWOHSUSA-N 445.269 3.610 10 40 IHCB CN(C)c1ccc([C@@H]2N(C(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1063315 HDVXGNRLVXIEKY-HSZRJFAPSA-N 435.549 3.598 10 40 IHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)c1 9264810 WGYHUZMAJUECKN-PXLXIMEGSA-N 432.524 3.825 10 40 IHCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 58865832 LBERYXROEISZHK-UHFFFAOYSA-N 437.404 3.958 10 40 IHCB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 101099845 GGLJFYXFKKPCRV-BHDDXSALSA-N 437.451 3.690 10 40 IHCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 101122966 HLIIFWLUUZOPLN-MHWRWJLKSA-N 447.232 3.708 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1O 409021634 RDIJRIYZWZDNFH-GDNBJRDFSA-N 429.856 3.940 10 40 IHCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)NCc2ccco2)C1=O 409214676 ZRFQTOGNUQTFBZ-UNOMPAQXSA-N 425.510 3.541 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1C(=O)O 9253061 SRMSQQCLCJTBBK-VIZOYTHASA-N 448.909 3.584 10 40 IHCB CN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Br)cc4)coc23)CC1 20150227 WPKMXENBXGWCTD-UHFFFAOYSA-N 429.314 3.676 10 40 IHCB biogenic O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 35984028 LARGCCICCRRFQG-CHHVJCJISA-N 449.897 3.794 10 40 IHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cc(Cl)ccc1O 223570244 NEDLUXXRJSBOHB-LEWJYISDSA-N 442.972 3.813 10 40 IHCB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)c1ccccc1 257317470 VJVULZWASAWSPV-NTKDMRAZSA-N 444.535 3.706 10 40 IHCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1 408881142 JVAUMGFTGMBBSX-LICLKQGHSA-N 445.269 3.523 10 40 IHCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4Cl)o3)CC2)cc1 882313 ADSJTRLWABVADZ-UHFFFAOYSA-N 444.944 3.840 10 40 IHCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408779448 FAJRKLLTXRDMTM-LDADJPATSA-N 446.444 3.613 10 40 IHCB CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)O)SC1=S 409043306 DUKLVLPYVZOIKW-MLPAPPSSSA-N 430.345 3.770 10 40 IHCB COc1ccc(NC(=O)N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 100363021 BHPHFMZQDWNTPE-BOPFTXTBSA-N 429.274 3.886 10 40 IHCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 409069945 BRQRAZVTTWNWAG-MOSHPQCFSA-N 439.493 3.976 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@@H](C)CC)c(OC)c2)C1=O 409243280 ZRTNHDBHHQEUOE-XOAFGZPJSA-N 438.480 3.938 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 8819113 CTHISFFBOLAWQH-BOPFTXTBSA-N 443.506 3.833 10 40 IHCB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 9135718 ADCJBMJTIDYVKA-DEOSSOPVSA-N 448.611 3.886 10 40 IHCB CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 13286141 XWTPDMCOFIDURW-KQWNVCNZSA-N 433.508 3.895 10 40 IHCB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 13672528 RKIXGGCEZOZXQN-UHFFFAOYSA-N 447.576 3.679 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14414540 VVEAJYKDYQUQEW-AQTBWJFISA-N 439.464 3.598 10 40 IHCB COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc5c(c4)OCO5)o3)CC2)cc1 28223646 RSWOGPIVLNSKGP-UHFFFAOYSA-N 436.464 3.558 10 40 IHCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(F)c(F)c3)c3ccco3)CC2)cc1 56946236 SXQZRZCYUUWTIL-JOCHJYFZSA-N 441.478 3.860 10 40 IHCB CC(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 108945305 VLONLQVOKSCGIO-DHDCSXOGSA-N 446.257 3.606 10 40 IHCB CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)c2ccccc21 207986806 SEUJVOYLLUZFFO-VZMFNRANSA-N 429.520 3.844 10 40 IHCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 16160760 HLIIFWLUUZOPLN-YBEGLDIGSA-N 447.232 3.708 10 40 IHCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccccc3)C2=O)c1 408536091 PQGABRAXWOHSRW-ZHZULCJRSA-N 442.427 3.581 10 40 IHCB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O 409352072 YKMBZSRGFJWANV-NVNXTCNLSA-N 441.347 3.751 10 40 IHCB COc1ccc(CCN2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1OC 8821652 OWRWPPUNYOSFGC-ZCXUNETKSA-N 444.509 3.609 10 40 IHCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(Br)o1 8821887 NYAPRGYNYFQRPC-RVDMUPIBSA-N 436.306 3.974 10 40 IHCB Cc1cc(C(=O)COC(=O)[C@H](NC2CCOCC2)C(C)C)c(C)n1-c1cccc(F)c1 72312525 LIIHTPJSYKKAIY-HSZRJFAPSA-N 430.520 3.752 10 40 IHCB O=C(c1ccco1)c1coc2ccc(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c12 225424670 RPYTXNJABMZOIK-CVEARBPZSA-N 430.460 3.743 10 40 IHCB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)cc3C)C2=O)cc1C 408530510 IZYYLFJJDWUXCB-MHWRWJLKSA-N 428.286 3.953 10 40 IHCB Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc2c(c1)OCO2 3326512 XHLHXCWZNACCHG-UHFFFAOYSA-N 438.431 3.945 10 40 IHCB CN1CCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCCCC3)ccc21 13007746 YINPEUXAGMBZJK-QHCPKHFHSA-N 431.536 3.742 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccccc1F 108243795 DQAOJPNHXPCXGP-AQTBWJFISA-N 433.395 3.774 10 40 IHCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)S2)cc1 208490459 VPMABLJQRPACMC-NVNXTCNLSA-N 430.398 3.690 10 40 IHCB FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc(Br)nc1 97143580 RZLBPOCVRCWZOR-UHFFFAOYSA-N 430.268 3.989 10 40 IHCB CN1C(=O)C(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)N(C)C1=S 408963395 ZFOJRJRPYYYSGV-UHFFFAOYSA-N 437.340 3.792 10 40 IHCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1CCS(=O)(=O)O 2278532 RMLGFCRZXIMZBO-NTEUORMPSA-N 429.928 3.689 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1 8899684 LRBNRGADRLYUDX-RUZDIDTESA-N 431.467 3.809 10 40 IHCB COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22418610 OBILHSGLPCEQQG-NRFANRHFSA-N 445.995 3.525 10 40 IHCB CCOc1cccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)c1OCC(=O)O 409214674 ZQVGDBZNSKZSDL-YBEGLDIGSA-N 432.523 3.504 10 40 IHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)c1 8451825 PZXVTQXWTGQIAC-FYJGNVAPSA-N 443.507 3.637 10 40 IHCB O=C(O)CCCN1C(=O)/C(=C\c2cc3cc4c(cc3nc2Cl)OCO4)SC1=S 13691934 MGRJXQIISCOLAP-MKMNVTDBSA-N 436.898 3.683 10 40 IHCB CCOc1c(Br)cc(Br)cc1/C=C1/SC(NC(C)=O)=NC1=O 13941030 SEYXHPMFHSTJHQ-VZUCSPMQSA-N 448.136 3.717 10 40 IHCB COc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C)CC2)cc1 48044497 RDYTXUHSETXOHO-UHFFFAOYSA-N 439.375 3.585 10 40 IHCB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 223618487 JVPMSIDGTHDLST-ULJHMMPZSA-N 445.519 3.976 10 40 IHCB O=C1C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 1447176 GHUPLHUOXWKGDG-CCAPLTMGSA-N 428.922 3.873 10 40 IHCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 11859684 PGDMXURRODQTTC-AQHRCUNFSA-N 425.491 3.991 10 40 IHCB COc1cccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1OC 13713927 WEXVYISECLIUJO-UHVIJJLKSA-N 429.519 3.601 10 40 IHCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1c[nH]c2ccccc12 33542828 SAHHGAKBOAUZBU-LICLKQGHSA-N 427.576 3.790 10 40 IHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC 408875807 LBJDJWVKFKFBMU-GDNBJRDFSA-N 430.913 3.969 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 408897518 XMNGIAWQNOUSOH-UHFFFAOYSA-N 428.872 3.684 10 40 IHCB Cc1ccccc1N1C(=O)C(=CNN2CCCCC2)C(=O)N(c2ccccc2C)C1=S 1251962 GFNYTEBPQJKKIV-UHFFFAOYSA-N 434.565 3.843 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccccc1Cl 9311645 WBPOVCBKHUNFIL-XNTDXEJSSA-N 430.913 3.574 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)N3CCOCC3)ccc21 13008287 MYSBOJZFZNWDDT-JOCHJYFZSA-N 447.501 3.891 10 40 IHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(Oc3ccc(F)cc3)nc12 13768579 XRUGZQXTEUHDDK-GDNBJRDFSA-N 427.482 3.765 10 40 IHCB CN1CCc2cc([C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)N3CCOCC3)ccc21 22733298 UOXVNCNGWVODJQ-OAQYLSRUSA-N 433.474 3.501 10 40 IHCB CN1C(=O)/C(=C2\SC(=S)N(c3cccc(O)c3)C2=O)c2cc(Br)ccc21 12274864 SQVLHTCDRNCHKI-PFONDFGASA-N 447.335 3.907 10 40 IHCB CCOC(=O)c1sc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C(=O)OC)c1C 44827043 HQBBRHDOFIUALZ-PTNGSMBKSA-N 427.482 3.738 10 40 IHCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1 38851120 QYOGIMZRKKAWKV-FQEVSTJZSA-N 427.976 3.909 10 40 IHCB Cc1nn(Cc2ccccc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 59858844 GPNKSEVRLLARIZ-UNOMPAQXSA-N 449.898 3.780 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3OC)C(=O)NC2=S)cc1 108934041 KBBJWXRGPYFHLL-XSFVSMFZSA-N 437.565 3.935 10 40 IHCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccccc4Cl)no3)CC2)cc1 225811545 NEYFBKXWJCAMTJ-UHFFFAOYSA-N 426.904 3.680 10 40 IHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 408801721 VKDXCCYWXUMRCU-DEDYPNTBSA-N 443.415 3.840 10 40 IHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409094852 GAQZVRMMRCYEIJ-MHWRWJLKSA-N 429.904 3.911 10 40 IHCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(C)Cc3ccc(OC(F)F)cc3)sc2n1 58209519 XJMSNGTYSYHVBL-UHFFFAOYSA-N 449.479 3.912 10 40 IHCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409345176 KDOZFJVMZHWIDH-MHWRWJLKSA-N 430.463 3.552 10 40 IHCB O=C(O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)c1 13800017 FCFRMHGBIBSIKX-YBEGLDIGSA-N 446.371 3.880 10 40 IHCB CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2ccc(OC)cc2)CC1 20191264 ROSMEYDJSLMNAK-UHFFFAOYSA-N 428.540 3.997 10 40 IHCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102732759 SYPBHEQVTDEXFB-RZUBCFFCSA-N 434.423 3.591 10 40 IHCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)nc1 223275844 CROBBQGPKBXCIH-DHIUTWEWSA-N 434.613 3.727 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccccc3)C2=O)c1 408531432 GVWXNWKUZYUXBY-HKWRFOASSA-N 426.428 3.881 10 40 IHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])C(C(=O)OC)=C2C)cc1 409022637 DYMXYYOGUJPEFN-AQTBWJFISA-N 436.420 3.649 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)ccc1OC(C)C 409240203 RWHPQGAXTRRYQN-GXDHUFHOSA-N 430.913 3.967 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H](c1cccc(F)c1)OC21C(=O)c2ccccc2C1=O 4020284 SODOYIODHLUREF-NJYVYQBISA-N 447.462 3.649 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 8819107 QKVHDDRQDSHFJP-BOPFTXTBSA-N 442.518 3.623 10 40 IHCB Cc1c(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)c(=O)n(-c2ccccc2)n1C 8821705 YPCBMXKGPSEKOP-ATVHPVEESA-N 447.545 3.767 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1cccc2nonc12 13572426 USSZXFFZMJWRCI-GDNBJRDFSA-N 428.470 3.592 10 40 IHCB COc1ccc(N2CCN(Cc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)CC2)cc1 25387619 RRGSZUKYZDIZKZ-UHFFFAOYSA-N 432.549 3.982 10 40 IHCB Cc1cc(C(=O)CN2CCC[C@@H]2c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 57903285 PCHGUAAORRZIEH-HXUWFJFHSA-N 443.594 3.823 10 40 IHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C 112292887 ZFXCQGYJLFFHHG-STZFKDTASA-N 438.440 3.564 10 40 IHCB COc1ccc(N(C)CCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225799299 OSIAAMAJQUHAIZ-UHFFFAOYSA-N 426.586 3.744 10 40 IHCB COc1cccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1OCC(=O)O 409327019 GOKHMLCADPFQBH-GZTJUZNOSA-N 444.534 3.630 10 40 IHCB Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CN4CSCC4=O)n3)c2C)cc1 9654866 VKWOCSADMLRTRQ-UHFFFAOYSA-N 426.567 3.997 10 40 IHCB O=S(=O)(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccc2nsnc12 19079274 RPCNPLJDCHKXQT-UHFFFAOYSA-N 444.517 3.616 10 40 IHCB CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 89960829 UAGJEJDVRXQIGC-HXUWFJFHSA-N 429.948 3.532 10 40 IHCB O=C1[C@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 100418521 MUKPFLNQXJJISD-QHAWAJNXSA-N 441.414 3.521 10 40 IHCB O=C(COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 107748336 IOJQQTSACZKFKL-ZHZULCJRSA-N 447.878 3.819 10 40 IHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223695088 IMWDZKJAJOOVOU-DHIUTWEWSA-N 449.580 3.728 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)cc3Cl)C2=O)c1 408527288 DFQBJZJZCOWPSP-UKTHLTGXSA-N 434.677 3.990 10 40 IHCB Cc1cc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c(C)n1-c1ccc(Cl)cc1 13129082 JYIVTFNAPHYFDB-UHFFFAOYSA-N 435.871 3.763 10 40 IHCB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1 15134881 YITIRMJVWKEYAF-UHFFFAOYSA-N 437.565 3.816 10 40 IHCB COc1ccccc1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 19880773 DHXLTHJGDIEBTK-QGOAFFKASA-N 437.546 3.899 10 40 IHCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 28296968 BHFVYCMDWDWDHK-HVIDBACLSA-N 434.451 3.538 10 40 IHCB C#CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1I 33633141 JARZICKTYNHKQP-LCYFTJDESA-N 429.304 3.524 10 40 IHCB CC(C)(C)n1cccc1/C=C1/C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 101735951 NJJLGPMGRDMERH-PTNGSMBKSA-N 432.343 3.837 10 40 IHCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)c2C)cc1 408757391 MVUOTEGYKQNZID-PXLXIMEGSA-N 428.492 3.502 10 40 IHCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 408772947 JDSYDCCXHFFILN-KPKJPENVSA-N 439.733 3.933 10 40 IHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1C 1211554 JLYMWRRKNZVSKF-GDNBJRDFSA-N 429.270 3.741 10 40 IHCB O=C1/C(=C/c2ccco2)SC(=S)N1CCN1C(=O)/C(=C/c2ccco2)SC1=S 1775922 WGIHPKRSVCOPLZ-FOIMCPNXSA-N 448.572 3.975 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O 9188516 LOVFGXVLHBYLMA-SXGWCWSVSA-N 434.926 3.619 10 40 IHCB Cc1ccc(CNC(=O)C2=C3CCCN3c3cc(Br)ccc3S2(=O)=O)cc1 67244864 GVTLFMHCUNJAPM-UHFFFAOYSA-N 447.354 3.673 10 40 IHCB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408800284 LMWKWHKPQDGQLI-LFIBNONCSA-N 429.270 3.903 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3C)C(=O)NC2=S)c(OC)c1 409122155 ZXTQMVOFOPJDMI-QGOAFFKASA-N 447.516 3.634 10 40 IHCB CCCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870193 LYZYPVKDCKYXLF-ISVCHFOKSA-N 446.594 3.984 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)cc1OC 8819471 LICHNVMYAKJJLB-JXAWBTAJSA-N 434.583 3.698 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 9429938 UTWQRCVDCKCKNH-CHHVJCJISA-N 448.909 3.584 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(OC)c1O 409037302 MUNYQLMZVNVMJI-RUDMXATFSA-N 428.313 3.911 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)C(=O)NC2=S)cc1C 409204751 JYIMJDWFVLCEDH-JLDPKJTDSA-N 437.565 3.732 10 40 IHCB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(N2CCCCC2)cc1 8779817 PUEYXWHTVVVONK-INIZCTEOSA-N 440.613 3.785 10 40 IHCB COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137995 VLILQGSNVMUPDR-QHCPKHFHSA-N 437.584 3.800 10 40 IHCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 9311655 TZDAZGUPEPQWDZ-CHHVJCJISA-N 444.285 3.901 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 22326579 HVQIXMGISIXOAV-LJQANCHMSA-N 429.586 3.566 10 40 IHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/N1CCCc2ccccc21 98086654 LIGCQEOOEDMOAR-FOWTUZBSSA-N 442.338 3.534 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 103524040 KTWZKNQVFJGNCP-CZYKHXBRSA-N 436.552 3.828 10 40 IHCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C2=O)o1 108136162 PATRSJNQRONMHN-NDENLUEZSA-N 433.464 3.626 10 40 IHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c1 408692935 YVJMHMYGBNTUDT-KGENOOAVSA-N 449.507 3.675 10 40 IHCB O=C(COc1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1)Nc1ccccc1 631587 BJFQDHZOIVVLTN-UHFFFAOYSA-N 429.428 3.886 10 40 IHCB CCOc1ccc(N2C(=O)N=C(O)/C(=C/NN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 8995102 MEJTZRSTFHVSQT-RMWKRFJVSA-N 435.484 3.519 10 40 IHCB COc1ccc(N2CCN(C(=O)c3csc(-c4ccc(OC)c(OC)c4)n3)CC2)cc1 12563628 SYHKRGWBYIXDCR-UHFFFAOYSA-N 439.537 3.798 10 40 IHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 100423091 ACDGIFVVMOEASV-JWGURIENSA-N 447.520 3.991 10 40 IHCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 225847842 VAZATRWXZLRAJY-JOCHJYFZSA-N 431.602 3.702 10 40 IHCB CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)NCc3ccccc3)c2)SC1=S 408571514 BMUVBYLGKILODX-UNOMPAQXSA-N 426.563 3.991 10 40 IHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)c1 409224453 HRWPLHOGSUTBAT-DEDYPNTBSA-N 430.464 3.554 10 40 IHCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(Br)o3)C2=O)c1 9311344 FENQBONOHVTFMW-LCYFTJDESA-N 449.257 3.506 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)c(OC)c1 12274932 ZNHBEZSPLLIZOK-MFOYZWKCSA-N 433.507 3.832 10 40 IHCB COc1ccc(N2CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC2)cc1 12564276 YDMWWGCDQNCMJY-LJQANCHMSA-N 431.945 3.500 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1ccc(O)cc1 13572437 PAPUFHWHVFDFGV-CYVLTUHYSA-N 426.563 3.733 10 40 IHCB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)cc1 33683023 SQOPASWVZZEEAA-QNGOZBTKSA-N 433.460 3.915 10 40 IHCB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N(CC)CC)cc3)ccc21 225736853 HVMRJNILLWULNN-UHFFFAOYSA-N 433.599 3.798 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)C(=O)NC2=S)cc1 409017494 WYKABQGYWNGTRP-DEDYPNTBSA-N 446.484 3.989 10 40 IHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(OC)c1 409338336 IAFYUXRUBDATNW-CXUHLZMHSA-N 434.926 3.903 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)cc1 1163548 ISWUVZPVTXIHHQ-ZHZULCJRSA-N 431.517 3.934 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 8819108 ZRFFCFYMDAAFLL-YVLHZVERSA-N 442.518 3.623 10 40 IHCB CCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)cc1OC 33563286 ZJNYEQZJTZSDJC-PDGQHHTCSA-N 438.436 3.879 10 40 IHCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(=O)[nH]c2)c(C)n1-c1ccc(OC(F)F)cc1 40119065 LNKQTOSNIGQAEP-CQSZACIVSA-N 430.407 3.812 10 40 IHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 409000591 YZNZSEGHSLCAKA-PDGQHHTCSA-N 438.436 3.879 10 40 IHCB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 8685191 JSSAMZSLPDYSDC-ACJLOTCBSA-N 439.895 3.967 10 40 IHCB aggregator COc1ccc2c(c1)CCCN2CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 21333399 JGGCKYXCCHSZSA-LJQANCHMSA-N 433.430 3.754 10 40 IHCB CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 23080576 LMRYLKRTYQNZCR-VWLOTQADSA-N 438.616 3.650 10 40 IHCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 101486088 XELSQRYVFXHJRX-BHDDXSALSA-N 437.451 3.690 10 40 IHCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223290203 CIKBXSKVEHNSHA-PKTZIBPZSA-N 435.597 3.723 10 40 IHCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(SC)cc3)C2=O)c1 408850247 JKLOFTZZPVLGEW-SFQUDFHCSA-N 426.494 3.872 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)=O 409328786 ATNHZODODMKCEN-LSCVHKIXSA-N 429.475 3.755 10 40 IHCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1cccc(F)c1 9419177 VENMWPDFRBKWJT-UBKPWBPPSA-N 426.450 3.802 10 40 IHCB COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccc(OC)cc3)CC2)cc1 13503884 MBAXDTNIHKWSRJ-XMMPIXPASA-N 448.571 3.717 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 32856167 YBCHLAHDROMEFI-HXUWFJFHSA-N 445.972 3.638 10 40 IHCB O=c1oc2c(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)ccc2cc1-c1ccccc1 85387532 VQRWNRTZFBOALJ-FXAWDEMLSA-N 440.499 3.947 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCC3)c(F)c2)C1=O 409233135 QTURRTBQYSWEOW-SAPNQHFASA-N 437.471 3.881 10 40 IHCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 660583 NXSZQBCCGASVDI-CRRKTRLDSA-N 440.521 3.712 10 40 IHCB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)c1 13748485 AXKWWXNPPVDZTF-QNGOZBTKSA-N 446.532 3.850 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 409241554 OKCLDMOMXLUSLE-GHRIWEEISA-N 439.512 3.656 10 40 IHCB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 8879653 YSBGQBQNPWJVFO-UHFFFAOYSA-N 446.478 3.670 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)n1-c1ccccn1 9221441 QEPMDSSZKMKCSN-AREMUKBSSA-N 442.519 3.628 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)c2C)cc1F 9478153 DXUZVXZIULQAIH-QGZVFWFLSA-N 429.521 3.682 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 16678462 ADYKHXTYDMSGOQ-RCCKNPSSSA-N 430.508 3.719 10 40 IHCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1cccc(F)c1 33658085 NXYCGVNKKVYJTI-WOJGMQOQSA-N 445.497 3.976 10 40 IHCB COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 102711262 UUBLHKKQSQBZJU-WXFUMESZSA-N 443.503 3.812 10 40 IHCB C[C@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 218225742 RPFKXUZKTUVFRE-MOPGFXCFSA-N 429.586 3.566 10 40 IHCB CN(c1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1)S(C)(=O)=O 225416993 PODGOXFHVLAJFD-UHFFFAOYSA-N 432.615 3.559 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3)C(=O)NC2=S)c(OC)c1 409095836 DLUCRLOFLOEFGB-CPNJWEJPSA-N 447.516 3.634 10 40 IHCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(C)n(C)c2C)C(=O)NC1=S 9933396 PAJZODMWYJWMJZ-DHDCSXOGSA-N 432.343 3.544 10 40 IHCB CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1cccc(OC)c1O)N2 15830186 RMLXICTXVNAQCQ-IBGZPJMESA-N 439.512 3.579 10 40 IHCB biogenic COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)cc1 208446493 PXCLDTCABSKAOH-DEDYPNTBSA-N 431.492 3.993 10 40 IHCB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409048589 SKIRBSZMCOWSOZ-WUXMJOGZSA-N 436.207 3.577 10 40 IHCB CCOc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1OCC(=O)O 409213773 VDLFGGQMUGUQJI-GZTJUZNOSA-N 429.519 3.950 10 40 IHCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 409223282 FDBSBAZRLAQUIR-RVDMUPIBSA-N 435.427 3.730 10 40 IHCB COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 1203036 DYRYENLKFMFNMQ-AQTBWJFISA-N 428.535 3.934 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1OC 1815057 FDLZXRWZCRWRLH-DYTQJMLRSA-N 427.569 3.501 10 40 IHCB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 106707127 WDNPGSIMGSYSOH-MOSHPQCFSA-N 439.493 3.976 10 40 IHCB O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 108067833 CAWADVWQVBLCTN-VWLOTQADSA-N 442.519 3.536 10 40 IHCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)C(C(=O)OC)=C1C 108974040 KFQBFXSDKATYMN-WPGBELRESA-N 448.519 3.635 10 40 IHCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223290157 CIKBXSKVEHNSHA-DHIUTWEWSA-N 435.597 3.723 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1OC 408767316 FPZUHTNYNKOCEX-HKWRFOASSA-N 437.492 3.628 10 40 IHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4nccs4)c4ccccc34)[C@H]21 1616044600 GGPKEWLYJIKTGJ-QFIPXVFZSA-N 443.532 3.883 10 40 IHCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 8884263 ZPLPKHBWBBBLTM-NCPSJORJSA-N 435.454 3.605 10 40 IHCB COc1ccc(N2CCN(C(=O)CS[C@H]3CCc4ccccc4N=C3O)CC2)cc1 12323396 JHSIYKFUGJEEJX-NRFANRHFSA-N 425.554 3.680 10 40 IHCB Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)c1 22327531 YRVAMXNQIMBNAX-VQTJNVASSA-N 443.613 3.875 10 40 IHCB CN1CCN([C@@H](CNC(=O)c2cccc3ccccc23)c2ccc3c(c2)CCN3C)CC1 22733771 IBJVOEBAFNMCJI-SANMLTNESA-N 428.580 3.551 10 40 IHCB COc1ccc(C)c2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 33633118 JLCKFNZMEIYGKY-QTEQDKRBSA-N 440.565 3.851 10 40 IHCB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1 106705138 VBLZUWAJPQNKHV-MOSHPQCFSA-N 439.493 3.976 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 408983761 HNJBSHSBZRMLED-WJDWOHSUSA-N 442.313 3.744 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409105838 LEGSCVTZQFHFDF-QGOAFFKASA-N 449.507 3.533 10 40 IHCB COc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c(OC)c1OC 9972506 CARICCKQFZSLPQ-CYVLTUHYSA-N 439.537 3.505 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3sc4nc(C)nn4c3O)CC2)cc1 23156826 QVXBVRYKIJLZPQ-FQEVSTJZSA-N 435.553 3.725 10 40 IHCB CC1(C)OC(=O)C(=CNc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)C(=O)O1 35592627 BLVZZHKGWMFTMN-UHFFFAOYSA-N 432.841 3.702 10 40 IHCB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 219012598 MRDFZVRGOWGNSA-HXUWFJFHSA-N 443.613 3.729 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)C1 225423422 WJDXPMODJWKTKX-QZTJIDSGSA-N 429.586 3.664 10 40 IHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N2CCN(C)CC2)o1 409042947 LTVYSEOLRBTBLG-FMIVXFBMSA-N 440.372 3.533 10 40 IHCB Cc1ccc(OCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c(C)c1 2263259 LTGDPCSTLMEQKP-UHFFFAOYSA-N 431.492 3.771 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 9265416 VBHGFEXENZIQCJ-ODLFYWEKSA-N 443.459 3.798 10 40 IHCB CCn1c(-c2ccccc2)cnc1SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9516954 PHZJOKXECFNPOA-LJQANCHMSA-N 447.626 3.620 10 40 IHCB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 409208579 CWPSPTFGFDMNRS-ZHZULCJRSA-N 437.521 3.970 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1OC 409231618 DEMBENVUPZXCNE-NTEUORMPSA-N 446.912 3.506 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccc4ncccc4c3)c3nnnn3C(C)C)CC2)cc1 13150751 ZRHISPODYFWSAG-DEOSSOPVSA-N 443.555 3.722 10 40 IHCB CCN1C(=O)C(=Cc2ccc(OCC(C)C)c(Br)c2)C(=O)N(CC)C1=S 408600759 FXWLRTDBBASGIH-UHFFFAOYSA-N 439.375 3.863 10 40 IHCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC 408725961 NPCJUWZXOJTKKT-RGEXLXHISA-N 438.480 3.939 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1 409073412 HNFMVRDYMAENFC-LDADJPATSA-N 439.512 3.656 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccccc1 8898298 QXIHGDCHBAMIRW-RUZDIDTESA-N 429.476 3.507 10 40 IHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(O)c(Cl)c1 9934514 FVLCSRMDHQGSNL-SDQBBNPISA-N 437.702 3.639 10 40 IHCB CCOC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccccc3O)=NN12 10214480 GVPHXMSEFHZOQV-LJQANCHMSA-N 437.496 3.893 10 40 IHCB O=C1N[C@@H](c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)Oc2ccccc21 59488801 ZSTFBKBYODZRES-XMMPIXPASA-N 430.464 3.742 10 40 IHCB COC(=O)C[C@H](c1ccncc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222354 RPQTXTAZFYLFQO-OAHLLOKOSA-N 433.416 3.667 10 40 IHCB biogenic O=C1NC(=O)C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)N1 408775535 UGVRGYABIPZAHH-UHFFFAOYSA-N 425.897 3.836 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(C)Cc3ccccc3)C2=O)cc1 8819139 SHTXQRQJQIRQKI-UYRXBGFRSA-N 426.563 3.945 10 40 IHCB CCNc1cc(N2CCN(C3CCCCC3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 9130721 OYOSFGXKGSEHEV-UHFFFAOYSA-N 432.568 3.931 10 40 IHCB CCOc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)ccc1O 9461857 TWZDKZDJEDNFMF-VKMKFJCDSA-N 436.493 3.797 10 40 IHCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2c1 33318063 NXBFTSNWWHKVIH-DEDYPNTBSA-N 434.448 3.892 10 40 IHCB CN(C)c1ccc([C@H]2N[C@H](c3ccc(N(C)C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 33929632 AZYNBZDCAGSMDT-CZYKHXBRSA-N 441.532 3.521 10 40 IHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC(C)(C)C 34835753 WATYSLXIOSSUGO-WJDWOHSUSA-N 425.441 3.632 10 40 IHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1 112290051 OBJBHBUZOROZHX-UNOMPAQXSA-N 428.832 3.900 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 169680749 HBEGEVRYDQYKLS-NJYVYQBISA-N 441.414 3.521 10 40 IHCB O=C(NN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S)c1cccs1 409339865 LZFSNYMEQUHBOL-KPKJPENVSA-N 441.353 3.762 10 40 IHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c1 9264461 MCCBBOVYEXCBGC-CPNJWEJPSA-N 445.500 3.624 10 40 IHCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)O 59138784 HADZAJUCTZGINQ-XSFVSMFZSA-N 443.459 3.801 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1C1CCCC1)[C@H](c1ccccc1Cl)OC21C(=O)c2ccccc2C1=O 101482360 YBJZLDUSZIIPTM-AQNXPRMDSA-N 449.890 3.773 10 40 IHCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3F)cc2)CC1 225776716 YDXLYTNVIOLVRF-UHFFFAOYSA-N 437.382 3.827 10 40 IHCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)c2C)cc1 3389110 HVLVNGHHSWSGQI-AREMUKBSSA-N 443.503 3.679 10 40 IHCB aggregator CN1CCN([C@H](CNC(=O)Cc2cccc3ccccc23)c2ccc(N(C)C)cc2)CC1 22589311 DQTVRPIEYHHIOT-AREMUKBSSA-N 430.596 3.553 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(O)cc1 33582303 KGELOFJKMVSBPH-QZEQKTIESA-N 442.504 3.862 10 40 IHCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408947213 BGJORDDETSSPDG-LDADJPATSA-N 430.416 3.634 10 40 IHCB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3O)C2)c1 9060593 PFZYTVTUFWJRCS-GOSISDBHSA-N 441.534 3.817 10 40 IHCB COc1ccc(N2CCN(CCCNC(=O)COc3ccc4ccccc4c3)CC2)cc1 9919809 OBDOQRFMDYBERU-UHFFFAOYSA-N 433.552 3.556 10 40 IHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccn1 223216120 HEJXPIUCXXKROS-GOTSBHOMSA-N 434.613 3.808 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C(=O)NC1=S 409168779 SQLIGKPEZXPQBP-QGOAFFKASA-N 446.532 3.637 10 40 IHCB CN1C(=O)C(=C2C=C(/C=C/c3ccc(N4CCOCC4)cc3)CC(C)(C)C2)C(=O)N(C)C1=O 685944706 SRXPWICOGOLBIM-AATRIKPKSA-N 449.551 3.630 10 40 IHCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cccc1OC 1106536 HLQNMBMTHNTABU-VLURKWGBSA-N 428.485 3.843 10 40 IHCB CCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2378008 JWNNNFMSPOGPRV-PTNGSMBKSA-N 427.482 3.847 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CCCC3)ccc21 16838220 SQQVOMVNGFTAFC-SFHVURJKSA-N 432.362 3.991 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 103524042 KTWZKNQVFJGNCP-YUMYIRISSA-N 436.552 3.828 10 40 IHCB COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 8799085 HHCUPPSOKJSMIL-JOCHJYFZSA-N 443.613 3.501 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 13940154 BVOKLSUSJNRCBP-JWGURIENSA-N 445.431 3.514 10 40 IHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 106400373 YGRSVIBUWOLDRY-BHDDXSALSA-N 437.451 3.690 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 8819063 ULZBXSCBLUMBTQ-QGOAFFKASA-N 437.546 3.899 10 40 IHCB O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13646603 VRACRGSGKJNZNS-WIWNTQSISA-N 439.967 3.988 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 225385105 DAYDKRTZYZNFEC-UHFFFAOYSA-N 431.602 3.704 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 408755810 WIMATOPPSHSFKV-AUWJEWJLSA-N 436.243 3.724 10 40 IHCB COC(=O)c1ccccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 408903592 TYYNOZLVCMJVSH-BKUYFWCQSA-N 429.501 3.651 10 40 IHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OC 408986104 ZOHFPLDLIJSMAU-YBEGLDIGSA-N 428.872 3.976 10 40 IHCB O=C(O)COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 409066640 BCVGLQVLRQXSIB-UHFFFAOYSA-N 442.427 3.733 10 40 IHCB CCOC(=O)COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Cl 409136666 YELNQDWGEJAUBK-BOPFTXTBSA-N 444.896 3.682 10 40 IHCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409339304 TWZZHFILIBWDGF-GZTJUZNOSA-N 444.490 3.943 10 40 IHCB CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1839175 DDDUALSLQKJJIG-GDNBJRDFSA-N 432.548 3.765 10 40 IHCB CCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3ccccn3c2=O)SC1=S 2445336 LNUHTHVUVZMYGT-PEZBUJJGSA-N 430.599 3.932 10 40 IHCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1 13540103 VJHHEAUYOJPQKE-YVLHZVERSA-N 442.518 3.629 10 40 IHCB O=C1N=C(O)/C(=C\c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)C(=O)N1 20534056 WUPFJMOILKVQTP-UHFFFAOYSA-N 426.435 3.945 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(N)=O 409215076 ZSHWYMPCTRVASS-WQRHYEAKSA-N 428.535 3.664 10 40 IHCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(F)cc1 13343696 RZNGVESDPODIKT-MFOYZWKCSA-N 433.482 3.699 10 40 IHCB Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)cc1 22327959 RMLHGCZDNCEIFM-HXUWFJFHSA-N 443.613 3.875 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)S1 32109970 ZHDHEMHYAWNDRK-RQZCQDPDSA-N 431.857 3.934 10 40 IHCB CCOC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cl 95471572 DBZWTGIUTPSGND-GDNBJRDFSA-N 448.262 3.749 10 40 IHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(O)cc1 223269440 YZQPFCBHLUQXDZ-PKTZIBPZSA-N 435.597 3.729 10 40 IHCB C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCC[C@@H](C)C2)cc1 225681722 LPRDYLAZVAGRFC-CVEARBPZSA-N 445.610 3.876 10 40 IHCB COc1ccc(-c2cccc([C@H]3CN(Cc4ccc(N(C)CCO)cc4)CCO3)n2)cc1 257241252 HXIGWXFNDBTHOC-AREMUKBSSA-N 433.552 3.759 10 40 IHCB Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408534404 LUZXAXQXONKNFT-MREAEQNBSA-N 444.487 3.865 10 40 IHCB CN1C(=O)/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)NC1=S 408917344 RMUNDSRGUPNTHY-XDHOZWIPSA-N 447.472 3.584 10 40 IHCB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1C 10113188 VBAKLTHYFGIDMY-HXUWFJFHSA-N 443.613 3.765 10 40 IHCB CCNc1nc(-c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)cs1 13039860 HIEKEHKGPLEEMX-UHFFFAOYSA-N 446.598 3.670 10 40 IHCB CC(C)N1C(=O)/C(=C/c2c(N3CCC[C@H](C)C3)nc3ccccn3c2=O)SC1=S 16700247 LFGAVCDYUODWAP-HNDQUVLASA-N 428.583 3.540 10 40 IHCB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNCCCc3ccccc3)c2oc1=O 20622100 ZIMJLWLLUXBDTG-UHFFFAOYSA-N 429.900 3.898 10 40 IHCB COc1ccc(N2CCN(CCNC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 38588996 IWCGUZCNZIJYJH-UHFFFAOYSA-N 444.579 3.906 10 40 IHCB CN(c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)c1)S(C)(=O)=O 222519988 RJILHZKLMOSWLN-UHFFFAOYSA-N 435.977 3.656 10 40 IHCB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)ccc21 260763863 IKVGEXPKGZOBEC-SFHVURJKSA-N 441.597 3.701 10 40 IHCB Cc1ccc(CN(CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 260816635 XXOPTVBYNQDCLI-HXUWFJFHSA-N 443.613 3.624 10 40 IHCB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC 408867558 IXSWGSRLCKPWMM-GDNBJRDFSA-N 428.872 3.976 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408981076 YVRQQKRUMUOIPP-UYRXBGFRSA-N 437.492 3.628 10 40 IHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 409251792 QHAAQTBZWBZFQW-GZTJUZNOSA-N 426.354 3.558 10 40 IHCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cccc1OC 9260271 RGJFBILKNTWCKY-VVBXCHJUSA-N 428.485 3.843 10 40 IHCB Cc1cc(CNC2CCN(S(C)(=O)=O)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1 30656747 MESAAWYZEUINSQ-UHFFFAOYSA-N 430.401 3.915 10 40 IHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c2C)c1 38202753 FLIBSOVBJYFBFA-YVLHZVERSA-N 444.534 3.557 10 40 IHCB CSc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C(=O)N1CCCC1 223891305 GOWPXAVADNFELV-UHFFFAOYSA-N 447.626 3.531 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCC(=O)O 409083144 KOYHNALDHATOEB-ZHZULCJRSA-N 428.444 3.993 10 40 IHCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)OCO2 409099267 KQQCKPAWJQJICA-XGICHPGQSA-N 449.246 3.787 10 40 IHCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1 409099559 UDUCFZJABKYPBM-ZHZULCJRSA-N 437.521 3.507 10 40 IHCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 1801622 WVURENJCOKEWAD-CXUHLZMHSA-N 445.474 3.506 10 40 IHCB CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 13073959 JZOJWSJRBKTEGZ-CIKBWMHTSA-N 431.491 3.638 10 40 IHCB COc1ccc(-c2csc3c(=O)[nH]c(N4CCN(c5ccc(OC)cc5)CC4)nc23)cc1 67245896 QHMKRCDBKTVICJ-UHFFFAOYSA-N 448.548 3.995 10 40 IHCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 222681657 LUSOUDBCKAUADL-ZLGUVYLKSA-N 439.541 3.806 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 2119688 RIKZNSVYMMYTKW-LDADJPATSA-N 427.888 3.861 10 40 IHCB CCOC(=O)c1ccc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 8870011 UAPRAFZLHITNOJ-SFQUDFHCSA-N 426.519 3.947 10 40 IHCB O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 16431454 QIVISPXZKSCYQY-SXGWCWSVSA-N 438.798 3.871 10 40 IHCB COC(=O)c1ccc(CSc2nnc(N3CCN(c4ccc(OC)cc4)CC3)s2)o1 23140005 BYMMCEVFMLWBSP-UHFFFAOYSA-N 446.554 3.545 10 40 IHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1cn(CC(=O)O)c2ccccc12 59639079 YBYQELOXMJDMLE-PXNMLYILSA-N 437.839 3.884 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(O)c1 408890685 XPDFTLZDAFMMCK-FYJGNVAPSA-N 444.443 3.646 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC(C)C 408908717 CWAOZSIGRLRIRN-VIZOYTHASA-N 432.835 3.941 10 40 IHCB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(F)cc1 15811968 VNHAELGPIYADPO-AWEZNQCLSA-N 436.443 3.587 10 40 IHCB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(N2CCOCC2)cc1 225305008 LFKHOLUQVYBWQS-ULJHMMPZSA-N 445.519 3.512 10 40 IHCB COC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O 408549809 ZLXCSAFQUSZFHD-YBFXNURJSA-N 437.883 3.717 10 40 IHCB Cc1cc(C(=O)COC(=O)Cc2ccc3c(c2)OCCO3)c(C)n1-c1ccc2c(c1)OCO2 9130939 GFBOZSVNVSOHDA-UHFFFAOYSA-N 449.459 3.563 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1cccc(F)c1 11591674 NWUWBIXRILDUFC-VWLOTQADSA-N 447.466 3.646 10 40 IHCB CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2Sc2cccc3cccnc23)C(=O)N(C)C1=O 59488618 OEBCAQVULRIRJO-UHFFFAOYSA-N 448.460 3.728 10 40 IHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 1238479 YTNGQXNVMAFVRT-ODLFYWEKSA-N 443.546 3.957 10 40 IHCB COc1ccc(N2CCN(C(=O)Cn3c(-c4cscn4)nc4ccccc43)CC2)cc1 9642804 IHUYGENUJMTQNZ-UHFFFAOYSA-N 433.537 3.517 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)ccc1O[C@@H](C)C(=O)O 15013102 LASXPKWCGXMZJI-FBKCMUNRSA-N 438.436 3.671 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)C1 260908023 WJDXPMODJWKTKX-ROUUACIJSA-N 429.586 3.664 10 40 IHCB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)N(c4ccc(C)cc4)N=C3C)cc21 408529315 HLNYZJKCMNTYOK-LGMDPLHJSA-N 448.483 3.778 10 40 IHCB Cc1cc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)ccc1Br 16282187 IQHPJAWLSRBWKT-GHXNOFRVSA-N 446.213 3.878 10 40 IHCB COc1ccc(N(C)CCC(=O)N2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)cc1 72353483 SKDGRELNXDTYDX-LJQANCHMSA-N 446.555 3.856 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408816160 SRAXYRXYCTWXGP-XNTDXEJSSA-N 429.270 3.741 10 40 IHCB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc2c(c1)OCO2 409327596 LDFVHVLIOXCBRP-YBFXNURJSA-N 426.519 3.658 10 40 IHCB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1 2672426 OKZWSWQZDPHHJQ-UHFFFAOYSA-N 444.491 3.776 10 40 IHCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc([C@@H](C)CC)cc3)nnc2n1 3221445 PIGTWKJUJUVDSS-ZDUSSCGKSA-N 428.566 3.627 10 40 IHCB CC1=CC2=NC(=O)/C(=C/c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=N)N2O1 4650018 JLVISQPEQJMDLD-XMXKVSBUSA-N 426.432 3.869 10 40 IHCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 9215831 AIMAQRLODNGKQC-MUBYSKIDSA-N 439.002 3.695 10 40 IHCB COc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)c1 9553821 WWDFLMPDORZIQP-WQRHYEAKSA-N 446.506 3.892 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 13572155 FLSOPGAYSMPJBM-GRSHGNNSSA-N 439.537 3.867 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccccc3)C2=O)cc1 13661603 BHOKDTCRDVTWSJ-XLNRJJMWSA-N 429.476 3.796 10 40 IHCB CN1C(=O)C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N(C)C1=S 59139724 PNIYKOOOGNXLHX-UHFFFAOYSA-N 439.718 3.961 10 40 IHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Br 408866405 HFDCEQBDHQKRSU-XFXZXTDPSA-N 433.233 3.653 10 40 IHCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 409071973 TWDPVXOKGKRBSY-MOSHPQCFSA-N 439.493 3.976 10 40 IHCB COc1cc(OC)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Br 409129561 GPCWHFDQAIXXIE-SXGWCWSVSA-N 447.310 3.867 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 9322968 DTGLVAFRYIJZFR-QFIPXVFZSA-N 443.547 3.688 10 40 IHCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1C 13008079 HPIRAEQFPWGXMP-XMMPIXPASA-N 434.584 3.578 10 40 IHCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 13572677 HQXFMWPUCXBHIH-MQAFWTGPSA-N 430.595 3.598 10 40 IHCB O=C(C1=CN(c2ccc3c(c2)OCCO3)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 35527525 PWEFDNMAMJADOB-UHFFFAOYSA-N 446.912 3.500 10 40 IHCB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 225570438 VJUABGCDAJGGLE-IBGZPJMESA-N 441.597 3.952 10 40 IHCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 260769382 LUSOUDBCKAUADL-CZAAIQMYSA-N 439.541 3.806 10 40 IHCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)C(=O)N1 409046040 IGOYRTILRGJDLC-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)NC1=S 409171504 CKPXGYXRHHRMKS-RGEXLXHISA-N 431.517 3.934 10 40 IHCB CCn1c2ccccc2c2cc(N/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)N=C3C)ccc21 8993245 RJVDGUIVUNJRCZ-UOBPLZBXSA-N 436.537 3.515 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138071 WUTRWXIQSVTLDK-XMMPIXPASA-N 434.584 3.659 10 40 IHCB CCCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 27016312 JIPPWXRDFWRTSZ-SAPNQHFASA-N 442.610 3.932 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc(C)c1 408874940 FNCCMJISGZPAOW-UHFFFAOYSA-N 430.913 3.540 10 40 IHCB COc1cc(OC)c(OC)cc1/C=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O 10382339 VYWKDNGDRZKLCT-KGENOOAVSA-N 439.537 3.505 10 40 IHCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 18180061 TYOWENJNRJXUCB-PCCBWWKXSA-N 441.414 3.521 10 40 IHCB CN(C)c1ccc(/C=c2/sc3nc([C@@H]4[C@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 27024314 ONAVNDPXHCQBMD-XDVHSGBSSA-N 435.380 3.823 10 40 IHCB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)c1ccccc1 257317471 VJVULZWASAWSPV-YADARESESA-N 444.535 3.706 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1 409373403 RNRUYDWEWAJQHY-XDHOZWIPSA-N 432.432 3.529 10 40 IHCB CCCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 16737441 KZSYSNPHAFHNLW-VKAVYKQESA-N 442.610 3.995 10 40 IHCB O=C(COC(=O)c1sccc1-n1cnnn1)Nc1ccc(/N=N/c2ccccc2)cc1 32912292 FBZKLBQIBHYTNU-WCWDXBQESA-N 433.453 3.935 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1c[nH]c2ccccc12 33558585 YPZCYKOCDCNYIO-LDADJPATSA-N 425.535 3.711 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OC(C)C)C2=O)cc1 408893411 AEQXTRZBSRPOOC-MOSHPQCFSA-N 438.480 3.938 10 40 IHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1 408895185 CUCCVWOLJBXXFO-RGEXLXHISA-N 438.480 3.939 10 40 IHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 409188340 GUROIPSWLIBTGA-GZTJUZNOSA-N 436.420 3.615 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1 4109097 LGVVQGLKSKDKPZ-WOJGMQOQSA-N 429.519 3.950 10 40 IHCB CN1CCN([C@H](CNC(=O)c2cccc3ccccc23)c2ccc3c(c2)CCN3C)CC1 22733774 IBJVOEBAFNMCJI-AREMUKBSSA-N 428.580 3.551 10 40 IHCB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 102025785 DIMFTUHFTPGNFD-MWRXHXJCSA-N 449.569 3.893 10 40 IHCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\NNc1ccc(C)cc1 13634888 WFOSEBHDSMFRNV-BOPFTXTBSA-N 432.265 3.823 10 40 IHCB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 13669037 HAOPMLXLOGGRKU-UHFFFAOYSA-N 441.597 3.700 10 40 IHCB COc1ccc(N2CCN(Cc3nc4sc(-c5ccccc5)cc4c(=O)[nH]3)CC2)cc1 32738478 YIUVLYKKSIYSMC-UHFFFAOYSA-N 432.549 3.982 10 40 IHCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 409216795 LNVXARWXRBWXMK-UDWIEESQSA-N 442.427 3.661 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 408896038 GLOSXMRURPSXQS-YBEGLDIGSA-N 444.871 3.900 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 409240438 KSMOBFDQCXVHDS-XSFVSMFZSA-N 430.464 3.554 10 40 IHCB CCOc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 8820701 QILICEWFXFLSLM-LDADJPATSA-N 444.534 3.736 10 40 IHCB Cc1cc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c(C)n1-c1ccc2c(c1)OCO2 9958471 GRJXLPPPMYCXLY-UHFFFAOYSA-N 447.516 3.966 10 40 IHCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 16050833 VQSSEYFAQOQBTQ-QGZVFWFLSA-N 425.506 3.926 10 40 IHCB CCOc1cc(/C=C2/SC(Nc3ccc(OC)cc3)=NC2=O)ccc1OCC(=O)O 16916163 PIVPDINAXMWGIB-WOJGMQOQSA-N 428.466 3.640 10 40 IHCB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc(O)c(O)c2)n2c1nc1ccccc12 20675991 FNLKNVSNXBQQAZ-RTWAWAEBSA-N 437.496 3.753 10 40 IHCB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 223862534 RPCKECCTIGTEPL-OAHLLOKOSA-N 436.961 3.841 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 1183151 WJWBVNIJPMKGJW-GZTJUZNOSA-N 426.519 3.923 10 40 IHCB CCN(CC)c1ccc(/C=C2/C(=O)N=C(S)N(c3ccc(F)cc3)C2=O)c(OC)c1 1293588 HRNALRBSTOSKMV-PDGQHHTCSA-N 427.501 3.923 10 40 IHCB O=C(CSc1nnc(-c2cccc3ccccc23)o1)NC1=NN(c2ccccc2)C(=O)C1 8399975 WACIVOUGBXEMEU-UHFFFAOYSA-N 443.488 3.849 10 40 IHCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9138098 KTPOWKPZOAPECZ-DEOSSOPVSA-N 434.584 3.659 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)o2)cc1 9323774 VVYCUZQBXBBDRN-QGOAFFKASA-N 446.484 3.873 10 40 IHCB O=S(=O)(O)c1ccc2c(/N=N\c3ccc(F)cc3)c(O)c(S(=O)(=O)O)cc2c1 17302774 BSFZQINPSIDCHP-HNENSFHCSA-N 426.403 3.593 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Cl)c3O)C2=O)cc1 59426734 NTOPIRFRNDCESB-QPEQYQDCSA-N 435.661 3.783 10 40 IHCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409059594 SISUVSMWIBHJAM-STZFKDTASA-N 426.488 3.942 10 40 IHCB COc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9137997 VUJAKWYECSYVPG-RUZDIDTESA-N 437.584 3.800 10 40 IHCB O=c1c2ccccc2c(=O)c2c1ccc1nc3c(ccc4c(=O)c5ccccc5c(=O)c43)nc12 13465401 PZCFOTZMPYKBDU-UHFFFAOYSA-N 440.414 3.712 10 40 IHCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc1 36081867 UKKOCLCVSMHBQT-CPNJWEJPSA-N 448.406 3.929 10 40 IHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1 43443339 SOYVDBUUZKUJMU-TWMRLEJJSA-N 434.481 3.757 10 40 IHCB O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1c(-c2ccccn2)nc2ccccn12 79048906 JLJSLQPLPHSSNG-UHFFFAOYSA-N 437.862 3.947 10 40 IHCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 225415981 PGQLPEUTTMZNJF-UHFFFAOYSA-N 429.586 3.556 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(O)cc4)SC3=NC2=O)c(C)n1C[C@@H]1CCCO1 3859192 AVMWBRZDMDNCDT-UMFZHOMRSA-N 449.536 3.657 10 40 IHCB O=c1c(Cl)c(NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1-c1ccccc1 65476593 LLKUNHZCHMEGNR-UHFFFAOYSA-N 428.895 3.598 10 40 IHCB CCN1CCCc2cc(CN3CCc4c(nc([C@H]5CCCN5C(C)=O)nc4NC)C3)ccc21 247910364 DHXLOFURPSXLTA-XMMPIXPASA-N 448.615 3.533 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Br)cc2C)C1=O 9311343 RCQCJAOWFXIVPF-PTNGSMBKSA-N 429.270 3.823 10 40 IHCB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 8843894 WXIFIHGGCKQQJB-SFHVURJKSA-N 445.386 3.947 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 9206058 FVEXIIOHAMFISX-UHFFFAOYSA-N 441.535 3.588 10 40 IHCB COc1ccc(/C=C2\C(=O)N(c3ccccc3OC)C(=O)N=C2O)cc1Br 21670068 CQANXVSSXWQNHC-XFXZXTDPSA-N 431.242 3.973 10 40 IHCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1CCS(=O)(=O)O 2967486 CUKZYGAOTUDVNI-NTEUORMPSA-N 429.928 3.689 10 40 IHCB CCN(CC)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 11859249 WHMDNAXBUHFIIE-WAOWUJCRSA-N 435.446 3.637 10 40 IHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2F)N2CCc3ccccc32)cc1 16914986 YJAAFZZRYGEBID-HSZRJFAPSA-N 439.556 3.974 10 40 IHCB Cc1ccc(-n2nc(C)c(N/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)cc1C 408528991 GPSNIGQOQNCIEO-DEDYPNTBSA-N 443.507 3.993 10 40 IHCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCC(=O)O 408903501 YUZKQWHAGHEHGW-OVCLIPMQSA-N 445.269 3.727 10 40 IHCB CCN(CC)c1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1Br 409069967 YWXKCFNCKIUNCE-HGLKBHAMSA-N 441.347 3.893 10 40 IHCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)O 409192884 GPRWWBVOTHJPPO-QSARLWQPSA-N 449.246 3.512 10 40 IHCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c1 408902844 MBYPBYSOCHKIRF-XKZIYDEJSA-N 443.528 3.959 10 40 IHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1Cc1ccccc1 409214035 XBMSPZIKNHIQBO-LPYMAVHISA-N 446.482 3.824 10 40 IHCB O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 8870170 HGEUKCBLRWLCRO-NRHDHWSESA-N 432.567 3.595 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)O 9188367 TZFFBYCJYDHNBN-WQRHYEAKSA-N 444.534 3.630 10 40 IHCB CC(C)OCCCNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1C 10083787 ILOPPCGPAVHKOB-UHFFFAOYSA-N 426.380 3.873 10 40 IHCB COc1ccc(N2CCN(C[C@H](O)COCCC34CC5CC(CC(C5)C3)C4)CC2)cc1 20347344 PDVKXDWGAREKBA-YXPXJKJVSA-N 428.617 3.801 10 40 IHCB CCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 33654241 HJHKXSHNECMLOX-YGWSKSRPSA-N 444.487 3.619 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 226451143 MUKPFLNQXJJISD-NJYVYQBISA-N 441.414 3.521 10 40 IHCB COc1cc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)ccc1O 9188216 MZTYQEDPTSIBND-UNOMPAQXSA-N 429.929 3.847 10 40 IHCB C[C@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 13573641 XJGTUTNVJKYEDJ-WXTGTKJXSA-N 430.595 3.596 10 40 IHCB O=C1C[C@H](c2cccs2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96222733 KHWUNENUUPWPCU-SNVBAGLBSA-N 438.413 3.785 10 40 IHCB biogenic Cc1ccc(N2C(=O)N=C(O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1C 102502175 DQIWANJOEBMGTK-UYRXBGFRSA-N 445.479 3.520 10 40 IHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 13303245 GYDHLGWHEOWFJH-BHIFYINESA-N 443.499 3.818 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(OC)c1OC 14257290 RWGSHZCSHGGXNL-CXUHLZMHSA-N 431.491 3.816 10 40 IHCB CN1C(=O)/C(=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)SC1=S 83312763 JHMGKCINYLSMBC-UUASQNMZSA-N 445.434 3.553 10 40 IHCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2O)C1=O 408899411 PBKIZWYESHAWHA-JYRVWZFOSA-N 435.661 3.783 10 40 IHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(I)cc3)C2=O)cc1 408990225 WGPZUJVVXDMFQU-WJDWOHSUSA-N 446.244 3.520 10 40 IHCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O 409248760 QFOVWGDCHVERDO-CPNJWEJPSA-N 428.510 3.954 10 40 IHCB CCCCOC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cl 2738981 MIHFFMAPMYVVOQ-LGMDPLHJSA-N 441.871 3.876 10 40 IHCB COc1cccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1OC 13713924 WEXVYISECLIUJO-ZKMNFCBKSA-N 429.519 3.601 10 40 IHCB CC(C)c1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 22395343 RVXIWAAFKLEIRQ-UHFFFAOYSA-N 443.613 3.883 10 40 IHCB Cc1cc(=O)n2nc(CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)sc2n1 23237680 QMJOEBRKCFEJBF-INIZCTEOSA-N 439.566 3.794 10 40 IHCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(C(=O)O)cc1 408937810 PAGSEXZGKGMSSD-GHXNOFRVSA-N 438.745 3.723 10 40 IHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 409103828 ZDXWJNQMMUSOMO-LFMVTYOGSA-N 429.454 3.600 10 40 IHCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/[C@H]1C[C@@H]2CCCN3CCC[C@H](C1)[C@@H]23 1078434153 KRIDWNXDXQSPNE-DJWPHVQDSA-N 441.641 3.947 10 40 IHCB O=S(=O)(O)c1ccc2c(/N=N/c3ccc(F)cc3)c(O)c(S(=O)(=O)O)cc2c1 4803977 BSFZQINPSIDCHP-VHEBQXMUSA-N 426.403 3.593 10 40 IHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)nc1 9245171 QUDGJZBGZNRWDW-ODLFYWEKSA-N 434.496 3.768 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 9805755 IYDHZHGKPIUUAG-DEDYPNTBSA-N 435.480 3.587 10 40 IHCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 33589255 GCFIJMXILQJSCW-OVGFGYAMSA-N 439.002 3.695 10 40 IHCB O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 40845897 OPIIMPIUCVBLNP-UHFFFAOYSA-N 429.388 3.884 10 40 IHCB COc1ccc(N2CCN([C@@H](CNC(=O)OCc3ccccc3)c3cccnc3)CC2)cc1 56896173 PYMQVSZDRPEGEW-VWLOTQADSA-N 446.551 3.880 10 40 IHCB Cc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Br)cc1 409139498 NYCAPQLIOHLBEF-NVNXTCNLSA-N 435.299 3.978 10 40 IHCB Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1-c1ccc2c(c1)OCCO2 9125870 RRSLPRPOQYEIBJ-UHFFFAOYSA-N 432.398 3.929 10 40 IHCB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 13575686 SWSFZLVFJKSMFE-FDIDITGRSA-N 446.981 3.994 10 40 IHCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1 41078443 JNGRLAAWWPKFHX-JKGLIZDUSA-N 447.447 3.763 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1F 2232216 JXCZLRQJSGHPCP-UHFFFAOYSA-N 432.835 3.501 10 40 IHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 2337341 VXSXYAUQUSNESD-NTUHNPAUSA-N 428.217 3.736 10 40 IHCB CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 8820206 OGIIQXCZSQJEOQ-VKAVYKQESA-N 441.018 3.942 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc2nonc12 9353111 YDZBDTMNUUMEPM-GDNBJRDFSA-N 428.470 3.592 10 40 IHCB Cc1cc(CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O)c(C)n1-c1ccc2c(c1)OCO2 13991896 NDMKQFWKGWBWSS-KRWDZBQOSA-N 436.508 3.935 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC 35377372 SQBFMXGCNDZCSG-WQLSENKSSA-N 437.677 3.581 10 40 IHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1C 41078513 SSWDXSWVXHETEL-ZEZPAJMMSA-N 433.464 3.912 10 40 IHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409241697 SZVQGUZVTXYMHY-SFQUDFHCSA-N 449.850 3.804 10 40 IHCB CN1C(=O)C(=Cc2c(OCc3cnc(Cl)s3)ccc3ccccc23)C(=O)N(C)C1=O 1399108 YFGYNPKWBYVYSW-UHFFFAOYSA-N 441.896 3.963 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2nccnc2c1 9420735 LBIZIPWRQVAYET-LFIBNONCSA-N 426.548 3.921 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224521006 HAUCCISXSJNISW-IBGZPJMESA-N 431.602 3.621 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 408901079 ZXIMLRKEAWESSN-UHFFFAOYSA-N 444.940 3.849 10 40 IHCB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O 409095147 GYCQPNOILMNDLI-IQGJIOQQSA-N 440.521 3.712 10 40 IHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O 409246857 FJEBXNZBCCFETL-HYARGMPZSA-N 443.507 3.583 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1c1cccc(F)c1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 169682885 ROOZMGFMZVXKTF-NJYVYQBISA-N 441.414 3.521 10 40 IHCB COc1cc(Br)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC 409142781 BFWUVLWMBLWOMF-SXGWCWSVSA-N 447.310 3.867 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 409195322 HOGFFYAEXLFJHK-PYJSORCASA-N 443.956 3.769 10 40 IHCB CCOc1ccc(/C=C2/SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 9282605 UEWJAGZTHJYEFY-HMMYKYKNSA-N 438.509 3.786 10 40 IHCB O=C(CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)NCCc1ccc(O)c(O)c1 13572214 JBKMKMMTFTZKKJ-PDGQHHTCSA-N 446.912 3.537 10 40 IHCB CCCC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(OC)c1O 101549847 LVVCJJQEKBFDIF-MHWRWJLKSA-N 425.397 3.594 10 40 IHCB COc1ccc(N2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)c([N+](=O)[O-])c1 108243111 JTXCXRYMAPTYFW-UHFFFAOYSA-N 433.892 3.601 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)N1CCCC1 408577899 VOAUXZOVVQOMNY-PDGQHHTCSA-N 434.583 3.696 10 40 IHCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)C(=O)N(c2ccccc2)C1=O 409008736 DFQITIVVFBCVOC-JCMHNJIXSA-N 444.491 3.514 10 40 IHCB COC(=O)CCCCCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 4283986 OFOVPJDTOVFGRV-VBKFSLOCSA-N 439.555 3.647 10 40 IHCB COc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc(OC)c1OC 8834382 VMLIJKYJAFQYPR-HKWRFOASSA-N 439.537 3.505 10 40 IHCB COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc(OC)c1OC 27549222 ATFTVHATNQGALD-POCCGPMPSA-N 436.493 3.688 10 40 IHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 222725410 BERKBRNSQJOYHU-DNQXCXABSA-N 447.608 3.928 10 40 IHCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)o2)c1C 408911355 NBPIAGGGAWKHTH-XDHOZWIPSA-N 448.406 3.847 10 40 IHCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 409215225 YYWFLUPQHKWJRZ-KGENOOAVSA-N 443.415 3.840 10 40 IHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 409221482 QWUFKYGJQZXJNP-UDWIEESQSA-N 440.434 3.890 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1C 9908231 FPAJYFYKKMAJIF-DEDYPNTBSA-N 445.500 3.624 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OCCN(C)C)C2=O)cc1 11565504 NACUGZOIEZJPIY-SDXDJHTJSA-N 436.599 3.562 10 40 IHCB O=C(CSCc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 13672124 AMPVTMRCPQOJAV-UHFFFAOYSA-N 435.387 3.835 10 40 IHCB CCN(CC)c1ccc(CN(C)C(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1 23446210 VCDADVXCGGEGEU-UHFFFAOYSA-N 426.586 3.970 10 40 IHCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCc2cccnc2)cc1 112291657 SRDWEDIGYHCTRG-JWGURIENSA-N 443.463 3.813 10 40 IHCB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223618299 ACOSYRWPOSSWIU-DHIUTWEWSA-N 436.581 3.853 10 40 IHCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 225181298 SSJXGORWFKXLCQ-NRFANRHFSA-N 435.565 3.533 10 40 IHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(F)c(F)c1F 9703745 RFQJRXCIXYSFRS-UHFFFAOYSA-N 439.345 3.675 10 40 IHCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)c2C)cc1C 408757411 MYKMHLZDEMGCEA-HZHRSRAPSA-N 442.519 3.810 10 40 IHCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O 408834796 LZRCHHOLPXVKEF-GXDHUFHOSA-N 444.871 3.812 10 40 IHCB COC(=O)c1cc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc(C(=O)OC)c1 8583990 JFBJZHHHQVEDQA-UHFFFAOYSA-N 429.428 3.646 10 40 IHCB O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9233949 NYQYHOVWNIBDRT-CPNJWEJPSA-N 425.466 3.668 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCc1ccc(O)cc1 13575246 LYKLUZCSSNCZCD-BOPFTXTBSA-N 432.954 3.606 10 40 IHCB CCOc1cc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc(OCC)c1OCC 20529066 RBNZTWNUJLOWAI-UHFFFAOYSA-N 444.528 3.980 10 40 IHCB CC/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100432893 PEEXQWUFSWCKPL-QINSGFPZSA-N 434.447 3.781 10 40 IHCB CN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S 409147498 WWVPIAKUKXZQBF-PDGQHHTCSA-N 439.924 3.630 10 40 IHCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409344840 HOHDSMQXUSUXKC-LICLKQGHSA-N 444.490 3.943 10 40 IHCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)cc1 71939408 FRZATDRYFCBMDZ-UHFFFAOYSA-N 425.510 3.592 10 40 IHCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 100769195 QTJOPFDQBFLEIX-XQNSMLJCSA-N 446.551 3.531 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 223176673 GOWHIGDPNKFLBJ-UHFFFAOYSA-N 439.581 3.768 10 40 IHCB O=C(OCC(=O)N1CCc2ccccc21)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 9403427 HJKBRDTXEKNFBW-UHFFFAOYSA-N 445.858 3.862 10 40 IHCB Cc1nc2cc([C@@H]3CCCN3Cc3ccccc3O)nn2c(C)c1CCC(=O)NC1CC1 257279004 OENYVGVJYQODIH-QFIPXVFZSA-N 433.556 3.600 10 40 IHCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 409128465 OWQVSXQYAKDQQI-XDHOZWIPSA-N 428.510 3.872 10 40 IHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 1406565 INTHAYQKTAXHBW-UHFFFAOYSA-N 425.268 3.626 10 40 IHCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 4330754 KKDJQDCZGGYZTI-NRFANRHFSA-N 428.964 3.606 10 40 IHCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 13714612 UJPSHWNCGRXGTH-WJDWOHSUSA-N 428.583 3.906 10 40 IHCB CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 13749597 IOWVOEOTHGAIDJ-SSZFMOIBSA-N 430.599 3.850 10 40 IHCB COc1cccc(/C=C2\SC(N)=NC2=O)c1OCC(=O)Nc1cccc2ccccc12 16779080 IHYFKTVWONDYEK-UNOMPAQXSA-N 433.489 3.795 10 40 IHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 100157721 NJVBRKXLHFSWML-MOSHPQCFSA-N 436.493 3.957 10 40 IHCB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 1153837 HTOTXBBBBYRODJ-MHWRWJLKSA-N 426.791 3.639 10 40 IHCB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)N(c3ccccc3)O[C@H]2C1=O 102711260 UUBLHKKQSQBZJU-RBZQAINGSA-N 443.503 3.812 10 40 IHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 408803831 AWADBVLXDZRLAP-OVCLIPMQSA-N 429.816 3.702 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1C 408954252 SDODXAASVLAZSA-PXLXIMEGSA-N 428.492 3.827 10 40 IHCB CCCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 8870173 GURDSRCENGNFMG-IUBUSRKXSA-N 432.567 3.594 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 9311807 NTJAFEFKGBVVJS-FYJGNVAPSA-N 447.466 3.904 10 40 IHCB Cc1cc(C(=O)CN2CCC[C@H]2c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 57903287 PCHGUAAORRZIEH-FQEVSTJZSA-N 443.594 3.823 10 40 IHCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 59138929 DIPLZKHRLWHACD-CPNJWEJPSA-N 430.416 3.962 10 40 IHCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc4c(s3)CCCCC4)CC2)cc1 3555634 FCVCWJDRQNKDNK-UHFFFAOYSA-N 428.554 3.531 10 40 IHCB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 8685196 JSSAMZSLPDYSDC-SCLBCKFNSA-N 439.895 3.967 10 40 IHCB aggregator Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)c1 9260370 LBDZWEMCIMQNCI-MOSHPQCFSA-N 430.533 3.937 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCCC3)ccc21 16838218 SQQVOMVNGFTAFC-GOSISDBHSA-N 432.362 3.991 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(OCc2cscn2)cc1 21978272 LJUQDWVQDFKEPW-UHFFFAOYSA-N 439.537 3.604 10 40 IHCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 33585594 ASGLHICMEVUOSI-RQZCQDPDSA-N 445.566 3.929 10 40 IHCB COc1ccc(C)cc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 35224255 NYFCGFNRMVSUPP-UHFFFAOYSA-N 429.428 3.575 10 40 IHCB CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 96193362 WNWFIRCBKQYICJ-XSFVSMFZSA-N 435.505 3.692 10 40 IHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br 408815427 QFUOMLYNAICOKL-RVDMUPIBSA-N 429.270 3.904 10 40 IHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)c1 409192932 GEJQSXBQNGOKHC-UZUMKDMXSA-N 431.448 3.570 10 40 IHCB CCOC(=O)c1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc2c1CC[C@H](C)C2 938427 PLCSJGVUVKLDSV-BLLLJJGKSA-N 427.526 3.811 10 40 IHCB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1ccc(O)c(O)c1 13071974 OSCNHIAEDLGFLF-CQSZACIVSA-N 446.912 3.615 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1cccc(F)c1 108243801 FAWAYCFPVGODGP-UYRXBGFRSA-N 433.395 3.774 10 40 IHCB CCOc1cc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)ccc1O 9187961 CQXUSWATXYRLMA-ZHZULCJRSA-N 427.501 3.723 10 40 IHCB O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(Cl)cc1 13546754 BQJOJCMPXWVEDD-LDADJPATSA-N 442.878 3.611 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OS(C)(=O)=O 15945512 LQVHICUMZCFQRZ-YBEGLDIGSA-N 439.511 3.579 10 40 IHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1 19637172 BKKWQROGEXABNG-MOSHPQCFSA-N 442.859 3.578 10 40 IHCB CCOc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cccc1OC 34889977 LUHGSJGCBWHJEZ-SFQUDFHCSA-N 444.534 3.649 10 40 IHCB COC(=O)C[C@@H](c1cccnc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221962 AJDXOMLYBNYLHQ-HNNXBMFYSA-N 433.416 3.667 10 40 IHCB biogenic COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 100233051 TUHHITOPFXGDKZ-MHWRWJLKSA-N 429.270 3.807 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccccc2)c1 408804415 FSELDOXZLIHKAW-FYJGNVAPSA-N 444.443 3.646 10 40 IHCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC 408818617 XRUWIVFEUDIQHP-MHWRWJLKSA-N 444.871 3.812 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(O)c(C(=O)O)c1 9046215 QIZMGBFVRKEASX-CHHVJCJISA-N 448.909 3.584 10 40 IHCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1 10188422 ADDVKOZWVFZJNE-VWLOTQADSA-N 442.563 3.920 10 40 IHCB O=C(Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 108898188 DFAFLAXOWGOXCR-JCMHNJIXSA-N 436.471 3.741 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408802863 ILLNYSMILUUVHC-RIYZIHGNSA-N 435.661 3.778 10 40 IHCB CCOc1cc(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408865122 BQXACZJQAIZNHB-YBEGLDIGSA-N 431.311 3.679 10 40 IHCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(F)cc1 1082554 RZNGVESDPODIKT-RQZCQDPDSA-N 433.482 3.699 10 40 IHCB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 1824037 KIWUTFKIXBQBPI-YVLHZVERSA-N 438.490 3.633 10 40 IHCB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 6144442 NQUPGJZOCGMEGD-SGNDLWITSA-N 443.503 3.812 10 40 IHCB CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N(c2ccccc2)C1=S 8436845 KUHWIJWNDMQLHV-QGOAFFKASA-N 432.457 3.818 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c(C)c1 8451838 WHHMVTQEKOVZHO-CPNJWEJPSA-N 445.500 3.624 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 9189394 NHTDLTYJELWKJZ-YVLHZVERSA-N 431.491 3.573 10 40 IHCB COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220997 SPVFCMLMVCFANP-INIZCTEOSA-N 448.427 3.977 10 40 IHCB biogenic O=C1/C(=C2\SC(=S)N(c3ccc(O)cc3)C2=O)SC(=S)N1c1ccc(O)cc1 8870051 HJMBAEGQEJBHAM-BUHFOSPRSA-N 446.556 3.739 10 40 IHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 35861218 UMAMRECRQJXFCC-NONVJHHQSA-N 435.542 3.791 10 40 IHCB COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220999 SPVFCMLMVCFANP-MRXNPFEDSA-N 448.427 3.977 10 40 IHCB biogenic COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)o1 107642140 ORQKDPDWLQIRJK-ODLFYWEKSA-N 437.427 3.706 10 40 IHCB Cc1ccc(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1C 13671249 RROLVBUUEJYCFX-UHFFFAOYSA-N 443.613 3.766 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1c1cccc(F)c1)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101169716 ROOZMGFMZVXKTF-NJDAHSKKSA-N 441.414 3.521 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)C1 260841122 JLTMZLFREYTORH-PMACEKPBSA-N 443.613 3.562 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OCCC)C2=O)cc1 408897185 HZMRWJKGFVLBJS-ZHZULCJRSA-N 438.480 3.939 10 40 IHCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1 408959999 BQRMJZWNUUUNHJ-WOJGMQOQSA-N 434.379 3.759 10 40 IHCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 409239343 PMEZQRHWDCJMNZ-OQLLNIDSSA-N 436.411 3.554 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c2C)cc1C 3379126 AGCMOPGJYSRVBJ-UHFFFAOYSA-N 438.484 3.859 10 40 IHCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(N4CCOCC4)C3=O)o2)cc1 8819009 ZNCYRNGLUYSIIQ-QGOAFFKASA-N 444.534 3.572 10 40 IHCB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13008047 UDGZIUJNDDJEML-DEOSSOPVSA-N 434.584 3.523 10 40 IHCB CCOc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc(OCC)c1OCC 17307026 RVSKLYLCALFWFE-OAQYLSRUSA-N 443.588 3.981 10 40 IHCB O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 18180064 TYOWENJNRJXUCB-ACRUOGEOSA-N 441.414 3.521 10 40 IHCB CN(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 20121642 IHNHRTDFXSVZMZ-DEOSSOPVSA-N 437.636 3.894 10 40 IHCB C=CCOc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 34837968 FQJWJHBOIZWACJ-WJDWOHSUSA-N 443.297 3.874 10 40 IHCB COc1cc(Br)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 409078558 IQMWQWYLGBZESY-LYGDGENHSA-N 444.372 3.847 10 40 IHCB CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(NN=C(c3cccc4ccccc34)S2)C1=O 670421197 PYIFUHQBCKRQBP-DEOSSOPVSA-N 447.516 3.710 10 40 IHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)c(F)c2)C1=O)N1CCCCC1 33751196 KKTUVPFAVDWZLQ-RGEXLXHISA-N 431.533 3.865 10 40 IHCB CC1=NC(=S)N(NC(=S)Nc2ccccc2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1 68602390 DMDXKVWVNFTMHX-UCMDFWOYSA-N 441.498 3.537 10 40 IHCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/NCc2ccccc2)SC1=S 256055347 CQCOILIMNVAZMY-UFSZVFTQSA-N 426.563 3.652 10 40 IHCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3ccc(OC)cc32)S1 6077075 GVCNHKFSOMVXJU-UHFFFAOYSA-N 437.564 3.975 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NCCc3ccccc3)C2=O)cc1 8819118 OTSWCZGDNDZQJZ-RGEXLXHISA-N 426.563 3.645 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1C(=O)O 13575818 QAWMLOXTYFEGIH-GZTJUZNOSA-N 442.518 3.711 10 40 IHCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 19995781 QTJOPFDQBFLEIX-KQWNVCNZSA-N 446.551 3.531 10 40 IHCB COc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c1O 58418108 WWNZAXOYIUIUMR-UHFFFAOYSA-N 440.521 3.748 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC 408815581 RUUMDLUSWMWGKQ-KPKJPENVSA-N 435.263 3.985 10 40 IHCB O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)c1 9369192 DMVUKXLAFPYJHE-GOSISDBHSA-N 435.323 3.528 10 40 IHCB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 9424960 ROZVWSNGFMGCPU-NTCRLEKGSA-N 433.493 3.578 10 40 IHCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC3CCC(c4ccccc4)CC3)cc2)C1 58245370 SJGMVAMDQDSTNA-KOENEWCDSA-N 434.584 3.914 10 40 IHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1Cc1cccc(F)c1 408877811 XBXVLBMEBARMGB-FYJGNVAPSA-N 445.406 3.991 10 40 IHCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 408938633 LHSRIZKNDGXRKH-XSFVSMFZSA-N 442.427 3.630 10 40 IHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)s1 408965497 HZYXKPJSBOZNGP-YRNVUSSQSA-N 427.732 3.995 10 40 IHCB Cc1ccc(Nc2cc(N3CCN(C)CC3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 13592320 NXCCXYYWOMZNQP-UHFFFAOYSA-N 426.520 3.848 10 40 IHCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 409254985 XIPLFZOIOFCISG-QGOAFFKASA-N 446.484 3.873 10 40 IHCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1 2448840 YIWRFUMVIGXLOU-YAJBTMAUSA-N 429.519 3.601 10 40 IHCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OC)cc4OC)S3)CC2)cc1 9188191 UCKOEDYNDDTKAA-STZFKDTASA-N 439.537 3.505 10 40 IHCB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 9461892 RRXKMEXWOGBRAV-PXNMLYILSA-N 430.599 3.928 10 40 IHCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 27530383 GSJZTTXJKPJHSM-JXCQQFQQSA-N 425.528 3.557 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OC)C(=O)NC2=S)cc1 108218382 NKYYTSZTTMWPIC-LFIBNONCSA-N 445.338 3.851 10 40 IHCB O=C(O)c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3[C@H]3C=CC[C@@H]32)c1 12428654 GQICLGHDBAZQOY-WFXMLNOXSA-N 448.504 3.802 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14414329 STJXQYOUIDVSJE-CYVLTUHYSA-N 437.492 3.628 10 40 IHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1Cc1ccccc1Br 408870995 WPSCLMRXRFFUNW-UHFFFAOYSA-N 435.730 3.608 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 9265357 CEVJXXJRLXGMKP-MOSHPQCFSA-N 443.459 3.767 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)NC1=S 409174030 QCFSXADOJUGMSP-GHRIWEEISA-N 439.512 3.656 10 40 IHCB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O 409354386 DOQBBYBGQXKAHF-GDNBJRDFSA-N 441.347 3.895 10 40 IHCB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(N(CC)CC)cc2)N3)C1 4091830 DJKOZFLTIQYWSP-IBGZPJMESA-N 428.558 3.963 10 40 IHCB COc1cccc(CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1OC 13038097 AQMXAGIWDYOXDL-UHFFFAOYSA-N 444.487 3.550 10 40 IHCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1 13787813 YIWRFUMVIGXLOU-UWCCDQBKSA-N 429.519 3.601 10 40 IHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 113833505 TVOVFNXETJKNEN-CPNJWEJPSA-N 445.431 3.644 10 40 IHCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O 409096817 FCHRHDUXPZHWDP-ZHZULCJRSA-N 437.521 3.507 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c(OCC)c1 408944608 MZZBPCZCQXINBW-HMMYKYKNSA-N 445.475 3.941 10 40 IHCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NC1CC1 409135838 WDVVNOIESTUPJX-GRSHGNNSSA-N 437.546 3.914 10 40 IHCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 409217787 WOPPJSZJULHRGL-XQNSMLJCSA-N 441.487 3.998 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1O 14132687 MQUZEBCZJNBRPZ-MDWZMJQESA-N 445.269 3.528 10 40 IHCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CCOC)C3=O)c2C)c1 409141820 WWCXSIJMGNEIME-CPNJWEJPSA-N 428.510 3.954 10 40 IHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)c1 409223232 DTBRSAGBURIWEC-CPNJWEJPSA-N 446.488 3.834 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=O)NC2=S)c(OC)c1 9263189 GFAYHUIHGUFJGD-ATVHPVEESA-N 434.473 3.795 10 40 IHCB COc1ccc(N2CCN([C@H](c3cccc(F)c3)c3sc4ncnn4c3O)CC2)cc1 22609612 MRSDAVVGRSEULY-LJQANCHMSA-N 439.516 3.556 10 40 IHCB O=C1/C(=C/NCCNc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1ccccc1 104207449 XAKKMFWDBQPKFD-LVZFUZTISA-N 427.464 3.931 10 40 IHCB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCc1ccc(N2CCOCC2)cc1 219467821 QMIOKYOQHDJSDK-UHFFFAOYSA-N 429.520 3.733 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 224495720 MOXZAOORJKYUBI-UHFFFAOYSA-N 443.594 3.911 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@H]1CCCO1 409197281 AMHOPJQJJDVHJJ-HDAJJNEKSA-N 427.888 3.604 10 40 IHCB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OC)c(Cl)c1)CO3 9411023 MKPDHHZAWKAZCJ-UHFFFAOYSA-N 429.856 3.835 10 40 IHCB CCN(CC)c1ccc(CN(C)C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 12537059 KGWMXXQNPKGRIS-UHFFFAOYSA-N 426.517 3.550 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1F 33334165 UHHVSPAKYQQAPS-UNOMPAQXSA-N 448.450 3.883 10 40 IHCB CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 219082484 LWKBCWIBWGUSSE-QFIPXVFZSA-N 429.586 3.538 10 40 IHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 223695148 BJUPHPHUSGCCLI-VXKWHMMOSA-N 449.580 3.728 10 40 IHCB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260577877 NYVLPQAZSLBFKX-PMACEKPBSA-N 443.613 3.729 10 40 IHCB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1ncc(-c2ccccc2)n1C 8719221 NLQQCSOPHYWHFN-UHFFFAOYSA-N 428.945 3.930 10 40 IHCB CCOC(=O)c1ccccc1NC(=O)C[C@H]1SC(=S)N(Cc2ccccc2)C1=O 9024646 AGWWTYBVOFMRRY-QGZVFWFLSA-N 428.535 3.621 10 40 IHCB COc1ccc(N2CCN(CCCNC(=O)c3cc4ccccc4cc3OC)CC2)cc1 9919428 ZFVAQYWCSFMSBZ-UHFFFAOYSA-N 433.552 3.799 10 40 IHCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1 33668581 WTUKLKXITMLWSG-XSFVSMFZSA-N 445.431 3.644 10 40 IHCB CCN(CC)c1ccc(CN2CCc3c(O)nc(N4CCC(C)CC4)nc3C2)c(O)c1 72347188 DOOIACHGJBGUST-UHFFFAOYSA-N 425.577 3.529 10 40 IHCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 205707912 GIMWPDVFPIDQLA-RQZCQDPDSA-N 429.450 3.941 10 40 IHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(O)cc1 223269387 YZQPFCBHLUQXDZ-DHIUTWEWSA-N 435.597 3.729 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C)c(C(=O)O)c4)o3)C2=O)cc1 408846118 OWRGXAITAXNWIJ-XDHOZWIPSA-N 446.415 3.628 10 40 IHCB COc1ccc(N2CCN(C(=O)COC(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)cc1 23076667 PRYNSHOEIAHEDR-NYYWCZLTSA-N 448.441 3.619 10 40 IHCB O=C1N[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Nc2ccccc21 59488536 TYSNRXXDCBCLNV-XMMPIXPASA-N 443.507 3.771 10 40 IHCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 100542133 TYOWENJNRJXUCB-QHAWAJNXSA-N 441.414 3.521 10 40 IHCB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138381 JZQLVVUTLAKJMC-VWLOTQADSA-N 448.611 3.913 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 9849847 DXCSVFJLCZBPEU-QZQOTICOSA-N 429.863 3.718 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 12032454 HGNIKGJJEABMHJ-LICLKQGHSA-N 442.518 3.629 10 40 IHCB Cc1nc([C@@H]2CCCN(Cc3ccc(N4CCCCC4)cc3F)C2)ncc1C(=O)N(C)C 19763652 KTIQHBQPONKLDN-HXUWFJFHSA-N 439.579 3.996 10 40 IHCB O=C1/C(=C\c2ccco2)SC(=S)N1C(=O)c1ccccc1I 408719771 RHPPQGHEHMIFIX-XYOKQWHBSA-N 441.271 3.926 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 408815264 UTXBMWYBEGNZIM-RVDMUPIBSA-N 432.274 3.555 10 40 IHCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 409349424 QXFCBPUEDWGEAG-XSFVSMFZSA-N 427.570 3.890 10 40 IHCB CCOc1cc(/C=C2\SC(N3CCN(c4ccc(OC)cc4)CC3)=NC2=O)ccc1O 9188211 BCENGBBWHHNRAM-QNGOZBTKSA-N 439.537 3.592 10 40 IHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCc1ccc(Cl)cc1 13149059 ZLIKRIFDKYVRPM-UHFFFAOYSA-N 433.847 3.589 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)CC1 260760985 DDTKNOFOBALNFZ-XXBNENTESA-N 443.613 3.733 10 40 IHCB Cc1cc(C)cc(Cc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1 408870525 WGXRKNXMRWZVIH-UHFFFAOYSA-N 429.339 3.571 10 40 IHCB CCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 17995331 SPBHEXMNDBGNAL-LAHQVWKISA-N 442.610 3.706 10 40 IHCB COc1ccccc1-n1c(C)cc(CN(CCN2CCOCC2)Cc2cccnc2)c1C 19567588 FMVZRYGNPCBPQS-UHFFFAOYSA-N 434.584 3.832 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 27530596 CYGHEIQIQMKXMT-WOJGMQOQSA-N 428.535 3.852 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 41085200 UGKNBQNZELQLQN-FIUAZEGQSA-N 436.516 3.906 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)CC1 225423117 BQHPKTPDBDQLCD-SFHVURJKSA-N 429.586 3.664 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1C 409002310 SXOUYYMQWUVQDZ-FYJGNVAPSA-N 443.507 3.744 10 40 IHCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)c1 409250655 RNYRVCMFRNVDBT-LPYMAVHISA-N 428.492 3.594 10 40 IHCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 6798471 CYDWJUMFJYHHHA-ATVHPVEESA-N 433.445 3.995 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccccc1[N+](=O)[O-] 27530573 LUBXZTODEZABAE-LFIBNONCSA-N 431.470 3.964 10 40 IHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 109024214 QNXZVYQFWCCYPX-MOSHPQCFSA-N 436.487 3.574 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2cccn3nccc23)C1 257324342 WOFQRSVEMJKINP-FQEVSTJZSA-N 448.567 3.665 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1O 409352763 ZDQPNHVFCXVFNF-APSNUPSMSA-N 446.462 3.834 10 40 IHCB CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)Cc1ccc(N2CCCCC2)cc1 14095411 ZSAYJGXPBAQMHL-UHFFFAOYSA-N 434.628 3.890 10 40 IHCB CCC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 15277551 HJHKXSHNECMLOX-BOCITWAFSA-N 444.487 3.619 10 40 IHCB Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)c1 100524524 XFERLAHJCNXKPM-FSSWDIPSSA-N 443.499 3.818 10 40 IHCB C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218335916 GNVDLYQSKDTHIG-MSOLQXFVSA-N 429.586 3.810 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409250048 MEGDBGILBOWHAZ-SSZFMOIBSA-N 447.403 3.920 10 40 IHCB Cc1ccc2occ(CC(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 8611976 WHCIHENAIFZMKY-NRFANRHFSA-N 440.565 3.566 10 40 IHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 9348605 FLKDPUOGWPHJAL-WJDWOHSUSA-N 448.366 3.588 10 40 IHCB COc1ccc(N2CCN([C@H](c3cccs3)c3sc4nc(C)nn4c3O)CC2)cc1 23158282 UKTMRQCVEJWYLJ-GOSISDBHSA-N 441.582 3.787 10 40 IHCB COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223618352 ACOSYRWPOSSWIU-PKTZIBPZSA-N 436.581 3.853 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C)c(C)c2)C(=O)NC1=S 409173761 RMHIFENMVXCRDO-XMHGGMMESA-N 431.517 3.934 10 40 IHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OC)c3)C2=O)cc1OCC 409192848 FZAOAZWVOZVONC-UYRXBGFRSA-N 438.480 3.545 10 40 IHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 9424190 VXSXYAUQUSNESD-QPEQYQDCSA-N 428.217 3.736 10 40 IHCB CN(C)c1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9424282 QRSFYZPLTZWYDN-SQEWALACSA-N 432.973 3.635 10 40 IHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 9846170 WUESEWPZBFOPKB-XKZIYDEJSA-N 444.491 3.640 10 40 IHCB CN(C)c1ccc([C@H](CNC(=O)c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914659 ZBAMNZNNHROWAM-QHCPKHFHSA-N 436.531 3.778 10 40 IHCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(N(C)C)o3)C2=O)cc1 59104579 MTSVPLNOWITWPC-MDWZMJQESA-N 434.246 3.623 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3[C@H](C(C)=O)N21 13569531 LYWNPVXGAPZUCK-CZYKHXBRSA-N 436.895 3.636 10 40 IHCB CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1[N+](=O)[O-] 34799132 QGCMVXKDRUGZQL-CXUHLZMHSA-N 429.479 3.765 10 40 IHCB CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38170611 ONGGHPPYMVCSJM-MLPAPPSSSA-N 431.788 3.859 10 40 IHCB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 225513751 JDEHTYUKYZBTJT-ULJHMMPZSA-N 445.519 3.512 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)ccc1OC(C)C 32099496 VIBSRYGUOQNRRX-SXGWCWSVSA-N 431.286 3.706 10 40 IHCB COc1ccc2nc(/C=C3\SC(=S)N([C@H](CCSC)C(=O)O)C3=O)ccc2c1 54360848 CTPGXBJABVXWLA-CCAPLTMGSA-N 434.564 3.651 10 40 IHCB Cc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(C)c1 96936845 PUEVAAPNWLSJEN-ODLFYWEKSA-N 440.546 3.663 10 40 IHCB O=C(c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1)N1CCCCC1 225422059 OXQQPKBTJFCXNL-UHFFFAOYSA-N 438.597 3.636 10 40 IHCB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(Cl)cc3Cl)nnc2n1 12412122 BFOUSWJLVBCGQS-UHFFFAOYSA-N 426.333 3.665 10 40 IHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccn1 223215944 HEJXPIUCXXKROS-DHIUTWEWSA-N 434.613 3.808 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)o2)cc1 408910227 JTCSNGORBLPOMY-LDADJPATSA-N 434.379 3.539 10 40 IHCB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 8799083 HHCUPPSOKJSMIL-QFIPXVFZSA-N 443.613 3.501 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(O)cc4)SC3=NC2=O)c(C)n1C[C@H]1CCCO1 9267054 AVMWBRZDMDNCDT-NZFGJBMBSA-N 449.536 3.657 10 40 IHCB CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CCCCC3)ccc21 13007754 LXUAZDHUHFKTON-SFHVURJKSA-N 432.362 3.991 10 40 IHCB COc1ccc(CC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC 13007788 URXPAMNUUCTGQW-HSZRJFAPSA-N 437.584 3.582 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1cccc2ccccc12 59426473 QCHJIUQFXGNZQO-UHFFFAOYSA-N 430.460 3.861 10 40 IHCB O=C1C[C@@H](c2ccc(O)cc2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96114888 YFCGIFCOYFWNDZ-AWEZNQCLSA-N 432.384 3.723 10 40 IHCB biogenic CC(C)[C@@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2cccs2)SC1=S 9348274 ZAYGZKPTQRIXQK-RQFZTJQSSA-N 438.640 3.737 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3sc4ncnn4c3O)CC2)cc1 22609750 POLUYTDERRYASW-LJQANCHMSA-N 439.516 3.556 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OC 33688275 RHQANCDMDCJOPX-LDADJPATSA-N 444.534 3.649 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101484846 HBEGEVRYDQYKLS-NJDAHSKKSA-N 441.414 3.521 10 40 IHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NC12CC3CC(CC(C3)C1)C2 408550744 JNENFTWEXKAMHK-GDNBJRDFSA-N 433.936 3.669 10 40 IHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1OC 409128520 FHUFVZDXGKCWMO-OQLLNIDSSA-N 444.871 3.505 10 40 IHCB CCN1C(=O)NC(=O)/C(=C\c2cn(CCCOc3ccccc3OC)c3ccccc23)C1=O 2314297 IMYDDTZYWMFWIV-XDJHFCHBSA-N 447.491 3.601 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1 8898312 PYTDLJSDTDRRML-RUZDIDTESA-N 447.466 3.646 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 22335325 XDUXXCONYUEREH-SFHVURJKSA-N 447.576 3.705 10 40 IHCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC(C)C)C2=O)cc1 408800417 PCOPHDWSJFPGPB-GZTJUZNOSA-N 442.855 3.580 10 40 IHCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408800974 QPWAELFARXUWTR-LFIBNONCSA-N 445.269 3.523 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1O 409090163 LTSUJWGLLDEKQJ-URXIRXLPSA-N 444.372 3.934 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C)c2C)C(=O)NC1=S 409168691 RMZBTKWGLODRQD-NBVRZTHBSA-N 431.517 3.934 10 40 IHCB Cc1cc(-c2csc(NC(=O)C3=NN(C)C(=O)CC3)n2)c(C)n1-c1ccc(F)cc1 9658915 LSWQCCSAMPRKNB-UHFFFAOYSA-N 425.489 3.903 10 40 IHCB COC(=O)c1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 35040271 MISOFQRKQIGPKY-CPNJWEJPSA-N 443.546 3.934 10 40 IHCB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 58060926 GQYBIYJEHBRZMK-GBXCKJPGSA-N 437.584 3.854 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 224683664 QHPOXDPUTMOXHE-UHFFFAOYSA-N 437.993 3.577 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408802058 CLTMWQWENAFGKN-KGENOOAVSA-N 443.415 3.840 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(OC)c1OC 1452329 RWGSHZCSHGGXNL-SXGWCWSVSA-N 431.491 3.816 10 40 IHCB CCOC(=O)[C@H](C(=O)c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1O 4642502 CODIZTLUWWWEQP-NRFANRHFSA-N 439.489 3.723 10 40 IHCB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1Br)Nc1ccccc1 107664176 CENYQJZXUOUMHC-DHDCSXOGSA-N 449.351 3.955 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 218335673 UPVIRNBQYYEBRV-GOSISDBHSA-N 429.586 3.810 10 40 IHCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223275634 KGILIBPZUSOXDG-YADHBBJMSA-N 434.613 3.727 10 40 IHCB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)c1 224487547 ZETHQGPDRSYOHQ-UHFFFAOYSA-N 437.565 3.816 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C2=O)cc1 408776337 YTZPKQYAQGGPBP-FYJGNVAPSA-N 443.459 3.767 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 2378815 OHDYUYUHJDFJKN-FYJGNVAPSA-N 433.439 3.908 10 40 IHCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)c2)cc1 8821302 NQDIOVSTZDZFEU-PDGQHHTCSA-N 449.575 3.663 10 40 IHCB O=C1N=C(O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(=O)N1c1ccccc1Cl 8995866 SRMQPPJTSNXABZ-LCJXNMAOSA-N 425.876 3.774 10 40 IHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408954394 SVJGUPQUAXATHO-CPNJWEJPSA-N 437.908 3.971 10 40 IHCB O=C(NN1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S)c1ccc(Cl)cc1 409369514 CFVDEIQPELIBFD-SXGWCWSVSA-N 442.905 3.993 10 40 IHCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 4330762 KKDJQDCZGGYZTI-OAQYLSRUSA-N 428.964 3.606 10 40 IHCB CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccc(Cl)cc1Cl 8385680 FXGNIEBTEYWTNL-UHFFFAOYSA-N 435.263 3.721 10 40 IHCB Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 9303152 XELSQRYVFXHJRX-FSSWDIPSSA-N 437.451 3.690 10 40 IHCB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc(O)c(O)c2)n2c1nc1ccccc12 20675982 FNLKNVSNXBQQAZ-LEWJYISDSA-N 437.496 3.753 10 40 IHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 223660411 WRUKNIPKCDOPLL-FGZHOGPDSA-N 449.580 3.728 10 40 IHCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl 409089648 NHYPNQFVERLSKO-WPBJZHHJSA-N 441.958 3.662 10 40 IHCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1NC(=O)c1ccccc1 409202182 PPRHGXAVWYFQGG-BKUYFWCQSA-N 432.455 3.721 10 40 IHCB C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCN(c2ccccc2)CC1 13038661 VMFRXSYMNBVNOD-SFHVURJKSA-N 439.515 3.611 10 40 IHCB CCOc1c(Br)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Br 34689859 QRSKWWMDHJRLOR-WDZFZDKYSA-N 448.136 3.717 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1 59435772 SRKGKNJYCYKUBQ-ZHZULCJRSA-N 437.492 3.628 10 40 IHCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1cc2c(cc1Br)OCO2 409133490 UGZYEEKHJJIYCM-CHHVJCJISA-N 431.267 3.578 10 40 IHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 409234460 WWFSLEWVEDNHET-RCCKNPSSSA-N 444.560 3.991 10 40 IHCB Cc1c(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)oc2c(O)c(O)ccc12 8764275 WQRCTLNBZVILLT-UHFFFAOYSA-N 426.856 3.549 10 40 IHCB biogenic O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCCn1ccnc1 9187644 FMILKTBUGHVVCT-LGMDPLHJSA-N 449.001 3.724 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc2oc(=O)ccc2c1 9253452 WXDLMWHLDXXRIU-WJDWOHSUSA-N 426.475 3.616 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)cc1 9425286 GJRXANRCAKBTGI-QNGOZBTKSA-N 447.560 3.615 10 40 IHCB CN(C)c1ccc(/C=c2/sc3nc([C@@H]4[C@@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 27024303 ONAVNDPXHCQBMD-LJIZWLQASA-N 435.380 3.823 10 40 IHCB CCOC(=O)[C@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 33410706 VJGHLUHKEFWWKH-NOEYKIMYSA-N 430.460 3.632 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(C(=O)O)c(O)c1 33537452 XFIRTTFYEQNLBC-VIZOYTHASA-N 448.909 3.584 10 40 IHCB CCOc1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 56946181 LFHYHKKFYFWNJK-XMMPIXPASA-N 449.551 3.980 10 40 IHCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2O)C1=O 408898575 XBXSFWDQIUIDLW-NTUHNPAUSA-N 435.661 3.783 10 40 IHCB CN(C)c1ccc(/C=C2/SC(=O)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=S)cc1 1799951 OCWJAPIMRDIPLV-MHWRWJLKSA-N 428.495 3.843 10 40 IHCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 4330811 ZKEUNTPUFKBWDT-OAQYLSRUSA-N 428.964 3.606 10 40 IHCB Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 10113190 QSQPKVIZJOYSRX-HXUWFJFHSA-N 443.613 3.765 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1nccn1-c1cccc(F)c1 12535010 VIOJCTWWSHJYSP-UHFFFAOYSA-N 440.544 3.599 10 40 IHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccs2)N2CCc3ccccc3C2)cc1 16915013 HOIGUDWWWKWHBM-JOCHJYFZSA-N 441.622 3.892 10 40 IHCB CCOCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S 20310799 OQZLEGFRXPMTDL-CYVLTUHYSA-N 443.594 3.699 10 40 IHCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20489419 USAHZXWUVAMITB-UHFFFAOYSA-N 441.597 3.533 10 40 IHCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 223147710 SSONROUGEYKMIC-UHFFFAOYSA-N 427.364 3.782 10 40 IHCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc2c(c1)OCCO2 408853185 ZIWQFAPPUQJRNK-DHZHZOJOSA-N 435.288 3.596 10 40 IHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 409010926 GHHXEMMORHYKGM-YFEUJDIGSA-N 443.481 3.990 10 40 IHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 409046817 MNLVHCTVFOZASY-UHFFFAOYSA-N 425.268 3.626 10 40 IHCB CN(C)c1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 9471614 UJGPSLIWRYIYQV-RGFVMQALSA-N 432.973 3.635 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3Br)cc2)S1 408767144 WACSGGNLAPSZLL-YBEGLDIGSA-N 445.294 3.775 10 40 IHCB COc1cc(Br)cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1O 12607082 CICOUDXXUDLIQE-YJYMSZOUSA-N 433.302 3.909 10 40 IHCB COc1ccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@H](C)C5)nc4)no3)CC2)cc1 49409663 CSZAXZDVTAGQMM-IBGZPJMESA-N 448.571 3.699 10 40 IHCB O=C1N[C@H](c2c(O)ccc3ccccc23)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 57531276 UFPDWGZXDYVWTN-WAOWUJCRSA-N 430.382 3.649 10 40 IHCB O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 409100135 QATFFOSLSGCDEI-UYRXBGFRSA-N 425.466 3.668 10 40 IHCB COc1ccc(N2CCN(C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)CC2)cc1 12548798 PXLWYZUYFUFRLH-RUZDIDTESA-N 443.547 3.905 10 40 IHCB COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3nsnc23)c1 33048041 CTPXPJWRFKQSOO-UHFFFAOYSA-N 440.506 3.753 10 40 IHCB O=C1/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 34897390 NENNALKWIMOBFG-UYRXBGFRSA-N 441.534 3.833 10 40 IHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 59514579 XMFFCZWGARQFBN-MHWRWJLKSA-N 430.463 3.654 10 40 IHCB CCOc1cccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@H]2CCS(=O)(=O)C2)c1 9280941 DUOWRSCNXPEQPN-QFIPXVFZSA-N 444.597 3.761 10 40 IHCB CCCCCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OCCC)C2=O)c2ccccc21 27563043 UIIOLBCQQCUROQ-ZCXUNETKSA-N 432.567 3.748 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N21 103521660 SWLLMWRMWZRRET-GXRSIYKFSA-N 448.494 3.839 10 40 IHCB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1 224502110 UIOFQZCYVGRYFI-UHFFFAOYSA-N 437.565 3.816 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 409223545 ZZVKOPOTHLRQLU-KGENOOAVSA-N 433.508 3.969 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1 8453086 BBICDOOZFGRCDZ-DUTHXDNBSA-N 448.382 3.915 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCSc1ccc(C)cc1 8984583 PMXWJSPAAMPVJY-UHFFFAOYSA-N 440.521 3.609 10 40 IHCB CC(C)COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9471647 GWRFRHXECMJDDH-JOCHJYFZSA-N 444.597 3.617 10 40 IHCB COc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 16216681 WCEUZAPGWYGMLP-ZDLGFXPLSA-N 445.518 3.569 10 40 IHCB CN(C)c1ccc(/C=c2/sc3nc([C@H]4[C@@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 27024309 ONAVNDPXHCQBMD-POFXSKLVSA-N 435.380 3.823 10 40 IHCB CCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 56946180 LFHYHKKFYFWNJK-DEOSSOPVSA-N 449.551 3.980 10 40 IHCB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1)c1ccccc1 257317469 VJVULZWASAWSPV-DVECYGJZSA-N 444.535 3.706 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408878110 ZUXSOHUISBXBBR-CXUHLZMHSA-N 429.270 3.741 10 40 IHCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCC3)c(OCC)c2)SC1=S 409363843 UPYORSQGTZCJJS-QGOAFFKASA-N 434.583 3.698 10 40 IHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)N2CCc3ccccc32)cc1 10188429 SMJZUPSGZVNCRH-DEOSSOPVSA-N 446.526 3.750 10 40 IHCB O=C(O)c1cccc(-n2cccc2/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c1 13751538 CJBBYGLSVYQHCY-VBKFSLOCSA-N 435.436 3.986 10 40 IHCB O=C(Cn1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)N=C2O)c2ccccc21)N1CCCCC1 33305849 MWZXTBXUHITVBH-XSFVSMFZSA-N 448.523 3.899 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(O)c(C(=O)O)c1 33548425 QIZMGBFVRKEASX-VIZOYTHASA-N 448.909 3.584 10 40 IHCB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OCC 34763239 NCBHNXQTUNPFQP-ZROIWOOFSA-N 429.947 3.902 10 40 IHCB COc1ccc(CCN2C(=O)N=C(O)/C(=C\Nc3ccc4c(c3)CCC4)C2=O)cc1OC 103120748 TUBRTHFIEPVLLL-XMHGGMMESA-N 435.480 3.650 10 40 IHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1[N+](=O)[O-] 408692396 LPIZZYWOOYZSCF-YBFXNURJSA-N 436.468 3.715 10 40 IHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 408960204 DNBWDUOROQVNKR-PVZSTHCMSA-N 442.225 3.580 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)c(C)c1 409133766 RNYWWLDKXVDWFU-CPNJWEJPSA-N 445.500 3.624 10 40 IHCB CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1 22928625 SREUMNPXEXMSSB-VWLOTQADSA-N 445.615 3.761 10 40 IHCB Cc1cccc(COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])c1 33720789 PDXMHWCLXBIRFW-ZHZULCJRSA-N 429.432 3.944 10 40 IHCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 408868772 OORDRGSNVPPDFE-OVCLIPMQSA-N 435.661 3.778 10 40 IHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 408888662 YOKOPSKEEIWSRC-DEDYPNTBSA-N 432.407 3.777 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 2441974 KCGUUCAKPQAXQF-LDVJMBRRSA-N 444.531 3.696 10 40 IHCB COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 9337191 VTUMWCHINRBXIS-UHFFFAOYSA-N 445.519 3.566 10 40 IHCB COc1ccc(N2CCN([C@H](CNC(=O)OCc3ccccc3)c3cccnc3)CC2)cc1 56896175 PYMQVSZDRPEGEW-RUZDIDTESA-N 446.551 3.880 10 40 IHCB CC(C)COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1Br 408601936 MGUIDRZHRQQXJW-MLPAPPSSSA-N 430.345 3.770 10 40 IHCB O=S(=O)(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccc2nsnc12 2383415 DDZDDNDXRSYOND-UHFFFAOYSA-N 426.310 3.985 10 40 IHCB CCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 9166460 CQBMMBYFMGLQGD-SSZFMOIBSA-N 446.598 3.533 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)cc1 408773176 PSUIRPSDOXFHQS-DEDYPNTBSA-N 443.459 3.767 10 40 IHCB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC 408867206 KDMDGCMVMWJKEI-LCYFTJDESA-N 432.835 3.943 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)c(C)c1 409136150 SWIKGJVOYMRYEQ-CPNJWEJPSA-N 430.533 3.937 10 40 IHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3OC)C2=O)c1 409235584 CFEBCPXACHOGFQ-KGENOOAVSA-N 449.507 3.751 10 40 IHCB COc1ccc2c3c(n(C[C@H](O)c4cccc(O)c4)c(=O)c2c1OC)-c1ccccc1C3=O 604406399 XZXOLYCKYPVZRS-IBGZPJMESA-N 443.455 3.669 10 40 IHCB biogenic COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cc(C)cc(C)c4)o3)CC2)cc1 929479 XDFWOROTYGFTEI-UHFFFAOYSA-N 438.553 3.803 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1C 9135760 PHGHRISWRRBOJY-DEOSSOPVSA-N 434.584 3.578 10 40 IHCB CCCCN1CCc2cc(/C=C3\C(=O)N=C(O)N(c4cc(OC)ccc4OC)C3=O)ccc21 13749622 WXIWZZNONZPGCU-XMHGGMMESA-N 449.507 3.737 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C(=O)NC1=S 409167808 NMERYTFNMPLKMC-LDADJPATSA-N 446.532 3.637 10 40 IHCB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 13572413 AJIUFKZAQMWROJ-CYUIRQCWSA-N 446.981 3.994 10 40 IHCB CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc1 17836098 ALIZLAJBCPUITL-XSFVSMFZSA-N 430.505 3.575 10 40 IHCB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc21 225692575 AUMMHQFGTWZDPN-UHFFFAOYSA-N 431.583 3.552 10 40 IHCB O=C(O)/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1 408634350 PWUYYWZOSICKHK-LDADJPATSA-N 426.454 3.526 10 40 IHCB CC1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 8819621 VQSRLTQSPFYFQX-PDGQHHTCSA-N 432.567 3.655 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 13899464 FFFDRWQUKLURFB-MOSHPQCFSA-N 433.395 3.774 10 40 IHCB Cc1ccc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 33375493 OAKNYGQASMKMDX-RGEXLXHISA-N 443.415 3.584 10 40 IHCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1CCS(=O)(=O)O 2278533 RMLGFCRZXIMZBO-ZROIWOOFSA-N 429.928 3.689 10 40 IHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CCc3ccccc32)cc1 10188431 OKRBNJGALFTPQI-DEOSSOPVSA-N 446.526 3.750 10 40 IHCB CCN(CC)c1ccc(CN(C)C(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 12543560 AXHDMBYMMPAELL-UHFFFAOYSA-N 448.493 3.807 10 40 IHCB CCCCc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49004020 BGKBCXVZOBUZMI-UHFFFAOYSA-N 444.528 3.794 10 40 IHCB CN(C)c1ccc(CNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 224517698 BEXKGSYOWNRUSB-UHFFFAOYSA-N 437.565 3.503 10 40 IHCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 409103830 ZDXWJNQMMUSOMO-YRUBURHZSA-N 429.454 3.600 10 40 IHCB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1ccc(F)cc1 8810868 VQGAVEZHOGRKSV-UHFFFAOYSA-N 432.404 3.747 10 40 IHCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1CCc1ccccc1 9049749 SNLMGLQZBGPONQ-VXLYETTFSA-N 436.514 3.701 10 40 IHCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1ccc(O)cc1 13573962 IAMUOLQXEZOBDA-FJASIERCSA-N 438.574 3.899 10 40 IHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1 41082602 DCUNUYHETMJJFN-ZWPOCWBHSA-N 433.464 3.993 10 40 IHCB Cc1cc(C(=O)CN2C(=O)C[C@@]3(CCSC3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 72311158 ADMFDRRFLQRSIH-JOCHJYFZSA-N 448.491 3.760 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)cc1Cl 409204693 JLOKTESFHGQFPD-HRYJJRBTSA-N 441.915 3.912 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 8819358 CYGHEIQIQMKXMT-WQRHYEAKSA-N 428.535 3.852 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)c1C 409135510 RTKFVZAVMNVVJZ-CPNJWEJPSA-N 446.488 3.834 10 40 IHCB COC(=O)c1cccc(-n2c(C)cc(/C=C(/Sc3n[nH]c(C)n3)C(=O)O)c2C)c1C 409195948 XBYNIEDUECVFEO-VCHYOVAHSA-N 426.498 3.833 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 585261992 MECYUAFWTNMDGY-OAQYLSRUSA-N 448.567 3.665 10 40 IHCB CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1cccc(OC)c1O)N2 15830184 RMLXICTXVNAQCQ-LJQANCHMSA-N 439.512 3.579 10 40 IHCB biogenic O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C(O)=NC(=S)N1c1ccc(Cl)cc1 32116969 YPGBMYNREDKFRA-LFYBBSHMSA-N 431.813 3.649 10 40 IHCB CN1C(=O)/C(=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)SC1=S 408724722 HADCCDSSZUHMNS-UUASQNMZSA-N 445.434 3.553 10 40 IHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 408810598 MJVBVMYCVONQPD-FYJGNVAPSA-N 443.415 3.840 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCc1ccc(O)cc1 9429833 BJIWHFMWJHNPMZ-AQTBWJFISA-N 446.981 3.996 10 40 IHCB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C 223715033 BSIZJOLDWXGCOJ-XZOQPEGZSA-N 449.580 3.810 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OC 409080126 LLWKZCOWNDPEFY-ZEVOCZHWSA-N 444.372 3.847 10 40 IHCB COc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1 13570537 HGOGYWAEMZQSRU-WOJGMQOQSA-N 447.403 3.838 10 40 IHCB C[C@@H](C(=O)N1CCCC[C@H]1CCO)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 13575569 ZUXZQTWEAGGDBD-GIRDLMQZSA-N 439.002 3.693 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C(O)=NC2=S)cc1 20290537 BLAPAQUJTDHBTK-UYRXBGFRSA-N 447.472 3.856 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(O)c1 33532810 JBAFVQSNLKFYRF-JQJCZHNNSA-N 442.504 3.862 10 40 IHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409233517 KXGCVWHMDCOHFH-ZROIWOOFSA-N 438.783 3.570 10 40 IHCB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 409348550 ONYPCPCFBABNOH-CNHKJKLMSA-N 431.491 3.847 10 40 IHCB CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cc(C)ccc3O)C[C@H]21 10214527 JUTZUZWCDHOCRU-OAQYLSRUSA-N 435.524 3.981 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3CCC(C)C)CC2)cc1 13505351 HTDJVQAAVMIMDM-QHCPKHFHSA-N 438.551 3.779 10 40 IHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(=O)c1ccc(Br)cc1 16134495 DOADNAUWFIFWRV-UHFFFAOYSA-N 445.357 3.907 10 40 IHCB CCCN1C(=O)/C(=C\Nc2sc(-c3ccccc3)cc2C(=O)OCC)C(=O)NC1=S 102908549 BMVCBKYAECGCLQ-QINSGFPZSA-N 443.550 3.541 10 40 IHCB CCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 1308227 ACENZBYPRKPCPK-ATVHPVEESA-N 442.610 3.850 10 40 IHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O 8819317 RXCCYCXZCAFFHP-ATVHPVEESA-N 443.506 3.833 10 40 IHCB CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCCCC3)ccc21 13007752 LXUAZDHUHFKTON-GOSISDBHSA-N 432.362 3.991 10 40 IHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 113834181 QORBNOMPROPUBN-DEDYPNTBSA-N 445.431 3.644 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)C1 260910035 WJDXPMODJWKTKX-ZWKOTPCHSA-N 429.586 3.664 10 40 IHCB COC(=O)c1ccc(Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)o1 604405354 RIBPNWZBIOKNKK-UHFFFAOYSA-N 445.427 3.658 10 40 IHCB biogenic Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(O)cc3O)C2=O)c1 83308389 AYZCXIVJNICTBM-AWNIVKPZSA-N 431.242 3.984 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 208678565 HOJCPDDNBDUXOV-BKUYFWCQSA-N 444.447 3.977 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 408953191 OSUSWZUTSWWQQN-RCCKNPSSSA-N 430.533 3.683 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1Cl 8964191 RLMBWURXWJSWOF-QFIPXVFZSA-N 440.975 3.533 10 40 IHCB O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 18219556 MUKPFLNQXJJISD-PCCBWWKXSA-N 441.414 3.521 10 40 IHCB O=C(NC1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1)c1ccccc1 32932631 ZVDWVGHQHDPJCW-UHFFFAOYSA-N 430.504 3.723 10 40 IHCB CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 34909860 MYYHCNVLYOWRAP-CDCQXCROSA-N 449.290 3.785 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257299760 RRMLUBSKQXLELY-HXUWFJFHSA-N 448.567 3.665 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 408723086 QGNFRRPQIQOZMJ-NTUHNPAUSA-N 437.304 3.842 10 40 IHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c1 409249647 NTPDYCWAIBQFQF-UDWIEESQSA-N 430.533 3.937 10 40 IHCB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007894 IPUJSNVXAXKCOD-XMMPIXPASA-N 434.584 3.578 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)O 16915652 KEUHDLHVXQADMK-WOJGMQOQSA-N 445.518 3.963 10 40 IHCB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)ccc21 225547186 IKVGEXPKGZOBEC-GOSISDBHSA-N 441.597 3.701 10 40 IHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409070262 LFKPEHYMGZCPMJ-OMJMQIJPSA-N 429.454 3.600 10 40 IHCB O=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCc2ccccc21 17192398 GWAIYYPWRAMFPT-HXUWFJFHSA-N 440.503 3.521 10 40 IHCB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cc(Br)ccc2OC)c1 21124301 UZOUTCYQNPZPOZ-FPYGCLRLSA-N 447.329 3.955 10 40 IHCB Cc1cccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2ccc(N(C)C)cc2)CC1 72340676 BEGWUEFEJXJLMO-SANMLTNESA-N 434.559 3.999 10 40 IHCB CCc1ccc(N(CCCC(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 224479189 YWUHMGYMTNVNJJ-UHFFFAOYSA-N 445.629 3.958 10 40 IHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(F)cc3F)C2=O)ccc1Br 408535630 UBUMMTPVHCOXOQ-XYOKQWHBSA-N 436.212 3.615 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Cl)c1 12032334 HIVKWYCEOKIXKU-APSNUPSMSA-N 432.910 3.909 10 40 IHCB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 14696820 NGLIARZEBYMVFO-UHFFFAOYSA-N 427.526 3.605 10 40 IHCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1 15799623 LZLHCCCNMRWBMA-PDGQHHTCSA-N 425.441 3.539 10 40 IHCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(O)c(OC)c3)C2=O)c1 59105092 RMAPBMIXUFIUGY-XNTDXEJSSA-N 426.425 3.705 10 40 IHCB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@@H]2C1=O 100799134 OHZDMHXAYPJNCU-FHWLQOOXSA-N 445.313 3.801 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1C(=O)O 409213363 SYLFMGNGOSGOMR-SFQUDFHCSA-N 447.422 3.598 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3nc(-c4cccs4)oc3=O)c2C)cc1 15399013 RICYUQCRBRIRBT-UHFFFAOYSA-N 437.477 3.642 10 40 IHCB CC(C)OC(=O)COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 33525667 IDXOZBSGRLSWBQ-STZFKDTASA-N 430.460 3.632 10 40 IHCB COc1ccc(Nc2nc(Cl)nc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 968744 LSTSTGCNNCPGGM-UHFFFAOYSA-N 426.908 3.612 10 40 IHCB COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 6405195 VEDZYRAAGAMWHG-UYRXBGFRSA-N 437.908 3.971 10 40 IHCB COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137992 VLILQGSNVMUPDR-HSZRJFAPSA-N 437.584 3.800 10 40 IHCB CCN(CC)c1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 12545218 IBMPRLUSDVPLKA-UHFFFAOYSA-N 437.993 3.709 10 40 IHCB CN(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 13503974 GJUAYSTWJCMVSV-JOCHJYFZSA-N 437.567 3.545 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(O)cc1 13512639 HLXDQUHUZRNGLV-UDWIEESQSA-N 435.480 3.770 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)N=C1O 16226481 FILLFOMEEHPILK-ZSOIEALJSA-N 446.213 3.873 10 40 IHCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 101480051 LYWNPVXGAPZUCK-FNAHDJPLSA-N 436.895 3.636 10 40 IHCB O=C(c1ccco1)c1coc2ccc(O)c(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c12 218078354 RPYTXNJABMZOIK-JKSUJKDBSA-N 430.460 3.743 10 40 IHCB O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1C[C@@H]1CCCO1 409093325 YWIMFEXUOOJLGN-YXBHYIBOSA-N 428.329 3.558 10 40 IHCB COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S 409145081 MFYYLTOETJLGDF-LJQANCHMSA-N 435.542 3.831 10 40 IHCB CCOc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OCC(=O)N(C)C 13042132 WHJCJRXPVLTXOB-MOSHPQCFSA-N 439.537 3.943 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1 32109462 BBICDOOZFGRCDZ-OYDJDMIMSA-N 448.382 3.915 10 40 IHCB CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c2ccccc21 59594597 LHQJJVHUGLTHFF-GZTJUZNOSA-N 435.505 3.510 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)c1C 409194223 PFRFVWRMVPIXTD-BRFSQIRFSA-N 447.516 3.735 10 40 IHCB CCOC(=O)c1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1 48988467 REIKCFONCBGTDJ-UHFFFAOYSA-N 440.521 3.643 10 40 IHCB Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@@H](C)c3cccc(S(N)(=O)=O)c3)c2C)c1 84213237 SXGSRZKMKYGVMQ-KRWDZBQOSA-N 425.554 3.883 10 40 IHCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)cc1 106763000 SUWKEFVKUFQXCI-MOSHPQCFSA-N 439.537 3.761 10 40 IHCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cccc(Cl)c3)C2=O)ccc1Br 408535028 SCLQCCQLKUPVRO-NTEUORMPSA-N 434.677 3.990 10 40 IHCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 408960284 KRBDRWGZHIVHJT-ZHZULCJRSA-N 437.521 3.970 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C2=O)cc1 9311154 UMGTUXMQFMDRBY-BKUYFWCQSA-N 430.464 3.554 10 40 IHCB COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 20037450 UPHGSAXNIXBKQR-BCOWZEOYSA-N 435.461 3.780 10 40 IHCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1C 40564367 ZHSDQSIPIYLKPS-MEFZMRIGSA-N 431.491 3.693 10 40 IHCB COC(=O)COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 409038048 ZKIJLSCIQDLNPP-KPKJPENVSA-N 440.324 3.740 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCN(c2ccccc2)CC1 8820308 RFCANSWRSWZVCC-KNTRCKAVSA-N 441.578 3.610 10 40 IHCB COc1cc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc(OC)c1OC 12140503 LSVSTYRQLIDEMX-PXNMLYILSA-N 447.490 3.522 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 12469631 ZOAJHSJHLLHMJB-BKUYFWCQSA-N 429.501 3.651 10 40 IHCB Cc1cc(C(=O)CN2c3ccccc3CC[C@@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13071736 AQAFTRQCXCYBNE-INIZCTEOSA-N 437.565 3.766 10 40 IHCB O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1CCCN1CCOCC1 96930805 PVZKYJDEAMEMER-RVDMUPIBSA-N 445.379 3.512 10 40 IHCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 225847821 VAZATRWXZLRAJY-QFIPXVFZSA-N 431.602 3.702 10 40 IHCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 408917652 ZGTJHGZAEFENDW-BOPFTXTBSA-N 436.420 3.615 10 40 IHCB Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c2C)c1 1584437887 WMHOXYDTZRDXTM-AREMUKBSSA-N 444.535 3.696 10 40 IHCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 2396696 ZRLGWQRHDBFQHO-SSZFMOIBSA-N 430.599 3.931 10 40 IHCB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(N2CCCCC2)cc1 12569546 XWZDOEVBQQYHCY-UHFFFAOYSA-N 438.963 3.982 10 40 IHCB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(C)c1 13008089 MDQFDWSGDAMWOO-XMMPIXPASA-N 448.611 3.886 10 40 IHCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408873008 LTYYIRGVLVOTDC-STZFKDTASA-N 434.492 3.785 10 40 IHCB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409070255 LFKPEHYMGZCPMJ-NWRYFCBHSA-N 429.454 3.600 10 40 IHCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cccc1OC 409168693 RODPMQWNIFMQIN-BXWAGETQSA-N 440.521 3.712 10 40 IHCB COc1ccc2c(/C=C3\SC(=S)N(c4ccc(C(=O)O)c(O)c4)C3=O)c[nH]c2c1 9348466 UOCHVBOOSZSAMB-FMQZQXMHSA-N 426.475 3.986 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)CC1 22363373 MUJIVKGDYVXMGV-GOSISDBHSA-N 447.576 3.705 10 40 IHCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)SC1=S 33745294 UTGXMIUUWREWMQ-YHYXMXQVSA-N 436.736 3.787 10 40 IHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC 59336667 MQRDFOVYKDEWHB-OQLLNIDSSA-N 432.835 3.943 10 40 IHCB CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 89960830 UAGJEJDVRXQIGC-FQEVSTJZSA-N 429.948 3.532 10 40 IHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc(F)c1 408553096 XCMKNKSWTGBQMF-YBFXNURJSA-N 427.501 3.892 10 40 IHCB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 408692143 FGGYYUVYCHJHBD-XDHOZWIPSA-N 435.480 3.505 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408813508 ULMGHNLQTATQBY-XSFVSMFZSA-N 443.415 3.840 10 40 IHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 408954629 UFLCRGPTENSINZ-XSFVSMFZSA-N 431.517 3.934 10 40 IHCB COC(=O)CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1 408994056 YEQIOAVTQBBZHI-NRFANRHFSA-N 438.553 3.572 10 40 IHCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccccc1 409192401 WTWPEVFXCMVIFS-MOSHPQCFSA-N 445.500 3.624 10 40 IHCB O=C1/C(=C\NN2CCCC[C@H]2c2cccnc2)C(O)=NC(=S)N1CCC1=CCCCC1 8974882 BPYSPHOCVLMALG-IZBXUMLASA-N 439.585 3.971 10 40 IHCB Cc1cc(/C=C2/C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 13801096 YBQFIGROMWRCIC-GRSHGNNSSA-N 447.422 3.833 10 40 IHCB COc1ccc2ccc(O)c(CN3c4ccccc4CC[C@@H]3C(=O)N3CCN(C)CC3)c2c1 83881685 KRXCQNZGLDKOGL-RUZDIDTESA-N 445.563 3.649 10 40 IHCB COC(=O)CC1=NN(c2ccc(OC(F)(F)F)cc2)C(=O)/C1=C(\C)NCc1ccccc1 9356358 QZAOCPNJIIUKJI-XSFVSMFZSA-N 447.413 3.915 10 40 IHCB COc1ccc(N2CCN(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)CC2)cc1 12608697 NPHBATGBMXBOKV-UHFFFAOYSA-N 447.535 3.836 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(OC)c3)C2=O)cc1 408864868 ASYSXFNZFLSGRG-LICLKQGHSA-N 445.269 3.523 10 40 IHCB O=C1N=C(O)/C(=C\c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C(=O)N1 3073045 PLPPFIIXIPGIET-UHFFFAOYSA-N 426.435 3.945 10 40 IHCB CC(/C=C1\SC(=S)N(CC(=O)N(CCO)c2ccccc2)C1=O)=C\c1ccccc1 16712726 JVAOEXDDELQTEU-BJOFFIMRSA-N 438.574 3.860 10 40 IHCB O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409131652 JNUGLFFKPFATJW-UNOMPAQXSA-N 443.456 3.807 10 40 IHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1cccs1 13165694 WVEYWFXHNFBVEE-UYRXBGFRSA-N 440.550 3.730 10 40 IHCB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260572683 QNUKBRQRJFKAIH-HNNXBMFYSA-N 436.961 3.841 10 40 IHCB COc1ccc(N2CCN(C(=O)CSc3nnc(C4CC4)n3-c3ccccc3)CC2)cc1 3555721 SDOLLWQYEHTNTE-UHFFFAOYSA-N 449.580 3.594 10 40 IHCB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(C)c1 13008092 MDQFDWSGDAMWOO-DEOSSOPVSA-N 448.611 3.886 10 40 IHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(I)c1O 408904166 FUHYUFVQRUIMDV-RIYZIHGNSA-N 449.204 3.711 10 40 IHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 409037203 SNSPEJVWEIBFNR-WAPJZHGLSA-N 441.268 3.825 10 40 IHCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 59138759 HHRNGPHJXYSHDA-KGENOOAVSA-N 443.459 3.801 10 40 IHCB COc1ccc(N2CCCN(CC3CCN(C(=O)c4cc(C5CC5)on4)CC3)CC2)cc1 72338563 LSZJFYAHFAREDV-UHFFFAOYSA-N 438.572 3.625 10 40 IHCB C/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 101664332 BQFPVIRGCMWTSG-HKWRFOASSA-N 428.521 3.877 10 40 IHCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 409093539 ACTVEYONOONTKS-MDWZMJQESA-N 446.912 3.506 10 40 IHCB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 409200742 ITWGBSLLFBORAK-STZFKDTASA-N 435.549 3.948 10 40 IHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409232194 ORSMMDRZBKINSA-CIAFOILYSA-N 440.434 3.890 10 40 IHCB Cc1cccc(N2C(=O)N=C(O)/C(=C/NC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)c1C 16349978 SHCLLEMEMRFKBY-PDGQHHTCSA-N 436.512 3.878 10 40 IHCB O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 35147823 HKMVRNLKLNXWRX-LDADJPATSA-N 444.900 3.746 10 40 IHCB O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 44910871 LRWVYNVNDGNDFR-UHFFFAOYSA-N 427.976 3.705 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)CC1 218342481 MMAFDGVVFDSYRC-SFHVURJKSA-N 429.586 3.810 10 40 IHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 409392093 KVXIRUPYZCZTBF-WJDWOHSUSA-N 438.237 3.771 10 40 IHCB COc1ccc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1Br 725143 FYBYWAMHZPDVFE-NTUHNPAUSA-N 441.203 3.938 10 40 IHCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1 780458 HEADCVRLLCPFSS-UHFFFAOYSA-N 441.959 3.550 10 40 IHCB COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 8801613 DUMKHFDUTSPFMO-JOCHJYFZSA-N 443.613 3.501 10 40 IHCB COc1cc(/C=C2/SC(N)=NC2=O)ccc1OCC(=O)Nc1cccc2ccccc12 96905115 RDBHPRFURDBDCP-UDWIEESQSA-N 433.489 3.795 10 40 IHCB C[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 218323152 GQLDGAPIVRVBBJ-MSOLQXFVSA-N 447.576 3.705 10 40 IHCB Cc1cc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Br 225776293 SECPFYZPEYUNEJ-UHFFFAOYSA-N 433.419 3.996 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)C1 260453232 GQLDGAPIVRVBBJ-ROUUACIJSA-N 447.576 3.705 10 40 IHCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 408908379 BZPZLHSAYSEDSF-JAIQZWGSSA-N 448.410 3.808 10 40 IHCB Cc1cccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1C 96936832 MSMHAQBUODPZCV-ODLFYWEKSA-N 440.546 3.663 10 40 IHCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C 408757374 MRMGOLXLNMYJJB-MTJSOVHGSA-N 445.435 3.902 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 2070515 DAVLRJLYBUZYPN-ATVHPVEESA-N 442.518 3.623 10 40 IHCB Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc2ccccc21 8821935 NPUDXLVWDZODKZ-GZTJUZNOSA-N 438.490 3.633 10 40 IHCB Cc1cc(C(=O)COC(=O)Cn2c(C)csc2=O)c(C)n1-c1ccc(F)c(Cl)c1 12563347 KZESVKJMRSMBJC-UHFFFAOYSA-N 436.892 3.844 10 40 IHCB O=C(O)c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3[C@@H]3C=CC[C@H]32)c1 14944234 GQICLGHDBAZQOY-OPYAIIAOSA-N 448.504 3.802 10 40 IHCB O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830660 AJVDRKKXFSHMKR-UUASQNMZSA-N 431.407 3.638 10 40 IHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 1238451 NPISJPPUEYVSRB-ODLFYWEKSA-N 443.546 3.957 10 40 IHCB COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 14010788 BYQZIGPBUYSORS-ZROIWOOFSA-N 435.661 3.778 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 2777086 UZJMLXHRSOGLHI-CPNJWEJPSA-N 446.415 3.710 10 40 IHCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 12275231 JKXPSLRGOINWPI-OQZOHAQUSA-N 438.324 3.939 10 40 IHCB CCOc1ccc(N/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)N=C2O)cc1 102550832 NALZHAWCBAXGCA-NBVRZTHBSA-N 439.468 3.560 10 40 IHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1O 223269246 MRTOGLLLXUFCMU-XZOQPEGZSA-N 435.597 3.729 10 40 IHCB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC 408869838 UGSFPVRCCYOOMQ-GDNBJRDFSA-N 430.913 3.969 10 40 IHCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 408917533 WNTFZSMKVNXOTJ-BOPFTXTBSA-N 436.420 3.615 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)c1 408961917 VMWHJBVCELFJBT-XDHOZWIPSA-N 430.416 3.928 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)c1 409196394 ZWNFRPPWAZTMCX-UZUMKDMXSA-N 447.516 3.735 10 40 IHCB Cc1ccc(C)c(OCCn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)c1 666865 AJKCEBMYKYMYIH-UHFFFAOYSA-N 447.560 3.936 10 40 IHCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccs2)N2CCc3ccccc3C2)cc1 16915018 HOIGUDWWWKWHBM-QFIPXVFZSA-N 441.622 3.892 10 40 IHCB Cc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)o1 96221349 YMFWJLFMOFEHMW-LLVKDONJSA-N 436.372 3.625 10 40 IHCB biogenic O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N1 408816631 ZAKQMGHEVJZRJK-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB COCCNc1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)s1 9442161 ROZJCLAWJREPEI-UHFFFAOYSA-N 446.554 3.708 10 40 IHCB CCc1cc2c(C)cc(=O)oc2c(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1O 32899864 PXOGUDACMFYYRA-LJQANCHMSA-N 441.549 3.559 10 40 IHCB CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)SC1=S 35128203 AOLQCIYEJUSDMY-ATVHPVEESA-N 428.535 3.934 10 40 IHCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OC(C)=O 58865800 OBAZFVIMPZRAIF-UHFFFAOYSA-N 439.258 3.527 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1sccc1C 408896282 XIAIVATVICGXBE-LGMDPLHJSA-N 427.522 3.989 10 40 IHCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1OC 1259708 CXHTUJNXZWBBPD-XNTDXEJSSA-N 434.926 3.903 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)cc1OC 1815055 FDLZXRWZCRWRLH-GQVHDAKQSA-N 427.569 3.501 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)cc3)C(=O)NC2=S)cc1 9360345 BXJPZVBCCIGFPY-LTGZKZEYSA-N 435.549 3.907 10 40 IHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1cccs1 18222867 SWAWPWXWZNRITO-PDGQHHTCSA-N 426.523 3.687 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccc(Cl)cc1O 54360752 VLZDXWLGMBQXFZ-SXGWCWSVSA-N 434.926 3.981 10 40 IHCB O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 106698332 NLAWMUCANODQGT-UNOMPAQXSA-N 443.456 3.807 10 40 IHCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409200265 HTVMSFYEJISFKH-LDADJPATSA-N 446.419 3.642 10 40 IHCB COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3sc4ncnn4c3O)CC2)cc1 22609746 POLUYTDERRYASW-IBGZPJMESA-N 439.516 3.556 10 40 IHCB CCOc1c(I)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 409005013 CUEIXUOTUULZSA-WQLSENKSSA-N 449.335 3.920 10 40 IHCB COc1ccc(COc2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)cc2)cc1 409107383 RKYHSTXKPYNKSQ-LDADJPATSA-N 429.519 3.950 10 40 IHCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O 409123223 AQWHNIUXWARDSG-XDHOZWIPSA-N 428.510 3.872 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409199606 ICCHERYSBZLKQC-GDNBJRDFSA-N 429.816 3.913 10 40 IHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F 13943072 RYCRRSDDWSXYID-NTEUORMPSA-N 440.818 3.531 10 40 IHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCC)c3)C2=O)cc1OC 409131576 YHMCUUACUKOYBA-UYRXBGFRSA-N 438.480 3.545 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 409241815 YTDBJJOTYDPNPU-STZFKDTASA-N 448.523 3.525 10 40 IHCB N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 9158047 UXCPOTLZYBYXAI-BWFWVIOXSA-N 443.444 3.707 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 9282752 SWLLMWRMWZRRET-CLAROIROSA-N 448.494 3.839 10 40 IHCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C 14903972 JCUZKZAZVIBWGE-WOJGMQOQSA-N 428.535 3.900 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\N[C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 20790634 BDQOMFVODZMWHA-XYUFNABMSA-N 437.540 3.747 10 40 IHCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1O 409127596 DKCZCLXNENHMND-ZROIWOOFSA-N 433.283 3.564 10 40 IHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 409408185 JEOBZKWFDVCAGN-HKWRFOASSA-N 428.444 3.766 10 40 IHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)S1 33439077 LPHNWUSHYRBZLY-NVMNQCDNSA-N 443.912 3.772 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1 33784295 INBOWYGPKJPZHD-UNOMPAQXSA-N 445.431 3.644 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OC 35331236 SCAQZLYXNQEWGV-XYOKQWHBSA-N 446.344 3.532 10 40 IHCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1 408759192 ZKNMPSGMTUYFKR-RGVLZGJSSA-N 443.459 3.798 10 40 IHCB CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC 408971973 NABXHNZJLVOCPM-WJDWOHSUSA-N 448.397 3.986 10 40 IHCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Br)o1 409238379 NIYKQYKYYRVFOB-YRNVUSSQSA-N 445.216 3.892 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OCc1ccccc1 3532600 RPGIASYCYYOXGZ-PDGQHHTCSA-N 429.519 3.950 10 40 IHCB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(CC)CC)cc2)N3)C1 4091831 DJKOZFLTIQYWSP-LJQANCHMSA-N 428.558 3.963 10 40 IHCB N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 9358800 JYJPDOCNMRLLGX-OXMFYWCOSA-N 444.432 3.917 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C(=O)O 10038281 GQDILFNZBOLPQU-MDWZMJQESA-N 449.246 3.757 10 40 IHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2OC)C1=O 8819292 DPPJGHCTXFHMMW-AQTBWJFISA-N 428.535 3.934 10 40 IHCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1 14903968 XCOAKUWAQLJURX-WQRHYEAKSA-N 428.535 3.900 10 40 IHCB N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085033 WXFZVZUZVRZULA-FBIWUZAXSA-N 431.521 3.938 10 40 IHCB O=c1oc2c(CN3CCN(Cc4ccccc4)CC3)c(O)ccc2cc1-c1ccccn1 41584955 FEMAHODYZTYBND-UHFFFAOYSA-N 427.504 3.878 10 40 IHCB biogenic COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 69452829 MLGVOQOGKGPHIO-UHFFFAOYSA-N 439.446 3.675 10 40 IHCB COc1ccc2cc(/C=C3\SC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c(=O)[nH]c2c1 102726904 RSBBENFQQSMOQH-MFOYZWKCSA-N 438.486 3.641 10 40 IHCB CC1CCN(C(=O)C2=CN(c3ccc(N(C)C)cc3)c3ccccc3S2(=O)=O)CC1 44169841 GKJFULPIRYYOPQ-UHFFFAOYSA-N 425.554 3.778 10 40 IHCB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102732754 SYPBHEQVTDEXFB-JAXLGGSGSA-N 434.423 3.591 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 408879368 FPPGAGJUCOPMJR-VIZOYTHASA-N 435.661 3.778 10 40 IHCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 9285720 FSWWIZURERMNNN-UHFFFAOYSA-N 431.492 3.782 10 40 IHCB Cc1cccc(N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)C)CC2)c1C 35289894 MMCHXKLKJQXUDG-XMMPIXPASA-N 433.604 3.848 10 40 IHCB COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1O 110422734 RZCDUTVCFTXQTD-QGMBQPNBSA-N 444.578 3.850 10 40 IHCB Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)cc1 408940852 VIQRNCKSSLCPTN-HMAPJEAMSA-N 428.444 3.946 10 40 IHCB CN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N(C)C1=S 2801661 NXFWOLUBFWZUMY-UHFFFAOYSA-N 440.264 3.760 10 40 IHCB CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c1c(c(O)c3ccccc3c1O)C2=O 5105415 YOPFLUOUFDGFGF-UHFFFAOYSA-N 432.476 3.697 10 40 IHCB Cc1nc([C@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1CCCN2C 19706093 NZDRRIFKWBUZFH-HSZRJFAPSA-N 439.579 3.870 10 40 IHCB CNc1cc(CN(C)Cc2ccc(N3CCCC3)c(F)c2)nc([C@@H]2CCCN2C(C)=O)n1 19759927 SVBVRZHJMUTJTI-QFIPXVFZSA-N 440.567 3.573 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)C1 22326617 RPFKXUZKTUVFRE-RBUKOAKNSA-N 429.586 3.566 10 40 IHCB COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 2436261 BJQRDOZKNKYYBL-WJDWOHSUSA-N 439.518 3.635 10 40 IHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1 95606352 SOYVDBUUZKUJMU-BBJJLJPOSA-N 434.481 3.757 10 40 IHCB Cc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccccc1 96300978 TVULPBNRYHGYNF-UHFFFAOYSA-N 437.926 3.988 10 40 IHCB Cn1ccnc1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccnc(Cc3ccccc3)c2)C1 257283332 OXVLERBZYNVBSX-OAQYLSRUSA-N 438.535 3.883 10 40 IHCB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S 409172260 FMAAGFDODPVHHK-VBKFSLOCSA-N 449.444 3.695 10 40 IHCB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9633150 MOTXJNZTGTVBQS-KPKJPENVSA-N 429.403 3.796 10 40 IHCB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1Cc1ccc(N(C)C)cc1 12490124 SNTLKTABKXCSED-QFIPXVFZSA-N 438.959 3.751 10 40 IHCB biogenic,in-vitro CN1CCCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCCC3)ccc21 13008243 HWSZTWYQYKHPSQ-HSZRJFAPSA-N 431.536 3.742 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc3c(c2)OCO3)c2ccccc12 35145785 UWPRXCMLPLEMHU-BKUYFWCQSA-N 437.455 3.880 10 40 IHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)cc(Br)c1O 58866214 XGTXSUOUDOOZKQ-UHFFFAOYSA-N 432.064 3.671 10 40 IHCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 408740132 IQCDIOBNUXDQQE-NTEUORMPSA-N 445.269 3.523 10 40 IHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 409394352 ZHBIVARMHVPOIJ-LFIBNONCSA-N 438.237 3.771 10 40 IHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 409243050 UXADQPBCSVKFJS-FYJGNVAPSA-N 436.487 3.520 10 40 IHCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c2c1 9259181 ZTRPFITYRDPSIX-SFQUDFHCSA-N 436.464 3.827 10 40 IHCB Cc1ccc(Cn2cccc2/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 41084771 HAYMNLGZTNDMIA-FBIWUZAXSA-N 432.553 3.907 10 40 IHCB O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44910787 RFDUEBWUEJCPFG-OAQYLSRUSA-N 427.976 3.705 10 40 IHCB CCN(CC)c1ccc(CNC(=O)COc2ccc(I)cc2)cc1 225528227 ZCBCXJMHZIORKX-UHFFFAOYSA-N 438.309 3.833 10 40 IHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br 408808449 IXNKDNWEQQKGAN-XNTDXEJSSA-N 429.270 3.903 10 40 IHCB O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1CCCN1CCOCC1 54360928 HBRWTQPMJNBQIE-LGMDPLHJSA-N 433.986 3.812 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2)c1 408807852 HZDPEZBXPJIULO-KGENOOAVSA-N 428.444 3.941 10 40 IHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 408850831 RVXRJFYTYIDGPQ-UDWIEESQSA-N 442.427 3.661 10 40 IHCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 409095921 DXAFERCZOODFKW-RQZCQDPDSA-N 429.450 3.941 10 40 IHCB Cc1ccc(/N=N\c2ccc(N3C(=O)[C@H]4[C@@H](C3=O)[C@H]3C=C[C@@]4(C4OCCO4)O3)cc2)cc1 409285064 VHJBYPIKUGWDFU-XIYPISBWSA-N 431.448 3.596 10 40 IHCB O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F 409339631 XHWKWPHGENASAO-LDADJPATSA-N 445.497 3.976 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9432100 UPHSHEUXZXPTTF-LFPIHBKWSA-N 437.496 3.506 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(I)cc3)C2=O)cc1C 408854087 XGERHOZBJYXCDC-MHWRWJLKSA-N 446.244 3.574 10 40 IHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 9355102 OJUQZSJNNOFWFB-QGOAFFKASA-N 428.945 3.930 10 40 IHCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)o2)c([N+](=O)[O-])c1 13042548 WBFVQXVOJJRHKF-YBEGLDIGSA-N 448.478 3.929 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O 13659817 XSDUFBGBWSTVMH-YBEGLDIGSA-N 434.926 3.991 10 40 IHCB O=C(O)COc1cccc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)c1 16909762 AKSUKJXGUNDENA-OQLLNIDSSA-N 433.283 3.995 10 40 IHCB Cc1cc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc(C)c1Br 59109603 AIDAGCSHLIBHEY-UHFFFAOYSA-N 444.329 3.907 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 59139521 POQCXACVYIDYEE-UHFFFAOYSA-N 448.903 3.665 10 40 IHCB Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 106751663 IIHYDOWBQHMEIE-ZDLGFXPLSA-N 443.481 3.990 10 40 IHCB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1 245241161 YGRSVIBUWOLDRY-BDTNDASRSA-N 437.451 3.690 10 40 IHCB CCCCCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 8739314 YXXCNNOVFOFECN-ZKMNFCBKSA-N 425.597 3.644 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(F)c1 14414389 BFMMSZVEGUKXHR-UYRXBGFRSA-N 425.456 3.758 10 40 IHCB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409215012 ZSUGAXACSCPVSH-RQZCQDPDSA-N 429.450 3.880 10 40 IHCB CCCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)C(=O)N(CCc2ccccc2)C1=O 8431369 WVQJEJHMEKCETG-PGMHBOJBSA-N 436.508 3.921 10 40 IHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCSCc1nc[nH]c1C 9059951 YCPSMUJBHAMYGV-QGOAFFKASA-N 426.571 3.847 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=O)NC2=S)cc1 9311433 URPVXCYQRWUFRP-QPEQYQDCSA-N 437.304 3.929 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 408741803 SATVEJAKXAIQCX-PXLXIMEGSA-N 428.444 3.941 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409063388 BBLSJSUUTMXRFB-STZFKDTASA-N 442.427 3.630 10 40 IHCB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409087063 ITWBPWQZUYDMJQ-AVPSXBMNSA-N 435.841 3.896 10 40 IHCB Cn1c(=O)c(C(=O)C[C@@H](Nc2cccc(N)c2)c2ccccc2O)c(O)c2ccccc21 104827615 PWCLXBPWHBOFQQ-LJQANCHMSA-N 429.476 3.958 10 40 IHCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(N(C)C)cc4)C(=O)N=C3S2)cc1OC 8997374 SNIBGTZERQDPNU-NUIIPWOLSA-N 449.536 3.632 10 40 IHCB C[C@@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 9429745 ZUXZQTWEAGGDBD-ULMFOFDQSA-N 439.002 3.693 10 40 IHCB CN1C(=O)C(=Cc2cccc(OCCOc3ccc(C(C)(C)C)cc3)c2)C(=O)N(C)C1=O 13942040 ODQPGSJYOATTKQ-UHFFFAOYSA-N 436.508 3.876 10 40 IHCB Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C3=CN[C@H]4SCCN4C3=O)ccn2n1 1403926 PBAHGUWSLNWOSH-JOCHJYFZSA-N 448.577 3.668 10 40 IHCB O=C1N=C(O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1 16399884 WBOQXWCRSDDLEH-UHFFFAOYSA-N 446.213 3.526 10 40 IHCB Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1)S(C)(=O)=O 22327058 GKXMMMDLSYELMJ-AZUAARDMSA-N 443.613 3.875 10 40 IHCB COc1ccc(N2CCN([C@H](c3ccc(C)cc3)c3sc4ncnn4c3O)CC2)cc1 22609314 ZBKCCFZKCRJEDD-HXUWFJFHSA-N 435.553 3.725 10 40 IHCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 59514356 ZGLDZVKNQUYGBF-MHWRWJLKSA-N 430.463 3.702 10 40 IHCB O=C1/C(=C/c2ccccc2F)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1CCO 9215859 JRAUWYNRIDEGMG-VVZNPABPSA-N 436.574 3.571 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)cc1Cl 9262696 XFNCIZAGPYQPFS-YRNVUSSQSA-N 425.691 3.835 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC 16688304 UOCUEXFHPHRGBH-VGOFMYFVSA-N 434.876 3.718 10 40 IHCB COc1c(Br)cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1Br 58866104 MGMFAWSGEVROER-UHFFFAOYSA-N 446.091 3.974 10 40 IHCB O=C(O)c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3[C@@H]3C=CC[C@@H]32)c1 103020369 GQICLGHDBAZQOY-LQWHRVPQSA-N 448.504 3.802 10 40 IHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2OC)SC1=S 256055601 MSEZNFJJIKQOMY-FJSNCCPHSA-N 442.562 3.983 10 40 IHCB COc1ccc(CN2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)SC2=S)cc1 409145560 RDTCYXUVJKNRRJ-GRSHGNNSSA-N 437.546 3.537 10 40 IHCB CCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2418219 XANHYRATBQVAMF-VBKFSLOCSA-N 439.518 3.717 10 40 IHCB COC(=O)c1cc2ccccc2c(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1O 12990136 PUHHSSVKDSKLIM-MRXNPFEDSA-N 445.562 3.583 10 40 IHCB COc1cccc(N2CC(=O)N(c3cccc(OC)c3)[C@H](c3ccc(N(C)C)cc3)C2=O)c1 15413426 DMHUJPLBOSXCPU-RUZDIDTESA-N 445.519 3.891 10 40 IHCB CCN1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)CC1 19842503 BTLAEFIZUMRATP-JWGURIENSA-N 437.565 3.882 10 40 IHCB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C 223715075 BSIZJOLDWXGCOJ-DHIUTWEWSA-N 449.580 3.810 10 40 IHCB COC(=O)COc1c(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cccc1OC 408526332 AWCHIMGQWKCFTM-SXGWCWSVSA-N 433.482 3.792 10 40 IHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 408900728 UFQNABCYKJNWIT-YBEGLDIGSA-N 444.871 3.900 10 40 IHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O 409101643 QAFKAOVUMFMREG-WQRHYEAKSA-N 425.460 3.536 10 40 IHCB CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 16691691 YVILGMXFOTWHFY-DHDCSXOGSA-N 441.396 3.605 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)c1 33667299 IFZXPBFGAGUERQ-YBEGLDIGSA-N 436.811 3.897 10 40 IHCB NS(=O)(=O)c1ccc(/N=N\c2nc3c(SCc4ccc(F)cc4)ncnc3[nH]2)cc1 104055100 KKPOEHJGLCTCBF-QPLCGJKRSA-N 443.489 3.847 10 40 IHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 409251709 VUSQQLTZOSENGC-MHWRWJLKSA-N 438.237 3.771 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N(C)Cc3ccccc3)C2=O)cc1OC 8819427 GXYGUXNWOADHHD-UNOMPAQXSA-N 442.562 3.564 10 40 IHCB CC1=NN(c2ccccc2)C(=O)/C1=C\NC(=O)Nc1ccccc1I 16160662 QIZWTAJLEVKBTF-KAMYIIQDSA-N 446.248 3.719 10 40 IHCB Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@H]2c1ccccc1O 104280033 UBSLMWUFRAWLHW-HSZRJFAPSA-N 429.524 3.540 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 408870403 VHAFBYXYUMWYNH-UHFFFAOYSA-N 444.940 3.849 10 40 IHCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O 409173074 IPDOSYCZJRWDLB-CXUHLZMHSA-N 435.265 3.611 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3)C2=O)cc1Cl 9076265 GHRWDVWXSMXUQV-PDGQHHTCSA-N 435.867 3.865 10 40 IHCB COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)cc2)cc1 12416844 OUGCIZVEESVWCN-YXPLXFIXSA-N 436.493 3.792 10 40 IHCB Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)c1 218231094 YRVAMXNQIMBNAX-UXHICEINSA-N 443.613 3.875 10 40 IHCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 260769385 LUSOUDBCKAUADL-HBGVWJBISA-N 439.541 3.806 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)cc1 408740056 CTIWAXMGWAMVOU-XNTDXEJSSA-N 444.354 3.655 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1OC 8828385 VRBULBWHUITMMC-MFOYZWKCSA-N 431.491 3.904 10 40 IHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=O)cc1 9323468 OYXDLJPYIVTVIV-OEAKJJBVSA-N 442.519 3.993 10 40 IHCB Cc1nc([C@H]2CCCN(Cc3ccc(N4CCCCC4)cc3F)C2)ncc1C(=O)N(C)C 19763654 KTIQHBQPONKLDN-FQEVSTJZSA-N 439.579 3.996 10 40 IHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)cc1 41078519 AGBIQTWJQSVPFE-GKJKXNJGSA-N 433.464 3.912 10 40 IHCB O=C1/C(=C/NCCCn2ccnc2)C(c2ccccc2)=NN1c1nc2ccccc2s1 100699362 MWDUJURVFGJHOC-OBGWFSINSA-N 428.521 3.808 10 40 IHCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 409230248 XSHWNMLBHDWJMX-FYJGNVAPSA-N 430.464 3.554 10 40 IHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O 981155 PBHGTRGHOYQHND-AHEVQNHNSA-N 427.320 3.503 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(CCO)c3ccccc3)C2=O)cc1 1179771 FHTYIXDWEPAZQU-XDJHFCHBSA-N 426.563 3.612 10 40 IHCB COc1cccc(-n2c(C)cc(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c2C)c1 12088784 SKHMZVCMSJGZAA-UHFFFAOYSA-N 441.535 3.806 10 40 IHCB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 13647105 LMLJLNAYBHBUHF-UMWKZLPKSA-N 446.598 3.533 10 40 IHCB Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 22268386 PCRWGFCNHNKHSK-UHFFFAOYSA-N 441.578 3.774 10 40 IHCB CCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 26532116 UYFCZDSUPGOAJS-ZAKVZCPOSA-N 442.610 3.788 10 40 IHCB CN1CCN(c2ccc(CNC(=O)CCCN3C(=O)c4cccc5cccc3c45)cc2)CC1 219475766 PKJQKMWQVYCHER-UHFFFAOYSA-N 442.563 3.648 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 225470939 FOIUEKOCXYFPRB-UHFFFAOYSA-N 435.565 3.535 10 40 IHCB CSCC[C@H](NS(=O)(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)O 256013117 YGFUZBPDTRWEQW-SFHVURJKSA-N 436.559 3.653 10 40 IHCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 6491940 OGCWBOKRFBYXTR-OVCLIPMQSA-N 435.841 3.898 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1cccs1 13899480 ICVSNZOVFKOQLG-DHDCSXOGSA-N 449.531 3.652 10 40 IHCB COc1ccc2c(c1)CCCN2CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 21333403 JGGCKYXCCHSZSA-IBGZPJMESA-N 433.430 3.754 10 40 IHCB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)n1 69535300 TUTWIHLHMXURCW-NRFANRHFSA-N 448.523 3.918 10 40 IHCB Cc1ccccc1Cc1cccc([C@@H]2CN(Cc3ccc(N(C)CCO)cc3)CCO2)n1 257294490 QUKGGBQJEVKTKX-MHZLTWQESA-N 431.580 3.983 10 40 IHCB CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)C(=O)N(CC)C1=S 682034 AWGOKPJGBZBJJL-UHFFFAOYSA-N 438.549 3.962 10 40 IHCB Cc1cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccc(F)cc1 3338857 SGDXFRUFGDSAAJ-UHFFFAOYSA-N 444.484 3.644 10 40 IHCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)NC1=S 9263205 DHUBXWWPKWETJD-ATVHPVEESA-N 437.908 3.976 10 40 IHCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 10129204 JIKSKSQMYBLDJX-RUZDIDTESA-N 442.563 3.920 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 408532332 MIXUOBWNWWRQDT-JLHYYAGUSA-N 447.278 3.844 10 40 IHCB CCCN(CCC)c1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1 32099474 YRHDYTIBPXVLNB-JWGURIENSA-N 440.569 3.767 10 40 IHCB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(/N=N\c4ccc(C)cc4)cc3)C(=O)[C@@H]12 409288148 DFFXCRSDAKDQRZ-VXCYBAHASA-N 431.448 3.787 10 40 IHCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCN(C)CC3)C2=O)cc1 8819795 GNCXZMCSQMUKEH-MNDPQUGUSA-N 431.627 3.531 10 40 IHCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 14269033 RXIKNJVOCNEGFS-UHFFFAOYSA-N 442.541 3.564 10 40 IHCB COc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 41082702 IZSLBHJQPQSSBT-PAHLCNGNSA-N 433.464 3.993 10 40 IHCB N#Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107921937 DPPJVXSEVCKLRQ-BKUYFWCQSA-N 440.415 3.507 10 40 IHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)NC1=S 409241041 MZZCLVANALHQMI-SFQUDFHCSA-N 432.457 3.785 10 40 IHCB CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccccc3Cl)c3ccccc23)C1=O 2315587 BIKMUFZGQYTXEI-GHRIWEEISA-N 437.883 3.855 10 40 IHCB COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1Cn1ccnc1C 19288198 TXZJTKHYIMBSKX-QPPBQGQZSA-N 440.494 3.636 10 40 IHCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(Cl)nc2ccccn12 95953073 NMEIWRMFJOIKJR-UHFFFAOYSA-N 438.837 3.773 10 40 IHCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 408692293 JFHRAEOEZFISPB-XDHOZWIPSA-N 435.480 3.505 10 40 IHCB CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc(Cl)ccc21 408713403 XBEUSRVXRURJNQ-UHFFFAOYSA-N 425.916 3.646 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 1181239 AZYMMOXNZWJTJX-SFQUDFHCSA-N 426.519 3.923 10 40 IHCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1cccc(C(=O)O)c1 16160818 CIGCNXBEBMGXJY-YBEGLDIGSA-N 447.232 3.708 10 40 IHCB Cc1nn(-c2ccccc2)c(O)c1/C=C1/C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 16249358 GWHCVKYXXPULJD-GDNBJRDFSA-N 429.263 3.655 10 40 IHCB C/C=C/c1cc(/C=C2/C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc(OC)c1O 59565401 OWLQEOQFOSTYSW-NDPDXPSBSA-N 438.505 3.664 10 40 IHCB CCCCN1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C1=O 101997202 OHZDMHXAYPJNCU-CEXWTWQISA-N 445.313 3.801 10 40 IHCB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c1 409249287 KAZKBTKSIGKFGY-CPNJWEJPSA-N 430.533 3.937 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2307212 NFNMSUBXDRPCNB-GDNBJRDFSA-N 448.547 3.772 10 40 IHCB CCN(CC)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 6144495 WHMDNAXBUHFIIE-OPYAIIAOSA-N 435.446 3.637 10 40 IHCB CN1CCCc2cc([C@@H](CNC(=O)COc3ccccc3F)N3CCCCC3)ccc21 9137974 PTKAQRRDGQHDHP-HSZRJFAPSA-N 425.548 3.930 10 40 IHCB Cc1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 12112410 UQBAQYXQMSSHNO-FMQUCBEESA-N 440.319 3.899 10 40 IHCB O=C(O)[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S 13573302 LDCHOQJWUHDAGV-NWCRWOLESA-N 436.555 3.507 10 40 IHCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 14010070 MYVHULKDZGGZQS-JCMHNJIXSA-N 438.524 3.812 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OC 16688303 SKAMCHCFZRVBOP-OQLLNIDSSA-N 446.912 3.587 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)C2=O)cc1 408785678 AQKFMTGTZAHPTN-GZTJUZNOSA-N 433.376 3.535 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408870695 WLFWKDNJAKYVFN-CXUHLZMHSA-N 429.270 3.741 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409104084 IPOQPIWAXDWYLD-KGENOOAVSA-N 448.523 3.525 10 40 IHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(Oc3ccccc3F)nc12 2407190 GVSOMIMGIOPZDJ-GDNBJRDFSA-N 427.482 3.765 10 40 IHCB COc1ccc(CNC(=O)c2c(N)n(-c3ccc(N)cc3)c3nc4ccccc4nc23)cc1 6150563 JKPSJVDHSMHTSR-UHFFFAOYSA-N 438.491 3.677 10 40 IHCB O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1CCS(=O)(=O)O 15230942 WLBRBYWFYFMMAO-ZROIWOOFSA-N 429.928 3.689 10 40 IHCB Cc1cc(C)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c(C)c1 22395364 RBPMVHUZHQJLQM-UHFFFAOYSA-N 443.613 3.685 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 27530526 VGROCDQUJFMGGA-LDADJPATSA-N 428.535 3.934 10 40 IHCB O=C1/C(=C\c2ccc(SC(F)(F)F)cc2)SC(=S)N1CCN1CCOCC1 96935910 DAQLWJVDYFRIRF-SDNWHVSQSA-N 434.530 3.832 10 40 IHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(F)cc1 205872245 YQHUNZOMXQTYJI-XDHOZWIPSA-N 427.501 3.892 10 40 IHCB CNc1nc([C@@H]2CCCN2Cc2ccc(N3CCCC3)c(C)c2)nc2c1CCN(C(C)=O)C2 19707456 NYFSKGILRJIVNC-DEOSSOPVSA-N 448.615 3.669 10 40 IHCB COc1ccc(SCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 21116805 FDCVESLLAZOFDF-UHFFFAOYSA-N 430.551 3.725 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 32453378 RRKSNRSPUXFNDR-UHFFFAOYSA-N 443.594 3.816 10 40 IHCB Cc1cc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)ccc1Br 59109601 WHMPBAVXSXBGRP-UHFFFAOYSA-N 430.302 3.599 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(C(=O)O)c1 8819242 OFQCANPUZHUTIP-WJDWOHSUSA-N 430.482 3.754 10 40 IHCB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 8853421 CQLKMZCZYWHROC-YBEGLDIGSA-N 426.787 3.899 10 40 IHCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 9428002 MUQKEKLFCIYMFW-JVVDOCDTSA-N 438.480 3.892 10 40 IHCB Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1 14847405 UFMZADMFOWFMHE-UHFFFAOYSA-N 430.552 3.927 10 40 IHCB COc1ccc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1Br 41076778 JJMMZIVMSJKRHH-MJJYTFKKSA-N 431.271 3.718 10 40 IHCB COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc4c(c3)CCN4C(C)=O)C(C)C)C2)cc1 257283347 OXXCSAAHYWWSEM-LGPLSSKUSA-N 437.584 3.928 10 40 IHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c1OC(C)C 409014474 PMFNGMXNNQXDTL-MHWRWJLKSA-N 430.913 3.967 10 40 IHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 409049897 RGIQOQRGFIXFJO-DHZHZOJOSA-N 427.329 3.618 10 40 IHCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1C 9138449 PTPLYYXMOWASLM-RUZDIDTESA-N 448.611 3.968 10 40 IHCB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 12848063 MPQJHKUIXUWMPO-RUZDIDTESA-N 444.487 3.776 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 35202365 SRDVKMYRWSPPLH-WQRHYEAKSA-N 428.535 3.852 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1 408806761 BRRBOTFDRIQMAZ-RCCKNPSSSA-N 428.444 3.941 10 40 IHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(OC)c2O[C@@H](C)CC)C1=O 409238179 LYPSCVJFJOMTTJ-JEFCNZTNSA-N 438.480 3.938 10 40 IHCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12 9356322 LXOHTBZNQSLEBT-JLPGSUDCSA-N 446.507 3.549 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 16769981 VWEYSUNIRJLFME-DJKKODMXSA-N 442.606 3.981 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\[C@@H]3C(=O)N(c4ccccc4)N=C3C)C(O)=NC2=S)cc1 18010659 ATJHOEXCCSPXCB-UZNZLNSGSA-N 448.504 3.639 10 40 IHCB O=C1N[C@H](c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)Oc2ccccc21 59488802 ZSTFBKBYODZRES-DEOSSOPVSA-N 430.464 3.742 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 408952635 MAQHBZFJSTZACS-CJLVFECKSA-N 444.560 3.937 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC 409331460 NDSWQRGELFMSQR-WQLSENKSSA-N 449.335 3.920 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1OC 9363765 TZUBTEVGLAHUSX-AQTBWJFISA-N 428.535 3.934 10 40 IHCB CN(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4163974 KHBYJDFCLQVQFD-QFIPXVFZSA-N 428.598 3.880 10 40 IHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 32193778 ITCHEYBSKABSEZ-QGOAFFKASA-N 440.297 3.716 10 40 IHCB CCOc1cc(OCC)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 107684136 AGKCLWFADZGGKI-GDNBJRDFSA-N 431.286 3.708 10 40 IHCB CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 225389050 VLDDXRIQHYIPAE-UHFFFAOYSA-N 443.613 3.883 10 40 IHCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 409195264 NZZQTOOKVZTBFK-UNOMPAQXSA-N 436.468 3.715 10 40 IHCB CCOC(=O)c1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc2c1CC[C@@H](C)C2 938426 PLCSJGVUVKLDSV-WBMJQRKESA-N 427.526 3.811 10 40 IHCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)cc1 101130346 TYOWENJNRJXUCB-PWRODBHTSA-N 441.414 3.521 10 40 IHCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 208447852 BMCKPHFLTPYMPK-VCHYOVAHSA-N 445.475 3.713 10 40 IHCB COc1ccc2c3c(n(C[C@@H](O)c4cccc(O)c4)c(=O)c2c1OC)-c1ccccc1C3=O 604406400 XZXOLYCKYPVZRS-LJQANCHMSA-N 443.455 3.669 10 40 IHCB biogenic CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504110 BZDDTNHONUOYLI-JOCHJYFZSA-N 438.551 3.878 10 40 IHCB COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccccc4C)ncn3)CC2)cc1 49006779 CTKFZQMXIKXQHP-UHFFFAOYSA-N 449.580 3.851 10 40 IHCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)cc1 57671614 GDONDXBFZCUYRH-OAQYLSRUSA-N 426.590 3.701 10 40 IHCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 9260000 SSRBXFCSSGVZLR-GIDUJCDVSA-N 428.217 3.736 10 40 IHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 408933533 AQDTYUCHPIJBQB-BKUYFWCQSA-N 432.407 3.777 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1 409249361 UEEUNZAQZCBBDR-WOJGMQOQSA-N 436.924 3.974 10 40 IHCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ncc[nH]4)c4ccccc34)[C@@H]21 1565524598 LRSANEKUXRFYFH-HSZRJFAPSA-N 440.507 3.540 10 40 IHCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 408740481 GJYUCKYYQOXRHW-PDGQHHTCSA-N 433.445 3.995 10 40 IHCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 41085193 WHEZXAHHZJBBNL-YHBINRDGSA-N 448.552 3.775 10 40 IHCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223275325 FXJNIVPKKKKRMN-DHIUTWEWSA-N 434.613 3.727 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC(C)C 408817540 VUFQSSGENIWIRF-CXUHLZMHSA-N 444.871 3.898 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(OC)ccc1OC 8872610 SWPFEUBEWWHGFZ-PDGQHHTCSA-N 439.464 3.598 10 40 IHCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 9428520 HXXGAFNWYYGVNV-ATVHPVEESA-N 427.888 3.861 10 40 IHCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 16292824 YGRSVIBUWOLDRY-FDFHNCONSA-N 437.451 3.690 10 40 IHCB biogenic Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccc2c(c1)OCCO2 2639956 ZXOXIAYCXRZJLE-UHFFFAOYSA-N 434.279 3.612 10 40 IHCB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O 3342390 CGOJTLQHODCMLN-FQEVSTJZSA-N 425.481 3.639 10 40 IHCB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 19818228 HEDGLHKHMYAIGR-LEWJYISDSA-N 437.496 3.609 10 40 IHCB O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1C[C@H]1CCCO1 409093324 YWIMFEXUOOJLGN-UVDMMCPBSA-N 428.329 3.558 10 40 IHCB COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 2366679 JAWRNPSQALEAEU-LPYMAVHISA-N 447.466 3.904 10 40 IHCB CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 6350858 QWTGQGINYVJNOO-QGZVFWFLSA-N 427.501 3.845 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)cc1C 8400514 RHYKGLMVOCFBCM-FYJGNVAPSA-N 430.533 3.937 10 40 IHCB Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 10965375 HOZOYTXTFOTLIM-UHFFFAOYSA-N 434.481 3.953 10 40 IHCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408725116 JIRUVODKCINNKR-CHHVJCJISA-N 433.423 3.793 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 408802854 IGODBNCZZWBRNK-DEDYPNTBSA-N 444.443 3.646 10 40 IHCB CCCOc1c(I)cc(/C=C2\SC(=S)NC2=O)cc1OC 13451066 ZARNWJRLSOHYAU-XFFZJAGNSA-N 435.308 3.577 10 40 IHCB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 102025779 DIMFTUHFTPGNFD-MQTICVDDSA-N 449.569 3.893 10 40 IHCB O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)C(=O)N1 409045641 GUNAPCBRWAYFHT-UHFFFAOYSA-N 425.655 3.975 10 40 IHCB CN1C(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N(C)C1=O 2313351 NMGDBJYKEBLVFN-UHFFFAOYSA-N 437.883 3.808 10 40 IHCB CCN1CCN(Cc2c(O)ccc3c(C)c(-c4cc(OC)ccc4OC)c(=O)oc23)CC1 20612261 ZMUWVKDYVFAGKV-UHFFFAOYSA-N 438.524 3.629 10 40 IHCB biogenic Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)c1 22327527 YRVAMXNQIMBNAX-WOJBJXKFSA-N 443.613 3.875 10 40 IHCB COC(=O)c1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN(c3ccccc3)CC2)cc1 25702019 SFBPFLBMORZMIT-RUZDIDTESA-N 446.503 3.819 10 40 IHCB CN1CCc2cc([C@@H](CNC(=O)C3(c4cccs4)CCCC3)N3CCOCC3)ccc21 38671980 RLUKMGUOHGDHHZ-JOCHJYFZSA-N 439.625 3.742 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2OC)C1=O 409241466 NMVIUAGQLWVOQZ-HMMYKYKNSA-N 433.508 3.914 10 40 IHCB COc1cc(/C=C2\SC(N)=NC2=O)ccc1OCC(=O)Nc1cccc2ccccc12 13150174 RDBHPRFURDBDCP-NDENLUEZSA-N 433.489 3.795 10 40 IHCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 95946929 VHHCLWVFENDIEZ-UHFFFAOYSA-N 442.991 3.518 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1 409044970 DZODLOXSIBLTJD-ZHZULCJRSA-N 442.427 3.630 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)cc1C 409192199 VNEHJOUUEKYZFB-UZUMKDMXSA-N 447.516 3.735 10 40 IHCB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(/N=N\c4ccc(C)cc4)cc3)C(=O)[C@H]12 409288146 DFFXCRSDAKDQRZ-GVGHZDOWSA-N 431.448 3.787 10 40 IHCB C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N1c2cccc3cccc(c23)S1(=O)=O 10113615 IFBFLSAHJPFDTN-KRWDZBQOSA-N 435.549 3.654 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)C1 22335694 RQFGJENRCZVHPB-QZTJIDSGSA-N 447.576 3.705 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)C1 22363405 GQLDGAPIVRVBBJ-ZWKOTPCHSA-N 447.576 3.705 10 40 IHCB O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1CN1CCCCC1 59422891 DNDQUGPVEUESKA-GXDHUFHOSA-N 444.363 3.936 10 40 IHCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 225809341 RCROYJOMIGMDNG-UHFFFAOYSA-N 426.904 3.680 10 40 IHCB CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1O 409142936 LYIRRKJKYNHROX-GDNBJRDFSA-N 447.310 3.954 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC 409235079 YNTYUGAPRKJHID-YRNVUSSQSA-N 437.304 3.842 10 40 IHCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)SC1=S 409339132 FEFCYVDXJWKWHF-LDADJPATSA-N 428.535 3.934 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc2oc(=O)ccc2c1 8995285 SUMDEIZSAVVTMH-YVLHZVERSA-N 440.477 3.772 10 40 IHCB O=C1N=C(S)N(c2cccc(Cl)c2)C(=O)/C1=C/NN1CCCC[C@H]1c1cccnc1 9310738 OQSBPJYHHGRUTH-KJCUYJGMSA-N 441.944 3.510 10 40 IHCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cn(C)c3ccccc23)C1=O 8780904 UMQFWOVJBXSSJV-MHWRWJLKSA-N 438.281 3.916 10 40 IHCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\NN1C(=O)c2cccc3cc(O)cc(c23)C1=O 16284811 XOCPRPCIIMXINP-NDENLUEZSA-N 440.459 3.569 10 40 IHCB COc1ccc2[nH]cc(/C=C3/C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)N=C3O)c2c1 13571287 YHYRFZAOZSIUKS-WOJGMQOQSA-N 449.463 3.739 10 40 IHCB biogenic Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3I)C2=O)c1 408549980 CJVIYDPFDLDWPE-XNTDXEJSSA-N 446.244 3.574 10 40 IHCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCC(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 408860436 VMRQSBRQOKLLJD-CZSZKKDXSA-N 448.519 3.757 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C(=O)NC2=S)cc1 408954228 RZQVOABQKQBUFG-RCCKNPSSSA-N 431.517 3.880 10 40 IHCB COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 409334815 WIGOQLMMBRGTGP-WOJGMQOQSA-N 444.534 3.552 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4nc5ccccc5n4c3=O)c2C)cc1 9263366 ZOAJHSJHLLHMJB-FYJGNVAPSA-N 429.501 3.651 10 40 IHCB COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 11121348 ALZRTSJQXIGCEH-UHFFFAOYSA-N 443.960 3.575 10 40 IHCB FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1csc(-c2ncccn2)n1 62582280 OSIVFZKPZQCZQM-UHFFFAOYSA-N 435.475 3.745 10 40 IHCB CC1=NC(=S)N(NC(=S)Nc2ccccc2)C(=O)[C@H]1/N=N\c1ccc([N+](=O)[O-])cc1 68602402 DMDXKVWVNFTMHX-WNIYRAMRSA-N 441.498 3.537 10 40 IHCB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c1O 102729699 TWGRPKZELCYRLM-MQSCRBSSSA-N 430.460 3.760 10 40 IHCB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc5c(c4)OCO5)ccc32)cc1 223376504 SIXYDZLQBXAGKF-UHFFFAOYSA-N 436.489 3.727 10 40 IHCB COC(=O)COc1c(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cccc1OC 408536240 YVSYVRSDYZEPNA-GZTJUZNOSA-N 445.518 3.661 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 408816924 SPMYEDKCZCZXCK-UHFFFAOYSA-N 435.263 3.721 10 40 IHCB COCCN1C(=O)/C(=C/c2cccn2-c2cccc(C)c2)C(=O)N(c2ccccc2)C1=O 409014628 XRRLVSGWSCFJDW-XLNRJJMWSA-N 429.476 3.811 10 40 IHCB O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1Cc1ccco1 9130956 AYGDLQYWDIKNCV-QFIPXVFZSA-N 434.452 3.791 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc2nonc12 13573720 IFNUCLZKTITMQP-WJDWOHSUSA-N 442.497 3.982 10 40 IHCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 27530382 GSJZTTXJKPJHSM-XBUHWIKASA-N 425.528 3.557 10 40 IHCB O=S(=O)(c1cccs1)N1CCN(Cc2cc3c(cc2O)[nH]c2ccccc23)CC1 49581394 QNGMMJWTJXVGDC-UHFFFAOYSA-N 427.551 3.595 10 40 IHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409015378 RVFGVENFMUBURO-DZBQEORWSA-N 443.481 3.990 10 40 IHCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 409125325 NCUOQPSQJGSODE-ODLFYWEKSA-N 445.610 3.651 10 40 IHCB COCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCCC2 2792948 FNAMSUBVPTVJRK-HZPDHXFCSA-N 435.542 3.816 10 40 IHCB COc1ccc(-n2c(C)cc(CN(CCN3CCOCC3)Cc3cccnc3)c2C)cc1 19567534 VNNXHZPKZNDDDS-UHFFFAOYSA-N 434.584 3.832 10 40 IHCB COc1ccc(N2CCN(Cn3ccc(=O)c4cccc(OC(F)(F)F)c43)CC2)cc1 58438159 XSZLXZBBSYCGNQ-UHFFFAOYSA-N 433.430 3.688 10 40 IHCB CCn1cc(/C=C2/C(=O)N=C(S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 103099082 VKCZNIWYERQBEG-BOPFTXTBSA-N 435.505 3.921 10 40 IHCB COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Cl 408551189 MDSUERCXOVZBEI-FLIBITNWSA-N 440.283 3.885 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NC1=NCCS1 1183227 QOVSDFNEUDPBDA-JLHYYAGUSA-N 425.988 3.540 10 40 IHCB COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)ccc1Cl 16194061 QYOQVLIRLQGMAP-BOPFTXTBSA-N 440.814 3.987 10 40 IHCB COc1ccc(-c2nnc(N/C=C3/C(=O)N(c4cccc(C)c4)C(=O)N=C3O)s2)cc1 100342080 SOAFPPHTSNAKBH-LFIBNONCSA-N 435.465 3.941 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2I)C1=O 408551961 PTKRSNLJQMMFMU-SDNWHVSQSA-N 446.244 3.520 10 40 IHCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)o1 9462703 SVVUJFQFACELKQ-CPNJWEJPSA-N 430.416 3.708 10 40 IHCB CSc1nsc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 9667845 JMYNNLYQFRGSQL-UHFFFAOYSA-N 427.532 3.766 10 40 IHCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccc(F)c2)N2CCc3ccccc32)cc1 16914908 LYOROPBQUWGBGQ-XMMPIXPASA-N 439.556 3.974 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 22326585 HVQIXMGISIXOAV-IBGZPJMESA-N 429.586 3.566 10 40 IHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C 408534766 RBTAWVWSZSBLJF-CYVLTUHYSA-N 444.539 3.504 10 40 IHCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C1=O)OCO2 409071082 NDRDHMISNUEBLA-IZZDOVSWSA-N 449.246 3.787 10 40 IHCB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(CC)C1=O 409339021 DIJQHJMQAIGSBB-JYRVWZFOSA-N 430.345 3.612 10 40 IHCB COc1ccc(N2CCN(C(=O)Cn3c(-c4ccc(Cl)cc4)n[nH]c3=S)CC2)cc1 12606956 FQWWNJPIGBFYGI-UHFFFAOYSA-N 443.960 3.618 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cnc4cc(F)ccc4c3=O)c2C)cc1 16543872 IUBZEDHCOKXGGG-UHFFFAOYSA-N 433.439 3.613 10 40 IHCB Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101099844 GGLJFYXFKKPCRV-YPAWHYETSA-N 437.451 3.690 10 40 IHCB Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 107884863 HHOWSMJHEAFGLC-ZHZULCJRSA-N 443.415 3.584 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 260453223 GNVDLYQSKDTHIG-ZWKOTPCHSA-N 429.586 3.810 10 40 IHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC 408982897 IUDUJHSEIQFAHC-MLPAPPSSSA-N 435.263 3.985 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2cccc3[nH]ncc23)C1 585262007 VHOXLLQBHSHQGK-IBGZPJMESA-N 448.567 3.893 10 40 IHCB CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(O)=NC1=S 658519 QFOSNJZLETWKAF-YRNVUSSQSA-N 436.243 3.714 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C1=O 3363462 PCSUIKLJCSABCI-DEDYPNTBSA-N 443.459 3.767 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224773174 DDPMSOUMWLJGTE-IBGZPJMESA-N 431.602 3.621 10 40 IHCB CN(C)c1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 2361955 QRSFYZPLTZWYDN-JYNAJPCDSA-N 432.973 3.635 10 40 IHCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)c(OC)c3)=NN12 10214239 XZTSNZKBODVVAF-IBGZPJMESA-N 437.496 3.893 10 40 IHCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 12603375 WVURENJCOKEWAD-SXGWCWSVSA-N 445.474 3.506 10 40 IHCB CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 34909863 MYYHCNVLYOWRAP-ZENNRRHLSA-N 449.290 3.785 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Br 408809474 OBVZWIHBMDIPTJ-NTEUORMPSA-N 429.270 3.741 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 9215978 OYSYZDNBPKWCON-BOPFTXTBSA-N 442.518 3.711 10 40 IHCB O=C(O)[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S 9302908 LDCHOQJWUHDAGV-WSTOHFRZSA-N 436.555 3.507 10 40 IHCB O=C1N=C(O)/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16428001 CEQNDDDQWIVFGV-GHXNOFRVSA-N 432.186 3.570 10 40 IHCB CNc1cc(CN(C)Cc2ccc(N3CCCC3)c(F)c2)nc([C@H]2CCCN2C(C)=O)n1 19759929 SVBVRZHJMUTJTI-JOCHJYFZSA-N 440.567 3.573 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc([N+](=O)[O-])s3)c2C)cc1 3295951 ZVUJUJSXHIJXMG-UHFFFAOYSA-N 442.449 3.890 10 40 IHCB CCOC(=O)c1ccccc1NC(=O)C[C@@H]1SC(=S)N(Cc2ccccc2)C1=O 9024648 AGWWTYBVOFMRRY-KRWDZBQOSA-N 428.535 3.621 10 40 IHCB O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9283702 VDQJDXDCIVKWCC-DHZHZOJOSA-N 429.403 3.796 10 40 IHCB Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 9883844 DDCIBDZCRQCXEK-UHFFFAOYSA-N 435.524 3.979 10 40 IHCB COc1ccc(N2CCN(C(=O)CN(Cc3c(F)cccc3Cl)C3CC3)CC2)cc1 27370369 ALONTSXUDCMIDM-UHFFFAOYSA-N 431.939 3.801 10 40 IHCB CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41108138 VXIMLKOYASBCRO-RKPSFQJFSA-N 425.426 3.893 10 40 IHCB COc1ccc(Oc2coc3c(CN4CCC[C@@H](C(=O)O)C4)c(O)ccc3c2=O)cc1 94993347 SXFAOFKDYGFXKP-CQSZACIVSA-N 425.437 3.596 10 40 IHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223695438 YIYYHSIZDCECNF-XZOQPEGZSA-N 449.580 3.728 10 40 IHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 1206498 BLPFROWCILVEIZ-DHDCSXOGSA-N 426.295 3.762 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 1237655 PHPAUHDGHBKMGO-AQTBWJFISA-N 428.535 3.934 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Br 9260279 XYIHHHJUQHGYRY-RIYZIHGNSA-N 449.301 3.818 10 40 IHCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)o2)cc1 13590950 AIJVTCJGTQKZGB-LICLKQGHSA-N 446.531 3.588 10 40 IHCB NS(=O)(=O)c1ccc(/N=N/c2nc3c(SCc4ccc(F)cc4)ncnc3[nH]2)cc1 18008880 KKPOEHJGLCTCBF-OCEACIFDSA-N 443.489 3.847 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)c1 408756821 JXAZOVYNXYAKEZ-FYJGNVAPSA-N 443.507 3.993 10 40 IHCB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc6c(c5)OCO6)CC4)[C@H]3C=C12 61991168 OAWPLEHDQOICEY-HQIZDOKXSA-N 438.568 3.852 10 40 IHCB biogenic CSc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3occ(C)c3C)cc2)c(O)n1 104090687 FHUOFRNKDSACOY-DQRAZIAOSA-N 434.503 3.912 10 40 IHCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 409161655 OJAAMNWZBKZAMR-WQRHYEAKSA-N 440.477 3.612 10 40 IHCB COC(=O)C[C@@H](c1ccncc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222353 RPQTXTAZFYLFQO-HNNXBMFYSA-N 433.416 3.667 10 40 IHCB biogenic CN(C)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 97743289 PFRSABFPMWBXNL-SGNDLWITSA-N 427.504 3.799 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257299759 RRMLUBSKQXLELY-FQEVSTJZSA-N 448.567 3.665 10 40 IHCB COCCN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)SC1=S 409126791 HSUTWVSHHFRPCV-UNOMPAQXSA-N 443.594 3.548 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 409232504 IUVFNSVURPLUFU-XSFVSMFZSA-N 435.549 3.825 10 40 IHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 409233045 CZUBVENDJPZQJV-NTEUORMPSA-N 430.913 3.887 10 40 IHCB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 19644506 MNSFLVZTLZRKJV-UHFFFAOYSA-N 446.484 3.606 10 40 IHCB N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 41084914 MNFRRMMZXLFWLV-WSYITQDSSA-N 436.453 3.527 10 40 IHCB CN(C)c1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2ccccn2)cc1 77199902 VHNGSHCIKSMTTL-UHFFFAOYSA-N 432.915 3.979 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 409230654 DXYFWUMZYMKMEV-HYARGMPZSA-N 429.476 3.974 10 40 IHCB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 9416490 CVTIGSCAXDQSIC-QGZVFWFLSA-N 431.949 3.888 10 40 IHCB CN(C)c1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)cc1 19171797 GMHYZXHTYPNJHQ-VXNXHJTFSA-N 432.568 3.500 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)ccc1OC(C)=O 32099623 ZVCIEVDSZVFHHF-DHDCSXOGSA-N 448.353 3.667 10 40 IHCB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C1=O 103220057 XMNGPNWSTNZINH-SILNSSARSA-N 448.523 3.647 10 40 IHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409024695 UMKFPBLZRFRUOV-VGOFMYFVSA-N 434.876 3.718 10 40 IHCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br 409389447 BBMWMGZKVVAJEF-JXCQQFQQSA-N 444.285 3.688 10 40 IHCB O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 1894837 VMCHTMUMBIONGD-VKAVYKQESA-N 432.592 3.755 10 40 IHCB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 2367484 VQKGDRQGJUMXII-LDADJPATSA-N 433.464 3.939 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(O)cc1C(=O)O 8996073 ZIFBHXUMSOWOIT-VIZOYTHASA-N 448.909 3.584 10 40 IHCB Cc1cc(C)n2c(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)nnc2n1 9789278 VUSRNCYLJFIJHP-UHFFFAOYSA-N 435.509 3.852 10 40 IHCB COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(C)C1=O 13895067 UTOBCGJAZITVOH-LDADJPATSA-N 446.506 3.892 10 40 IHCB CCOC(=O)Cn1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c2ccccc21 16682911 MMLXQRJLDQQNAL-NDENLUEZSA-N 431.448 3.709 10 40 IHCB CCCOc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)OC)cc1OCC 408790675 XPQOPTJKPQXGMH-ZJYZBMPFSA-N 429.513 3.726 10 40 IHCB Cc1cc(C(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1 2662176 NVZPWGIZQNWERP-UHFFFAOYSA-N 444.487 3.896 10 40 IHCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccccc1[N+](=O)[O-] 11859683 QBZYHHVZZKLHLC-YIERNNEGSA-N 425.491 3.991 10 40 IHCB CCN1C(=O)C(=CNc2ccccc2C(=O)Nc2ccc(C)cc2)C(=O)N(CC)C1=S 13131725 WARVMIMOUMBDSB-UHFFFAOYSA-N 436.537 3.539 10 40 IHCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1C(C)C 409190744 QJAUDSSQSWUIAE-WOJGMQOQSA-N 438.505 3.657 10 40 IHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC(F)F 409360805 PZXLXGDXPRGWJG-JYRVWZFOSA-N 442.490 3.904 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)COc3ccccc3F)N3CCCCC3)ccc21 9137977 PTKAQRRDGQHDHP-QHCPKHFHSA-N 425.548 3.930 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 9302831 PXIJCVJOKKLMMU-CHHVJCJISA-N 448.909 3.584 10 40 IHCB Cn1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnc1-c1ccco1 13135068 LCXBVRZXJLHEKF-UHFFFAOYSA-N 444.472 3.581 10 40 IHCB COc1cc(Br)cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c1O 13913953 RRUBFPDTHGFLNW-OVCLIPMQSA-N 431.242 3.668 10 40 IHCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)o2)cc1 96234408 GYBZDJLGGLXFGX-XMHGGMMESA-N 436.464 3.918 10 40 IHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N(C)C)cc1 223619405 SEPVHWADLXFPTF-BJKOFHAPSA-N 449.624 3.910 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408809909 SQSMCGHWTVQMLN-UHFFFAOYSA-N 435.263 3.721 10 40 IHCB Cc1c(C)c2cc(Cl)c(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2oc1=O 524730519 LNTKCLKRFQQGDY-CABCVRRESA-N 426.900 3.550 10 40 IHCB biogenic O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 9310452 NENNALKWIMOBFG-CPNJWEJPSA-N 441.534 3.833 10 40 IHCB CCc1c(C)sc(NC(=S)N2CCN(c3ccc(OC)cc3)CC2)c1C(=O)OC 13828996 OGORACNLGNMBOS-UHFFFAOYSA-N 433.599 3.933 10 40 IHCB Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c1 18249422 XFERLAHJCNXKPM-FKBYEOEOSA-N 443.499 3.818 10 40 IHCB CC(C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 34881931 SZCQMWIZVKCVQT-ZSOIEALJSA-N 446.257 3.606 10 40 IHCB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccccc1 408555352 AMDXTOAWKPMCRK-UHFFFAOYSA-N 440.477 3.867 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1C 977380 KQRYANHTOKMBJF-PXLXIMEGSA-N 444.560 3.991 10 40 IHCB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(N2CCC(O)CC2)c(F)c1 40150317 HCSPOEFXZRGJEB-UHFFFAOYSA-N 431.558 3.831 10 40 IHCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100928905 YGRSVIBUWOLDRY-FSSWDIPSSA-N 437.451 3.690 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(C)cc1 408692340 KGEUUHDMESBVHZ-DEDYPNTBSA-N 434.492 3.987 10 40 IHCB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2)C(=O)N(c2ccccc2)C1=O 409009244 CIWUHLBITRUDCT-XLNRJJMWSA-N 429.476 3.811 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)c1C 409132738 JVNRNFVEKWVCJD-CPNJWEJPSA-N 446.488 3.834 10 40 IHCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccc(O)cc3)c2C)cc1 2645206 QYHMQDSGPSQYRR-UHFFFAOYSA-N 435.509 3.759 10 40 IHCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964196 JDYFVOLWVBDFKT-JOCHJYFZSA-N 440.975 3.533 10 40 IHCB COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(OC)c1OC 27546778 WEENIIBBPNACBN-POCCGPMPSA-N 436.493 3.688 10 40 IHCB N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084423 RRENPNDXIWAGDG-BEYSICKZSA-N 441.900 3.509 10 40 IHCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 223852833 NMAKOPCGQMKJSK-GOSISDBHSA-N 427.570 3.528 10 40 IHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S 409174384 RTKIGSKFGVWXEQ-FOWTUZBSSA-N 449.444 3.695 10 40 IHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)c1 409241099 IOZSBVFUUGWCSQ-CPNJWEJPSA-N 445.500 3.624 10 40 IHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OC 409243780 YMHFZINHTSGKHW-NTEUORMPSA-N 436.411 3.554 10 40 IHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 9259599 RTSUGJRFLFDVKI-LICLKQGHSA-N 427.888 3.867 10 40 IHCB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc6c(c5)OCO6)CC4)[C@H]3C=C12 59408551 OAWPLEHDQOICEY-ZLBZYZRXSA-N 438.568 3.852 10 40 IHCB biogenic CCOc1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCC(=O)N(C)C 96663337 UTCRNAAIFXBJRH-DEDYPNTBSA-N 439.537 3.943 10 40 IHCB COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223618448 ACOSYRWPOSSWIU-GOTSBHOMSA-N 436.581 3.853 10 40 IHCB COCCN(Cc1cc2c(C)cc(=O)oc2c(C)c1O)C[C@@H]1CCCN2CCCC[C@H]12 524730656 RLIITQGLILXDSN-SIKLNZKXSA-N 428.573 3.828 10 40 IHCB biogenic COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c(OC)c1 1298579 YVQCXQLTQGTPIL-SXGWCWSVSA-N 434.926 3.903 10 40 IHCB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 1395055 KTMKHAXIUKCTIT-UHFFFAOYSA-N 445.585 3.531 10 40 IHCB O=[N+]([O-])c1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1 2083251 JBSLUQIKROSKQN-GOSISDBHSA-N 435.323 3.528 10 40 IHCB Cc1cc(C(=O)COC(=O)[C@@H](NC2CCOCC2)C(C)C)c(C)n1-c1cccc(F)c1 72312526 LIIHTPJSYKKAIY-QHCPKHFHSA-N 430.520 3.752 10 40 IHCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 223466516 LBAOPBBCXJCVNR-JOCHJYFZSA-N 431.602 3.702 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC 1300977 UHWANIMJYLQHDX-YBEGLDIGSA-N 434.926 3.903 10 40 IHCB CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 2930402 XRPUJYNOOGTDCT-PTNGSMBKSA-N 429.270 3.823 10 40 IHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCNC(=O)CCC(=O)c1cccs1 12634755 ZCLIBAMHAVTIKW-UHFFFAOYSA-N 441.597 3.866 10 40 IHCB CCOc1cc(/C=C2\SC(Nc3ccc(C)c(Cl)c3)=NC2=O)ccc1OCC(N)=O 13389565 PPZHMEFFZQOIGZ-NVMNQCDNSA-N 445.928 3.994 10 40 IHCB COc1cc(CN2C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C2)ccc1N1CCCC1 19549992 QBFMZIXUILJHMI-HFZDXXHNSA-N 434.584 3.719 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1ccc(O)cc1 33548514 XNVRMNZDQNMSKN-GZTJUZNOSA-N 432.954 3.606 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)c([N+](=O)[O-])cc1OC 34201485 CQWUJAVWBPTPCC-MLPAPPSSSA-N 445.815 3.770 10 40 IHCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 408815733 UIAWMUJYTHICJO-XSFVSMFZSA-N 444.443 3.692 10 40 IHCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OC 409133309 QDERFNBWJRHCJX-GDNBJRDFSA-N 447.310 3.867 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc1OCC 2059244 UTILPFVDJDVGAY-MHWRWJLKSA-N 431.286 3.708 10 40 IHCB O=C(O)c1ccc(N2N=C(c3ccccc3)/C(=C/c3cccc([N+](=O)[O-])c3O)C2=O)cc1 13914373 ITCSKAMWSYOMIK-AQTBWJFISA-N 429.388 3.833 10 40 IHCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)N2CCN(c3ncccn3)CC2)c1C 15701219 HDKXXXRRXWBULY-UHFFFAOYSA-N 425.920 3.509 10 40 IHCB O=C1/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 16741251 LEZRNFLLGOKNKL-VKAVYKQESA-N 440.594 3.829 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)c3c(F)cccc3Cl)N3CCOCC3)ccc21 16838299 JJQIJUGGSVGQAF-NRFANRHFSA-N 431.939 3.665 10 40 IHCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 59138951 MFQCFQCMFQCYRF-QGOAFFKASA-N 447.403 3.872 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 408695457 VKZWZCZDLHMWDP-CPNJWEJPSA-N 435.436 3.578 10 40 IHCB Cc1cc(C)cc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c1 408892561 CNHUHPDPZIWGTM-UHFFFAOYSA-N 445.338 3.559 10 40 IHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1Cc1cccc2ccccc12 9136053 NIPISIWQTTWNII-HYARGMPZSA-N 425.444 3.945 10 40 IHCB O=C(O)CN1C(=O)/C(=C2\SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)c2ccccc21 9312057 LBMOYNUGEMHNIO-NXVVXOECSA-N 448.287 3.877 10 40 IHCB O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10687359 DSTONBHZXWENEI-UHFFFAOYSA-N 447.512 3.796 10 40 IHCB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 14359828 NWMHTDJJPNYPLO-JMIUGGIZSA-N 432.929 3.910 10 40 IHCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 18249840 LLQLPNKAGQWUKU-FDFHNCONSA-N 437.451 3.690 10 40 IHCB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1cccc(C(=O)O)c1 96475861 HCWPJFWOJXXEJQ-YBFXNURJSA-N 433.420 3.888 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Br 408808378 FWBIZWKAHWTKSZ-XNTDXEJSSA-N 445.269 3.523 10 40 IHCB Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1C 408870005 UUDNDZNBLHEJEN-UHFFFAOYSA-N 445.338 3.559 10 40 IHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 409221612 SXLJTIPVPCFEPA-XSFVSMFZSA-N 436.487 3.520 10 40 IHCB CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)NC3=O)cc2OC)cc1 409328535 XDYGHFVOJPLHGB-WOJGMQOQSA-N 428.535 3.764 10 40 IHCB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1 9636310 WQJAHFBZNVMAKC-UHFFFAOYSA-N 425.510 3.834 10 40 IHCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCCC3)ccc21 13008110 NNEVEQRCERSVRI-JOCHJYFZSA-N 440.975 3.614 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15996373 KCGUUCAKPQAXQF-WZYRSQIMSA-N 444.531 3.696 10 40 IHCB CCCCCOc1ccccc1/C=C1/SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 26503257 YIVPXVQEAHDHSK-YSKWHIJTSA-N 425.597 3.644 10 40 IHCB COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)c1 26743706 WQDUAHNRLAPAOD-UNOMPAQXSA-N 431.535 3.993 10 40 IHCB COC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c2ccccc21 2378865 DNTZCGONONQOFK-LICLKQGHSA-N 437.839 3.974 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)Cn3c(C(F)(F)F)ccc(C(N)=O)c3=O)c2C)cc1C 10645593 BPONHVWXLVFRGC-UHFFFAOYSA-N 445.441 3.873 10 40 IHCB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/SC(=S)N(Cc2ccc(Cl)cc2)C1=O 13388806 OPYZAHNVXZAORQ-PFONDFGASA-N 431.882 3.972 10 40 IHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224419318 AZQYUMMKXUOHRH-MRXNPFEDSA-N 437.993 3.657 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)C1 260801737 LPRDYLAZVAGRFC-HOTGVXAUSA-N 445.610 3.876 10 40 IHCB Cc1cc(OCCOc2cccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2)ccc1Cl 9762101 PKQXGMXBJNKNAF-UHFFFAOYSA-N 428.872 3.540 10 40 IHCB COc1ccccc1-n1c(C)cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1C 72336807 LQOBEYVAEZWSLG-UHFFFAOYSA-N 441.535 3.806 10 40 IHCB CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 224488973 XJEKZOSBVYBXGS-UHFFFAOYSA-N 441.528 3.647 10 40 IHCB O=C(O)/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1 408631746 BMTPLHRFSYKURR-LDADJPATSA-N 427.438 3.790 10 40 IHCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 13573983 GWEWAQGVYLCCIX-MUBYSKIDSA-N 439.002 3.695 10 40 IHCB Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@@H](O)COc1ccc(Br)cc1 16050402 QZJLBKZWIMPBMG-QUCCMNQESA-N 436.346 3.576 10 40 IHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)C1 22335697 RQFGJENRCZVHPB-ZWKOTPCHSA-N 447.576 3.705 10 40 IHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC 409174401 SATKWPNFYJOYDZ-UKTHLTGXSA-N 446.912 3.587 10 40 IHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(NC(C)=O)cc3)c2C)cc1 2633710 JMDZLBAQRRXRFN-UHFFFAOYSA-N 448.475 3.879 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1 8899680 LRBNRGADRLYUDX-VWLOTQADSA-N 431.467 3.809 10 40 IHCB O=c1oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc2cc1-c1ccccc1 11865353 VQRWNRTZFBOALJ-XLIONFOSSA-N 440.499 3.947 10 40 IHCB biogenic Cc1ccc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1 12608321 NYABMORUYBHJGM-UHFFFAOYSA-N 433.346 3.632 10 40 IHCB C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 12610060 VYCONRBJFSIFPF-INIZCTEOSA-N 433.346 3.712 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1c(-c2ccccc2)nc2sc(C3CC3)nn12 41074167 MCKOCRRTZFJMPT-GHRIWEEISA-N 427.489 3.797 10 40 IHCB Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 109637207 CYRPKDNUEKZROW-ZHZULCJRSA-N 443.415 3.584 10 40 IHCB CC(C)CN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 1464534 QJEKGKNKZHOAOL-SFQUDFHCSA-N 442.610 3.788 10 40 IHCB Cc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 6142915 WCJGRXPTJBOBLZ-UHFFFAOYSA-N 430.485 3.859 10 40 IHCB CCOC(=O)c1ccccc1NC(=O)C[C@H]1SC(=S)N(CCc2ccccc2)C1=O 9024712 BIIFLWHUZCOROI-GOSISDBHSA-N 442.562 3.664 10 40 IHCB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)nc2n1 13115116 BBZZZNJVXNCXLX-UHFFFAOYSA-N 449.536 3.895 10 40 IHCB CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1C(C)C 408950403 JVURIGJYWXYPFM-VCHYOVAHSA-N 436.464 3.912 10 40 IHCB CCN1CCCc2cc(CN3CCc4c(nc([C@@H]5CCCN5C(C)=O)nc4NC)C3)ccc21 19707330 DHXLOFURPSXLTA-DEOSSOPVSA-N 448.615 3.533 10 40 IHCB N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 41084926 LPOVZKVVYSXKKB-WSYITQDSSA-N 436.453 3.527 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N=C(O)N(c4ccc(C)cc4)C3=O)o2)cc1 2382091 IQAZASMAGKVZAI-CPNJWEJPSA-N 430.416 3.912 10 40 IHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(OC)cc3)C2=O)c1 9108839 ZHTTYPMVXPJXPC-RCCKNPSSSA-N 431.448 3.551 10 40 IHCB Cc1cc(C(=O)COC(=O)c2cccnc2-n2cncn2)c(C)n1-c1ccc2c(c1)CCC2 12564352 FOPIFGBSTBKZEY-UHFFFAOYSA-N 441.491 3.598 10 40 IHCB Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(F)c(Cl)c1 15403254 IFVSSKVOIKYWIR-UHFFFAOYSA-N 427.911 3.682 10 40 IHCB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100417666 XELSQRYVFXHJRX-BHIFYINESA-N 437.451 3.690 10 40 IHCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)cc3)C2=O)c(OC)cc1Cl 408829256 FHKAVMPFUFBHSF-OQLLNIDSSA-N 444.871 3.811 10 40 IHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCC)c(OC)c3)C2=O)cc1 408896631 GSEQDZMJIROILR-RGEXLXHISA-N 438.480 3.939 10 40 IHCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)C(C(=O)OC)=C1C 409062328 RXJIGAZHUYKIHJ-ZHZULCJRSA-N 438.524 3.730 10 40 IHCB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 13670264 UGSCCEHGBAYXRL-UHFFFAOYSA-N 441.597 3.700 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409335899 ZNZBDPKCBLQMHW-WQRHYEAKSA-N 428.535 3.852 10 40 IHCB Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 3504147 LPDLLWDFVQRIQB-UHFFFAOYSA-N 433.493 3.774 10 40 IHCB COc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(OC)cc1Cl 65575593 DMOCOHQYGRAMRF-UHFFFAOYSA-N 433.936 3.888 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408739398 BKRKNNRHXVJLDV-PXLXIMEGSA-N 428.492 3.827 10 40 IHCB COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(OC)c1OC 8721906 DUFYQVXASQKRKB-AIPGXAOUSA-N 428.514 3.912 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1cccc2ccccc12 9311648 AZFCDGDGPVNXHL-XDHOZWIPSA-N 432.501 3.684 10 40 IHCB CCOc1ccccc1/C=C1\SC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NC1=O 9312735 SNRHVIUCVUDNPZ-HKWRFOASSA-N 438.509 3.786 10 40 IHCB CCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 13645628 ORIQDPJFRPLPSA-DPOBWDHUSA-N 442.610 3.706 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)CC1 218287734 ZSNQXHCNDNDSPY-UXHICEINSA-N 443.613 3.955 10 40 IHCB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1NC(C)=O 225488624 VUISJDSTKWPIBF-UHFFFAOYSA-N 433.599 3.836 10 40 IHCB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN(CC)c1ccc2c(c1)OCO2 2429665 MIUWLPFERZWVAD-UHFFFAOYSA-N 427.432 3.677 10 40 IHCB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1=NCCS1 2701087 VAKMWNLQLWRJRO-ACCUITESSA-N 425.626 3.729 10 40 IHCB CCOc1c(C=C2C(=O)NC(=O)NC2=O)cccc1OCc1ccc(Cl)cc1Cl 6600254 JGWZSUSCGKBAJF-UHFFFAOYSA-N 435.263 3.721 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 224501586 OKCQKDPZBFHSNW-UHFFFAOYSA-N 437.565 3.850 10 40 IHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 409103132 AXGPADDEJBATOB-ZHZULCJRSA-N 437.521 3.507 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3OC)C2=O)cc1 409242083 QCNZTYMDCZQLSA-RCCKNPSSSA-N 449.507 3.751 10 40 IHCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(Cl)cc3)N3CCCC3)ccc21 9828389 QUEXDZNNCJJODJ-QFIPXVFZSA-N 440.975 3.614 10 40 IHCB O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1ccccc1 15056205 SDDDHUSXIFRNQO-DHDCSXOGSA-N 449.351 3.955 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C\c3c(C)nn(-c4ccccc4)c3O)C(O)=NC2=S)c1 16693221 XZLOXJUCWVOVEJ-UYRXBGFRSA-N 448.504 3.957 10 40 IHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 112292696 PLUGVGKXQBWPKG-MOSHPQCFSA-N 438.484 3.765 10 40 IHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cc(Cl)ccc1O 223570190 NEDLUXXRJSBOHB-RTWAWAEBSA-N 442.972 3.813 10 40 IHCB Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 1303410 VWRNGGVAYQMGKD-BOPFTXTBSA-N 442.610 3.849 10 40 IHCB CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CCC(=O)O)C1=O 2651206 GEFQNILHWJNNGI-LCYFTJDESA-N 430.345 3.914 10 40 IHCB CC(C)N1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 9374510 YQJSFBFYMPJHAN-VOSWBJTRSA-N 442.610 3.786 10 40 IHCB COc1ccc(N2CCN(C(=O)[C@H]3CCn4c(C(=O)c5ccccc5)ccc43)CC2)cc1 57476768 NNVLBYTWEIVLJJ-QFIPXVFZSA-N 429.520 3.564 10 40 IHCB CCOc1cccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCC)C(=O)NC2=S)c1 409103631 DPDBXNJYKZHMTI-GZTJUZNOSA-N 430.913 3.969 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 9423540 LYWNPVXGAPZUCK-GXRSIYKFSA-N 436.895 3.636 10 40 IHCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1O 13547138 LRYZDNGWVXPQBF-BNDQCTAISA-N 430.345 3.544 10 40 IHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)C1 260466360 RPFKXUZKTUVFRE-OALUTQOASA-N 429.586 3.566 10 40 IHCB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 9125265 ASOGLPJQXSQKQB-UHFFFAOYSA-N 431.444 3.865 10 40 IHCB COc1cc(Br)cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1O 12607080 CICOUDXXUDLIQE-BFUOFWGJSA-N 433.302 3.909 10 40 IHCB CCn1c(=O)c(C2=NNC(=O)/C2=C\c2ccc(Cl)cc2Cl)c(O)c2ccccc21 101512380 NJVDIMSOPHTFHO-ZROIWOOFSA-N 428.275 3.951 10 40 IHCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C(=O)NC2=S)c(C)c1 409190013 UPGOZBSRGSPMPY-BRFSQIRFSA-N 447.516 3.735 10 40 IHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1O 9235410 JWWCYMWPAJQELX-CXUHLZMHSA-N 434.926 3.909 10 40 IHCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18087197 SIFVCQCQAKWGQN-ZLNRFVROSA-N 431.467 3.943 10 40 IHCB O=C1/C(=C\c2ccc(Cl)cc2Cl)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1 33921084 KRJDUYXMXJCCDR-BOPFTXTBSA-N 447.278 3.978 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 225336365 RKEZNJBPZNSUEE-UHFFFAOYSA-N 431.602 3.540 10 40 IHCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 13075878 ALNOWECHUBAJES-CWZJEYLYSA-N 437.882 3.729 10 40 IHCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1CCO 13573663 QOHHWIXVTVZSMI-OLCHLOJWSA-N 436.574 3.571 10 40 IHCB COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)c1 15134717 BFVLKNUASQMNIO-UHFFFAOYSA-N 433.508 3.709 10 40 IHCB COc1cccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 15229592 DLPUMJDRVBWIRT-QGOAFFKASA-N 437.546 3.899 10 40 IHCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 148513386 BXNYQEODNLIMAG-UHFFFAOYSA-N 441.597 3.782 10 40 IHCB CCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)C(=O)N(c2ccccc2)C1=S 3350300 GNACTGZWYBMKJA-ATVHPVEESA-N 440.521 3.666 10 40 IHCB CN1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)CC1 20292771 XLIITJQWHAHSNI-BOPFTXTBSA-N 432.889 3.726 10 40 IHCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 223692666 YGGMYJHUNCHOGK-UHFFFAOYSA-N 429.586 3.556 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c1 408780115 SKZZJUJNDOSFLO-CIAFOILYSA-N 430.533 3.937 10 40 IHCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(Br)c2)SC1=S 409326852 FJEZFOAWLLRCRR-JYRVWZFOSA-N 430.345 3.612 10 40 IHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O 9892778 DWSKYBKMUCFSCD-LPYMAVHISA-N 443.507 3.583 10 40 IHCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2c1 12342306 PKSNAQFYEWHQDA-XDHOZWIPSA-N 436.464 3.827 10 40 IHCB Cn1ccnc1C(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 58108128 QIBPPADZBHHDIE-FQEVSTJZSA-N 434.496 3.570 10 40 IHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(F)c1 108948496 XOSMIPCYMZSCDG-NDENLUEZSA-N 448.450 3.883 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1 408914003 WXHHQBNCPKQCID-OQLLNIDSSA-N 430.913 3.574 10 40 IHCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1O 409135958 VIYUWOQJAHWXLP-NVNXTCNLSA-N 433.283 3.564 10 40 IHCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3[C@H](C(C)=O)N21 13569529 LYWNPVXGAPZUCK-LRSLUSHPSA-N 436.895 3.636 10 40 IHCB CC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22665707 KHFQIHRIJCTMHO-DEOSSOPVSA-N 426.580 3.917 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccccc1O 33531837 OXKLHEKKKZMXKL-GQZSXMDHSA-N 442.504 3.862 10 40 IHCB Cc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1 3316781 WKKYFBQXJFPQSD-UHFFFAOYSA-N 433.508 3.726 10 40 IHCB CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 8870172 GURDSRCENGNFMG-CKZSGOLTSA-N 432.567 3.594 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)cc(OC)c2)C1=O 408879233 BLTDIKZRPFQYKE-YBEGLDIGSA-N 429.270 3.687 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O 408949347 BGUATFVXEHDDLZ-LTGZKZEYSA-N 428.492 3.772 10 40 IHCB COc1cc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc(OC)c1OC 1260460 PPRLZVJEAMTNQI-NIFLVVHWSA-N 445.518 3.740 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)NC1=S 9353264 RVTVQLLZGCIFNC-MOSHPQCFSA-N 430.533 3.883 10 40 IHCB Cc1cccc(OCCn2c(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c1 13898937 LXYTUCWFZIHOQX-UHFFFAOYSA-N 431.492 3.771 10 40 IHCB COc1cc2c(cc1OC)[C@H](c1ccc(N(C)CCO)cc1)N[C@H](c1ncccc1C)C2 19237834 ZFTXBYFUQKFSJQ-NVQXNPDNSA-N 433.552 3.812 10 40 IHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)c1 408531444 KNRQMVQHWJAGRP-MHWRWJLKSA-N 426.860 3.554 10 40 IHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 409004526 XLCJOGJGZSHBFG-HMAPJEAMSA-N 448.519 3.776 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC(C)C 409394264 XXQGWUFDPSDMJA-OQLLNIDSSA-N 429.860 3.587 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)C)c3C)C(=O)NC2=S)c(OC)c1 661853 JGHYNBKJFJKOBJ-LICLKQGHSA-N 427.526 3.534 10 40 IHCB COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1 1105456 LBRUQEPRVQFZOS-UHFFFAOYSA-N 434.473 3.781 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)C1 22363400 GQLDGAPIVRVBBJ-QZTJIDSGSA-N 447.576 3.705 10 40 IHCB O=C1[C@H]2[C@@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1 100415601 YBJZLDUSZIIPTM-HSALFYBXSA-N 449.890 3.773 10 40 IHCB Cc1ccc(CNC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1 13149491 WJHYTVAEDUBUAA-UHFFFAOYSA-N 447.874 3.897 10 40 IHCB COc1ccc(O)c(CN[C@H]2CCN(c3ccc(C(=O)Nc4cccc(F)c4)cn3)C2)c1 49421014 ACXLWGRVIMGAMC-FQEVSTJZSA-N 436.487 3.556 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408739553 CPCCXUUHCPMYHQ-WJDWOHSUSA-N 436.807 3.965 10 40 IHCB Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=S)N(C)C2=O)cc1 408908042 ANHYWNLUDLVLLT-MHWRWJLKSA-N 445.338 3.593 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccccn1 409247799 NZGYGWLXYAPNOG-FOWTUZBSSA-N 436.924 3.974 10 40 IHCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OCC(=O)O)SC2=S)cc1 409335143 XRMZZDAZVUEYFS-GZTJUZNOSA-N 445.518 3.963 10 40 IHCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 12364130 PURAQOCDHFTPRJ-GDNBJRDFSA-N 431.311 3.597 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccccc1 13602872 IQLFRFPTUNNCGC-BOPFTXTBSA-N 443.502 3.590 10 40 IHCB COc1cccc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)c1 27530599 DEJSMUKGDCKRPE-VCHYOVAHSA-N 444.534 3.552 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 33539739 GQACZFZKLFRLMN-WOJGMQOQSA-N 443.525 3.850 10 40 IHCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccc(C)c1 59167736 IURKVHXDSOOXMQ-VCHYOVAHSA-N 429.519 3.868 10 40 IHCB CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408800996 QYOGKPBTUKSGQU-LFIBNONCSA-N 429.270 3.903 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)cc1 409190838 WRXMWUINEXBIEB-NFECSFHCSA-N 447.516 3.681 10 40 IHCB CN(C)c1ccc([C@H]2N(C(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1063314 HDVXGNRLVXIEKY-QHCPKHFHSA-N 435.549 3.598 10 40 IHCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1cccc(Cl)c1 9232642 QHXZPCUSIUFKAP-QHAWAJNXSA-N 436.851 3.802 10 40 IHCB Cc1ccc2c(c1)CCCN2CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 13058423 PQYNGBSHBGCGTB-UHFFFAOYSA-N 437.565 3.685 10 40 IHCB CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C 27017900 WKPXQCYXTYLZKW-UHFFFAOYSA-N 444.491 3.680 10 40 IHCB Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)cc1 36109047 YDJUCTVNVFMXJP-PMACEKPBSA-N 443.613 3.875 10 40 IHCB N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(c3ccco3)=NN12 41076733 QORCXGLWRYIKSE-HUMIGVHUSA-N 432.417 3.905 10 40 IHCB O=C1[C@H]2[C@H](C(=O)N1C1CCCC1)C1(O[C@H]2c2ccccc2Cl)C(=O)c2ccccc2C1=O 101482363 YBJZLDUSZIIPTM-ZCNNSNEGSA-N 449.890 3.773 10 40 IHCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 409188852 BBBQFLSGAZRVNI-GZTJUZNOSA-N 436.420 3.615 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(N)=O 409199619 CDDUVRWJRLTNOH-YBFXNURJSA-N 442.562 3.972 10 40 IHCB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@@H]1c1cc(Br)ccc1O 1086616 ILWKDYDOSPLXLF-QGZVFWFLSA-N 431.286 3.825 10 40 IHCB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCOCC1 8820176 PFXPYPQDUMNTIS-VKAVYKQESA-N 439.002 3.960 10 40 IHCB CCOc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1S(=O)(=O)N(C)C 12690942 AVLLNDXAAXPKSU-UHFFFAOYSA-N 441.553 3.995 10 40 IHCB Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1-c1ccc2c(c1)OCCO2 89579881 GMQSQBOCDPQFAK-UHFFFAOYSA-N 431.448 3.781 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(F)cc1 108243812 CRPYKVLUIWUJFP-UYRXBGFRSA-N 433.395 3.774 10 40 IHCB CCCCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408529925 IGPIYSOFTNMFLX-XSFVSMFZSA-N 435.480 3.839 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 408999091 KAJPXDBNZJKJFI-ZHZULCJRSA-N 437.492 3.628 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)cc1Cl 409204696 JLOKTESFHGQFPD-JHBOHYQCSA-N 441.915 3.912 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O 1241186 XSDUFBGBWSTVMH-MHWRWJLKSA-N 434.926 3.991 10 40 IHCB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 8820266 MWIPLEZCCYUUBD-FOWTUZBSSA-N 430.507 3.686 10 40 IHCB CCNc1cc(N2CCN(c3ccc(F)cc3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 9130693 LRZBMRSRBWMJLG-UHFFFAOYSA-N 444.510 3.942 10 40 IHCB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 9753171 CLUZJZDBNRFDJE-HVRVZBDQSA-N 441.597 3.947 10 40 IHCB CN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 32124738 VTSIPIWZZVBQCV-UHFFFAOYSA-N 431.857 3.833 10 40 IHCB O=C(O)CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 33808715 LRSPREVSQXTMBN-SFQUDFHCSA-N 436.518 3.610 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)C1 218342584 VQJAUUOUBLNVQF-QZTJIDSGSA-N 429.586 3.810 10 40 IHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccn1 223216002 HEJXPIUCXXKROS-PKTZIBPZSA-N 434.613 3.808 10 40 IHCB Cc1cccc(N2C(=O)/C(=C/c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C(=O)NC2=S)c1C 409194224 PFRFVWRMVPIXTD-GYZOOYGHSA-N 447.516 3.735 10 40 IHCB CCCN1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)C(=O)N(c2ccccc2)C1=S 8396142 PSAYEZYNBVUNJO-CPNJWEJPSA-N 447.516 3.680 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccccn1 9221439 XZNQOXWOYHRMFE-QHCPKHFHSA-N 434.521 3.517 10 40 IHCB O=C(C1CCN(Cc2cc(Cl)ccc2O)CC1)N1CCN(c2ccccc2F)CC1 12631151 XHPPMHSOJRFBLL-UHFFFAOYSA-N 431.939 3.746 10 40 IHCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1F 101484849 HBEGEVRYDQYKLS-PWRODBHTSA-N 441.414 3.521 10 40 IHCB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9165198 LQKRDQTVQSJNOI-DEOSSOPVSA-N 434.584 3.659 10 40 IHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100507522 XMHKKFWTNOYJCC-CXUHLZMHSA-N 446.217 3.984 10 40 IHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408799826 LQYLHHMLIKDILC-SFQUDFHCSA-N 429.270 3.904 10 40 IHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)c1C 409194556 PQPMJENKGYFUME-GYZOOYGHSA-N 431.448 3.570 10 40 IHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)c1 3659300 MTAVZTDTGDJNKC-HMAPJEAMSA-N 428.492 3.934 10 40 IHCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(C)=O)c3ccccc32)S1 6073669 DYQAGCYCJHDGGI-UHFFFAOYSA-N 449.575 3.908 10 40 IHCB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9633148 GFZGQLWONJKBSH-JLHYYAGUSA-N 441.439 3.666 10 40 IHCB COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 223390205 DDIDWTOWCAQSTG-UHFFFAOYSA-N 439.375 3.927 10 40 IHCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 2418374 RMSZZYKOLIAPAX-VBKFSLOCSA-N 430.599 3.850 10 40 IHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 408855083 DEBBUFZKGJTVGE-LFYBBSHMSA-N 449.246 3.787 10 40 IHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409087066 ITWBPWQZUYDMJQ-VMSYHEBLSA-N 435.841 3.896 10 40 IHCB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 12607638 PZOXDKUWOMBHBZ-UKTHLTGXSA-N 444.553 3.604 10 40 IHCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 41078316 LWQQYHIJVLXZMO-HSHXGIPGSA-N 447.447 3.843 10 40 IHCB COc1ccc2c(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)c(C(=O)O)[nH]c2c1 256055735 RFERJYADIHNCNX-SXGWCWSVSA-N 426.475 3.986 10 40 IHCB CCOc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OCC 409014634 XSKPTTMGZOBJEL-CYVLTUHYSA-N 438.480 3.509 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)cc1 2057469 FCYLJPRAVNHJGG-XSFVSMFZSA-N 445.500 3.569 10 40 IHCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3cc(Cl)ccc3Cl)N(C)C)ccc21 8800521 BGMSKISCGJOSRM-GOSISDBHSA-N 428.385 3.567 10 40 IHCB O=C1/C(=C\c2ccc3cccc(Cl)c3n2)SC(=S)N1CCCN1CCOCC1 13727489 HBRWTQPMJNBQIE-GHRIWEEISA-N 433.986 3.812 10 40 IHCB OCCN1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1 19789787 GFRXMINJBHBBBN-NRFANRHFSA-N 431.458 3.659 10 40 IHCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)c(C)s2)cc1 19796635 FRXHAOSCZOBFSG-LBPRGKRZSA-N 429.523 3.947 10 40 IHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 408782342 FXYBWYZXGWVCPN-HMAPJEAMSA-N 448.519 3.776 10 40 IHCB O=C(NN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S)c1cccs1 409342058 BGFCTGAMSNDPIE-GHXNOFRVSA-N 425.900 3.856 10 40 IHCB CCOC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c2ccccc21 4082179 MMLXQRJLDQQNAL-UDWIEESQSA-N 431.448 3.709 10 40 IHCB COc1ccc(Cn2nnnc2SCC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 9470811 NIVLFRARUNKEES-UHFFFAOYSA-N 434.525 3.508 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1 13943603 KTAFBWBOAHXAIX-LTGZKZEYSA-N 445.431 3.514 10 40 IHCB O=C(c1ccco1)N(CCN1CCCCC1)C1CCN(c2ccc3c(c2)OCO3)CC1 72342076 JILCKWYAFRDJGF-UHFFFAOYSA-N 425.529 3.605 10 40 IHCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] 206913719 BPYQDFKOASFUPQ-OQLLNIDSSA-N 449.897 3.803 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)c(OCC)c1 408961427 SUOGJRJJASYOAC-HMMYKYKNSA-N 449.507 3.751 10 40 IHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12 19644625 OQEUTSOWJGBVNV-JLPGSUDCSA-N 446.507 3.549 10 40 IHCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)C(C(=O)OC)=C1C 108974044 KFQBFXSDKATYMN-JVDNRXPZSA-N 448.519 3.635 10 40 IHCB CC[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819397 AIDLJHHBJFATEU-PWDRBQJJSA-N 434.583 3.696 10 40 IHCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OC)c1 9311831 ASICCYJPJSNDGS-VBKFSLOCSA-N 427.501 3.512 10 40 IHCB COc1ccccc1NCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 15133760 DNSTXFIRGMXICW-WOJGMQOQSA-N 446.550 3.992 10 40 IHCB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O 102728793 LXPXVPZNTKCSBO-QNWVGRARSA-N 430.460 3.760 10 40 IHCB C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCCCC2)cc1 225681630 LORHRABRFJCWQV-OAHLLOKOSA-N 431.583 3.630 10 40 IHCB Cc1nnc(Nc2cccc([C@@H]3CN(Cc4ccc5c(c4)CCCN5C)CCO3)n2)s1 257304239 SKSIZPBCWDXTKC-NRFANRHFSA-N 436.585 3.941 10 40 IHCB COc1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(OC)c(OC)c4)SC3=NC2=O)cc1 9191300 ASLMEZGZLDOWNX-BHBBQXGTSA-N 436.493 3.574 10 40 IHCB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 22698544 SDDGDJKJBDEXMY-UHFFFAOYSA-N 440.484 3.978 10 40 IHCB C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 260841126 JLTMZLFREYTORH-UXHICEINSA-N 443.613 3.562 10 40 IHCB CC(C)(C)c1ccc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)cc1 666046 XHTWHHMERGGPPN-UHFFFAOYSA-N 447.560 3.932 10 40 IHCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 893741 RIRMEWBXJSINDT-DPLHUUCSSA-N 438.549 3.737 10 40 IHCB CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914654 ZBAMNZNNHROWAM-HSZRJFAPSA-N 436.531 3.778 10 40 IHCB C/C=C/c1ccc(OC[C@H](O)CN2CCCN(c3ccc(OC)cc3)CC2)c(OC)c1 84136290 AAVBJGRKFOVMSW-UKKYDJSUSA-N 426.557 3.689 10 40 IHCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 100542136 TYOWENJNRJXUCB-HKBOAZHASA-N 441.414 3.521 10 40 IHCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)CC1 225627271 DDTKNOFOBALNFZ-WMZHIEFXSA-N 443.613 3.733 10 40 IHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 1281920 SWRSHEXMRUZYTI-UYRXBGFRSA-N 443.546 3.691 10 40 IHCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 2309348 UTENHOIGZLYNHW-JXAWBTAJSA-N 446.981 3.957 10 40 IHCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 2979998 IZKRCYVUWSCHGK-AQTBWJFISA-N 436.265 3.906 10 40 IHCB COc1cc(Br)cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1O 12607078 CICOUDXXUDLIQE-DJJJIMSYSA-N 433.302 3.909 10 40 IHCB COc1cc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc(OC)c1OC 27530378 LSVSTYRQLIDEMX-LZYBPNLTSA-N 447.490 3.522 10 40 IHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 27530532 LEBKVIOMBCGPBL-GZTJUZNOSA-N 442.518 3.623 10 40 IHCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccccc1F)S(C)(=O)=O 225610984 GUGGWVIMYLCFQB-HXUWFJFHSA-N 435.565 3.533 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br 409221519 RLMMATOVHCQODL-GXDHUFHOSA-N 445.338 3.988 10 40 IHCB O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 409338676 OFIVHBCUFCAIOV-WOJGMQOQSA-N 445.497 3.976 10 40 IHCB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(O[C@H]2c2ccc(F)cc2)C(=O)c2ccccc2C1=O 101488836 MUKPFLNQXJJISD-HBMCJLEFSA-N 441.414 3.521 10 40 IHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1 408823809 FEWRBIXFIPOHDQ-XNTDXEJSSA-N 444.871 3.812 10 40 IHCB Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 1819909 GAMSAPBOFWOSAO-WJDWOHSUSA-N 428.583 3.603 10 40 IHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1 104091029 SDZSHIYIHKWCSG-KTVWJZFRSA-N 440.510 3.819 10 40 IHCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C2=O)o1 107960513 OHWCZRWIKIKASM-JAIQZWGSSA-N 449.463 3.575 10 40 IHCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)cc1 1706302 HFAUVSJJTZFPEH-UHFFFAOYSA-N 426.494 3.730 10 40 IHCB Cc1cccc(NC(=O)CSc2nnc3nc(NC(C)C)nc(NC(C)C)n23)c1C 27300323 DDISEEFNYWVZFN-UHFFFAOYSA-N 428.566 3.508 10 40 IHCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 96193274 MWTKIVDMIQGUEB-PDGQHHTCSA-N 433.917 3.582 10 40 IHCB COc1ccc(OC[C@H](O)Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 604404548 DIHGLTSVRIVBGL-MRXNPFEDSA-N 427.456 3.661 10 40 IHCB biogenic Cc1cccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccc(N(C)C)cc2)CC1 72340675 BEGWUEFEJXJLMO-AREMUKBSSA-N 434.559 3.999 10 40 IHCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-] 101346768 PZFXJPIPYGYKDN-UVTDQMKNSA-N 448.220 3.918 10 40 IHCB COc1cc(N2CCOCC2)c(OC)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222596359 LOGGNXOYPXWLDM-RXYZOABWSA-N 440.569 3.525 10 40 IHCB CCOc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc(OCC)c1OCC 17307030 RVSKLYLCALFWFE-NRFANRHFSA-N 443.588 3.981 10 40 IHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 36716408 RNLQFBYNXGMURH-LICLKQGHSA-N 443.506 3.839 10 40 IHCB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3Cl)C(=O)NC2=S)cc1 107802848 KGQZGEKUAIWLET-OQLLNIDSSA-N 430.913 3.751 10 40 IHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 141475234 LAOWSDCQXUDDRS-NHDPSOOVSA-N 446.488 3.781 10 40 IHCB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc21 225728002 WMNJZWWIQJMDDB-UHFFFAOYSA-N 445.610 3.942 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)CS[C@H]3NC(=O)CC(=O)N3CC(C)C)c2C)cc1F 10427838 HOWKOUDNRGVJOW-QHCPKHFHSA-N 445.560 3.746 10 40 IHCB CCOC(=O)c1ccc(N(CCC[C@H](O)CN=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)cc1 17014675 YXSJPJIOAWYOBW-IBGZPJMESA-N 446.529 3.818 10 40 IHCB COc1ccc(N2CCN([C@@H](c3cccc(F)c3)c3sc4ncnn4c3O)CC2)cc1 22609608 MRSDAVVGRSEULY-IBGZPJMESA-N 439.516 3.556 10 40 IHCB COc1ccccc1Oc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 107924655 YXPQTCMFEUFVSO-AQTBWJFISA-N 433.420 3.655 10 40 IHCB CCN(c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(=O)(=O)CC 222400799 CLOVGKQZDHWNDA-UHFFFAOYSA-N 429.586 3.783 10 40 IHCB CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 222848320 AAFNQXNPLKAZCX-SFHVURJKSA-N 431.602 3.566 10 40 IHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1 408951150 HVYDCNXLBJFFNJ-CJLVFECKSA-N 444.491 3.608 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C(=O)NC2=S)c1 409196767 XONRTGBEBPRVQH-BCVDLATCSA-N 437.565 3.732 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(=O)NC1=S 409235858 CQRMAKFIOWHPSR-XMHGGMMESA-N 430.533 3.883 10 40 IHCB COc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c(OC)c1 8821677 UKSVNDJKHHVBKS-MOSHPQCFSA-N 427.501 3.635 10 40 IHCB CCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 9411667 ORIQDPJFRPLPSA-ZJLQCSDHSA-N 442.610 3.706 10 40 IHCB COc1ccc(N2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn34)CC2)cc1 9831076 OICJHWLOHNHODE-UHFFFAOYSA-N 437.507 3.675 10 40 IHCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2)N2CCc3ccccc32)cc1 10188433 MUYGMPFNZMDSDB-DEOSSOPVSA-N 428.536 3.611 10 40 IHCB O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13646606 VRACRGSGKJNZNS-RCEBRVLHSA-N 439.967 3.988 10 40 IHCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2ccc3c(c2)OCO3)C(=O)N=C1O 35225830 GGLITICOLZBOMO-CXUHLZMHSA-N 437.427 3.970 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 41085190 NXQBYOCGMJFKDE-YZQMTWDLSA-N 436.516 3.906 10 40 IHCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccccc2)C1=O 408538052 YSKNMVSWSFNEHB-SDXDJHTJSA-N 442.427 3.581 10 40 IHCB CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408868844 NRAVSEIHOJZWHQ-PTNGSMBKSA-N 431.311 3.679 10 40 IHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC 409141322 JJDGZZUFMDSDPF-RIYZIHGNSA-N 430.913 3.805 10 40 IHCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccccc1Br 409328831 BIMBHJGLFAELFA-OVCLIPMQSA-N 449.282 3.535 10 40 IHCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1OC 8821339 QJZBZSRLZOATQC-PDGQHHTCSA-N 428.535 3.569 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N(CCO)Cc1ccccc1 9010508 MGEQLUVWIPVEHA-JXAWBTAJSA-N 446.619 3.751 10 40 IHCB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccccc1C 13566395 XKRRWAZRIIQWBS-UHFFFAOYSA-N 440.477 3.785 10 40 IHCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 58866048 UPFTZFBEJHAFAB-UHFFFAOYSA-N 439.420 3.936 10 40 IHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NCCc2ccccc2)C1=O 8819326 MTOUCQMZCIWDKG-CYVLTUHYSA-N 426.563 3.645 10 40 IHCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccc(Br)cc34)CC2)cc1 20719272 KBSJUDPALMSJLK-FQEVSTJZSA-N 444.329 3.887 10 40 IHCB CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)C(F)(F)F)cc1 823652 VZQHLKNBBPBYGE-HNNXBMFYSA-N 435.393 3.902 10 40 IHCB COc1ccc(OCCOc2ccc(C)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 13943351 PHTYOXOMTKTOFO-HAVVHWLPSA-N 444.487 3.923 10 40 IHCB COc1ccc(O)c(CN[C@@H]2CCN(c3ccc(C(=O)Nc4cccc(F)c4)cn3)C2)c1 49421013 ACXLWGRVIMGAMC-HXUWFJFHSA-N 436.487 3.556 10 40 IHCB C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)cc2)C1 224383623 YVOPFDICGXHPBU-LJQANCHMSA-N 441.597 3.783 10 40 IHCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 225690957 QNGDTEZERAZOPA-QGZVFWFLSA-N 446.642 3.805 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 408804298 XFLXWMCUNJLFNK-XSFVSMFZSA-N 443.415 3.840 10 40 IHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3n[nH]c(C)n3)C(=O)O)c2C)cc1 409192117 AMJNUVODPFEGFG-WQRHYEAKSA-N 426.498 3.915 10 40 IHCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 10232905 MEQJNPCRLRYMKG-KNGSKEOJSA-N 431.491 3.774 10 40 IHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(OC)c1OC 11565483 ODFIFVLULHTFIO-GZTJUZNOSA-N 444.534 3.567 10 40 IHCB COc1ccc(N2CCN(Cc3cccnc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 79501816 NYQOYNPSEYTKLG-UHFFFAOYSA-N 437.565 3.554 10 40 IHCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br 408883686 VKXKHZKZNUVEST-UVTDQMKNSA-N 431.311 3.679 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)c(Cl)cc1OC 409229694 SYLTUTIGIBGUKF-GXDHUFHOSA-N 444.871 3.812 10 40 IHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Cl)ccc1O 1203354 DQBHMCKUNXPXMC-NTUHNPAUSA-N 437.702 3.639 10 40 IHCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 41085203 HKNCYYNAXRUAEG-QAPXJYDZSA-N 436.516 3.906 10 40 IHCB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccc(N(C)CCO)cc3)cc2n1 72341808 SBVYGKGQHWDJHD-IBGZPJMESA-N 433.478 3.822 10 40 IHCB O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101102005 CEOFLJUWINRSDL-NJYVYQBISA-N 429.472 3.510 10 40 IHCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(I)o2)SC1=S 9601510 ISBAJGSLPVKGAY-XFFZJAGNSA-N 430.292 3.840 10 40 IHCB COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1OC 13893331 HMEWQUJGANVPQX-ZROIWOOFSA-N 431.242 3.973 10 40 IHCB COC(=O)C1=CN(c2ccc(Br)c(C)c2)c2cc(F)ccc2S1(=O)=O 64979213 GYXBBLWHKBAAKH-UHFFFAOYSA-N 426.263 3.836 10 40 IHCB CCN(CCNC(=O)c1ccc(C)cc1I)c1ccc(OC)cc1 225031339 BSWURCOKJVXXCT-UHFFFAOYSA-N 438.309 3.865 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1OC 408891919 FIKDOFZCDFDCHS-CYVLTUHYSA-N 437.492 3.628 10 40 IHCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 3865711 XBNBVTBUUKASMK-CHHVJCJISA-N 449.897 3.794 10 40 IHCB C[C@@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 9348072 XJGTUTNVJKYEDJ-BGNFIGMGSA-N 430.595 3.596 10 40 IHCB Cc1cc(C(=O)COc2ccccc2C(=O)N2CCOCC2)c(C)n1-c1ccccc1F 9470993 NQCUVPAZTWPVBJ-UHFFFAOYSA-N 436.483 3.967 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N=C(O)N(c4ccc(OC)cc4)C3=O)o2)cc1 17181004 CGTAZNBRPQGDLP-UYRXBGFRSA-N 446.415 3.613 10 40 IHCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c1O 32099381 NTOIZXBONWOFCA-MLPAPPSSSA-N 437.677 3.587 10 40 IHCB O=C(C1=CN(c2ccc(Br)cc2)c2ccccc2S1(=O)=O)N1CCCC1 49003783 DADHYGGMGAZGSS-UHFFFAOYSA-N 433.327 3.838 10 40 IHCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 223852885 NMAKOPCGQMKJSK-SFHVURJKSA-N 427.570 3.528 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c1O 669289 NTOIZXBONWOFCA-AWNIVKPZSA-N 437.677 3.587 10 40 IHCB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)[nH]2)c(C)n1-c1ccc2c(c1)OCO2 9056545 DRNZINMNVXHLTE-UHFFFAOYSA-N 433.493 3.978 10 40 IHCB CC(C)N1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 9136555 YQJSFBFYMPJHAN-MFUVWIPLSA-N 442.610 3.786 10 40 IHCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1 41082508 IUSRZFWIEYPCNK-ZWPOCWBHSA-N 433.464 3.993 10 40 IHCB CCN(CC)c1ccc(CNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 223160019 UCJJDKJBZRQGOF-UHFFFAOYSA-N 431.602 3.704 10 40 IHCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1 408776642 YARDDSOSNBHDQF-BKUYFWCQSA-N 435.476 3.732 10 40 IHCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Br)ccc1OC 14099567 IPTIOGNVWVHYTL-UHFFFAOYSA-N 427.364 3.735 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCCn1ccnc1 33544853 QDKNYTZXLYEVMG-LGMDPLHJSA-N 449.001 3.724 10 40 IHCB CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224490075 CTUFOBFMAMZYCH-UHFFFAOYSA-N 441.528 3.647 10 40 IHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br 408802878 IRERSWCPLXMEGR-XNTDXEJSSA-N 445.269 3.610 10 40 IHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 409100791 WSFCLDGTBNNBHI-IYSPOMMRSA-N 427.526 3.758 10 40 IHCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2c1 409166829 GZMAZZDPSQAFDR-QGOAFFKASA-N 448.500 3.697 10 40 IHCB O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 4199378 MLXQHVURHOIKLS-HKBOAZHASA-N 447.462 3.649 10 40 IHCB CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)c1 9126919 PVNTZTAUWMKKIC-LJQANCHMSA-N 439.493 3.738 10 40 IHCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCC(C)CC3)nc12 27016677 YMOQJEVYDUFRQI-SFQUDFHCSA-N 442.610 3.849 10 40 IHCB CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)NCc2ccccc2)SC1=S 408578150 WDQWEAXTJCHMDQ-UNOMPAQXSA-N 426.563 3.991 10 40 IHCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408818464 VNCVIHSWPIVZHX-MHWRWJLKSA-N 429.270 3.741 10 40 IHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 408949508 BHTTZESFMDNKJD-PXLXIMEGSA-N 444.560 3.991 10 40 IHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 409014347 XKQZYKYPYRCDDA-XWAFYUISSA-N 442.493 3.780 10 40 IHCB O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1c[nH]c2ccccc12 8994589 YPZCYKOCDCNYIO-PDGQHHTCSA-N 425.535 3.711 10 40 IHCB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc2c(c1)OCO2)CO3 9302557 JRPDDOPAFVXWHF-UHFFFAOYSA-N 437.448 3.682 10 40 IHCB Cn1c(=O)cc2c3c(c(NS(=O)(=O)c4ccc(F)cc4)ccc31)C(=O)c1ccccc1-2 794938 BTEJGTMVORRRKC-UHFFFAOYSA-N 434.448 3.690 10 40 IHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2F)C1=O)N1CCCCCC1 13148145 HHUSPHMBMBSTSR-UYRXBGFRSA-N 431.533 3.865 10 40 IHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 14132727 DQYLBVOJZDXCBC-UDWIEESQSA-N 444.447 3.977 10 40 IHCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)Nc1ccc(O)cc1C(=O)O 33539295 IPUVVBUFSFNDII-CHHVJCJISA-N 448.909 3.584 10 40 IHCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCC)C2=O)cc1OC 409127394 PTKSMLQAZBMNKC-NBVRZTHBSA-N 438.480 3.545 10 40 IHCB Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)cc1C 9263197 QYNVLHGCLMSACP-MOSHPQCFSA-N 445.500 3.624 10 40 IHCB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 9632244 JEHOWMLPBMJPEV-MDWZMJQESA-N 441.439 3.666 10 40 IHCB CN1C(=O)C(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N(C)C1=O 9234515 RYPDEISJKOVDIJ-UHFFFAOYSA-N 449.341 3.840 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc2nccnc2c1 9530816 WQGMRFBMCHJMCJ-WOJGMQOQSA-N 438.509 3.999 10 40 IHCB COc1cc(Br)cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1O 12607076 CICOUDXXUDLIQE-ORAYPTAESA-N 433.302 3.909 10 40 IHCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 408692174 GJYPZWNZJNVGNQ-YBFXNURJSA-N 435.480 3.505 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1O 1200843 CLUDLWKUPGMCKZ-RIYZIHGNSA-N 445.269 3.528 10 40 IHCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccccc1 3667039 IQLFRFPTUNNCGC-GZTJUZNOSA-N 443.502 3.590 10 40 IHCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1C 9138447 PTPLYYXMOWASLM-VWLOTQADSA-N 448.611 3.968 10 40 IHCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)CC2)cc1 28220944 FXKAXPMKBMEQHU-HXUWFJFHSA-N 427.976 3.909 10 40 IHCB C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(N2CCCC2)cc1 224383768 JPYBHYWPMLHWFQ-SFHVURJKSA-N 427.570 3.708 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)c(C)c1 408999373 KQZVFOXWPATIJQ-DEDYPNTBSA-N 443.507 3.744 10 40 IHCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1 10188423 ADDVKOZWVFZJNE-RUZDIDTESA-N 442.563 3.920 10 40 IHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(NS(C)(=O)=O)c3)c2C)cc1 21147040 DBPYXFKUENSPMI-UHFFFAOYSA-N 440.521 3.814 10 40 IHCB COC(=O)C[C@H](c1cccc(O)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221901 CUUHNHMOQUIBCP-MRXNPFEDSA-N 448.427 3.977 10 40 IHCB biogenic CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(OC)c2)SC1=S 256055384 FBCKSQWTGQICCU-GXYBQNOFSA-N 442.562 3.983 10 40 IHCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 409247458 HLOIMYXTELJVOL-WUXMJOGZSA-N 426.803 3.896 10 40 IHCB CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 1186292 CDDSKVQEBIGKIS-YVLHZVERSA-N 426.519 3.787 10 40 IHCB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C)c(C)n1-c1ccc2c(c1)OCO2 9245401 GOWKSKLSOLLTMX-UHFFFAOYSA-N 447.520 3.988 10 40 IHCB COc1ccc(OC)c(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c1 83312638 MRXXRXLDXFMDBN-XNTDXEJSSA-N 431.242 3.973 10 40 IHCB Cc1cc(O)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408535997 VDCKMIAJVBLGBM-NTEUORMPSA-N 444.285 3.659 10 40 IHCB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2OC)C(=O)N(c2ccccc2)C1=S 9442255 GNACTGZWYBMKJA-SFQUDFHCSA-N 440.521 3.666 10 40 IHCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 103521656 SWLLMWRMWZRRET-CZYKHXBRSA-N 448.494 3.839 10 40 IHCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(OC)cc2)SC1=S 256055892 YAGLPAXIXPWSFP-GXYBQNOFSA-N 442.562 3.983 10 40 IHCB COC(=O)COc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 409001143 HGVXCPUHQVCVLC-AKGOGDBKSA-N 435.476 3.672 10 40 IHCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br 409389448 BBMWMGZKVVAJEF-XBUHWIKASA-N 444.285 3.688 10 40 IHCB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccc(N(C)C)cc3)C2)cc1OC 9851165 VPBGJAPJGXFYTO-FQEVSTJZSA-N 439.512 3.702 10 40 IHCB COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCCO 19418486 VTXDCYCVKOYQCB-BOPFTXTBSA-N 431.286 3.635 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 107828443 SXESKVMNRVLWQR-BOPFTXTBSA-N 436.811 3.897 10 40 IHCB O=C(O)c1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422594 REGKPQZMTXZKRX-IUXPMGMMSA-N 442.562 3.834 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3cccc(N(C)S(C)(=O)=O)c3)cc2)CC1 222422265 KOVKBVCQFIDUIQ-GOSISDBHSA-N 429.586 3.810 10 40 IHCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 2309350 ODMVCNLAZNJRCF-LFIBNONCSA-N 440.814 3.987 10 40 IHCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)CC2)cc1 15680557 BJDCMFKFQFVDHM-UHFFFAOYSA-N 441.329 3.810 10 40 IHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)NC1=S 409393531 YCBUTQZHPPKEIP-CXUHLZMHSA-N 432.343 3.503 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 9042470 OSZBSJXLNJYIRY-BOPFTXTBSA-N 442.518 3.711 10 40 IHCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O 17859185 SYPBHEQVTDEXFB-URVUXULASA-N 434.423 3.591 10 40 IHCB CN1CCc2cc([C@@H](CNC(=O)c3ccccc3C(F)(F)F)N3CCOCC3)ccc21 22733337 HHTAFKLETFTBRX-OAQYLSRUSA-N 433.474 3.501 10 40 IHCB CC1(C)Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc2O1 408710940 YYEXWFUOWCPPEV-MHWRWJLKSA-N 441.281 3.829 10 40 IHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1O 408851161 VROTWGGOAVIPDQ-DHZHZOJOSA-N 437.304 3.929 10 40 IHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1N1CCOCC1 409238685 FHPQYMMRSNPOQM-RCCKNPSSSA-N 449.576 3.786 10 40 IHCB CN(C)c1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1 409353571 NODIVJWCDHPQHE-IUXPMGMMSA-N 429.479 3.795 10 40 IHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 585261991 MECYUAFWTNMDGY-NRFANRHFSA-N 448.567 3.665 10 40 IHCB COc1ccc(-c2nc(-c3cc(O)c(O)c(OC)c3)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547206028 HLHHMWSDYRJESJ-UHFFFAOYSA-N 436.420 3.806 10 40 IHCB biogenic COc1ccc(N2CCN(C(=O)CSc3nnc(-c4c[nH]c5ccccc45)o3)CC2)cc1 1332886 ARCIODAGRRURFJ-UHFFFAOYSA-N 449.536 3.667 10 40 IHCB COc1cc(N2C(=O)N=C(O)/C(=C/c3cn(C)c4ccccc34)C2=O)cc(OC)c1OC 9016063 CQBUQHMHTMZENU-SXGWCWSVSA-N 435.436 3.711 10 40 IHCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br 9311658 AZDXPKHYQUUGRX-ZROIWOOFSA-N 449.301 3.818 10 40 IHCB COc1ccc(N2CCN(CC(=O)Nc3cc(-c4ccc(Cl)cc4)nn3C)CC2)cc1 58159660 OFNZHJGMJINXET-UHFFFAOYSA-N 439.947 3.510 10 40 IHCB CC1CCN(c2ccc([C@@H](C)NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)CC1 225681469 WKTIBPNMWCUDGA-MRXNPFEDSA-N 445.610 3.876 10 40 IHCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1OC 1241661 XGRIZVNCYLFSGG-XNTDXEJSSA-N 434.926 3.903 10 40 IHCB COc1ccc(N2CCN(Cc3csc(CC(=O)Nc4ccc(C)cc4)n3)CC2)cc1 57270870 XRDGZBNBTHHGMS-UHFFFAOYSA-N 436.581 3.964 10 40 IHCB CCN1C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)SC1=S 60510621 ZDKUYRJMNTZLQU-XFFZJAGNSA-N 435.308 3.530 10 40 IHCB COCCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)C(=O)N(c2ccccc2)C1=O 409010664 CVWGQQXJWDKLEE-CYVLTUHYSA-N 438.480 3.508 10 40 IHCB Cc1cc(C(=O)COC(=O)CNC(=O)c2cccs2)c(C)n1-c1ccc(Cl)cc1 8746918 RHMBXUJVAOITDA-UHFFFAOYSA-N 430.913 3.965 10 40 IHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccccc1 8898293 QXIHGDCHBAMIRW-VWLOTQADSA-N 429.476 3.507 10 40 IHCB CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 10214530 JUTZUZWCDHOCRU-NRFANRHFSA-N 435.524 3.981 10 40 IHCB COc1cc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)cc1OC 12323059 QYGYLQGCOIISPM-HNNXBMFYSA-N 438.480 3.888 10 40 IHCB O=C1[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 18219554 MUKPFLNQXJJISD-ACRUOGEOSA-N 441.414 3.521 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)cc1 27530585 YGRDTGCDVBRYIG-LFIBNONCSA-N 430.482 3.754 10 40 IHCB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 58060922 GQYBIYJEHBRZMK-RDPSFJRHSA-N 437.584 3.854 10 40 IHCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OC)cc1 58903846 MMNSSBJLDQBHBQ-UNOMPAQXSA-N 441.867 3.769 10 40 IHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cccc(N2CCCC2)c1 408553106 XJIFFJMSSYVIMY-VBKFSLOCSA-N 444.919 3.823 10 40 IHCB CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)NC1=S 408949997 CYSRIMXJNGNGPS-LTGZKZEYSA-N 444.560 3.937 10 40 IHCB Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c([S@]([O])(=O)=C2CCCNC2)c1O 1560405330 FVXULXZDCVDKRL-UHFFFAOYSA-N 440.904 3.682 10 40 IHCB COc1cccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2Cc2ccco2)c1 1274827 CJIBZAGHUXFOQK-UHFFFAOYSA-N 437.477 3.981 10 40 IHCB COc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 59416949 WUVXDRDUPAMHBN-YBFXNURJSA-N 433.420 3.942 10 40 IHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1O 223269135 MRTOGLLLXUFCMU-DHIUTWEWSA-N 435.597 3.729 10 40 IHCB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)ccc21 260572790 XSVALLVIJIFSIN-SFHVURJKSA-N 441.597 3.701 10 40 IHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)cc1 408758185 WOKIYTSIOCBDBQ-BKUYFWCQSA-N 444.491 3.781 10 40 IHCB Cc1c(/C=C2/C(=O)N(C(C)(C)C)C(=O)N=C2O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 8741232 GGUMEARDDSFIEN-LDADJPATSA-N 449.507 3.901 10 40 IHCB biogenic COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)O 9188661 CHROOOMLITWDKH-PDGQHHTCSA-N 429.519 3.603 10 40 IHCB CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C(=O)N=C2S)cc1 9359425 NZWUEDHKKPCORM-QNGOZBTKSA-N 435.549 3.889 10 40 IHCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccccc4)C3=O)o2)cc1 13940359 UNCYPDLXOOPYAZ-ZHZULCJRSA-N 444.443 3.785 10 40 IHCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 25083073 OGFWBWVBJQSAFT-UHFFFAOYSA-N 432.524 3.617 10 40 IHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 35103642 SDZKVFZIQDNFKS-PDGQHHTCSA-N 433.395 3.774 10 40 IHCB C#CCOc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35214430 OKOZTUUFMWPTOO-GDNBJRDFSA-N 431.673 3.576 10 40 IHCB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O 95483642 LXPXVPZNTKCSBO-GIWBLDEGSA-N 430.460 3.760 10 40 IHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)cc1C 409193983 JPQWMCLCYFRUGL-IYSPOMMRSA-N 431.448 3.570 10 40 IHCB CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3F)CC2)cc1 13503869 WCRNZEQYRYHKCC-DEOSSOPVSA-N 449.578 3.905 10 40 IHCB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O 19644503 NTDKCKWHAFXCOG-UHFFFAOYSA-N 446.484 3.606 10 40 IHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)C1 22335344 NJHRQENFWSVOOE-QZTJIDSGSA-N 447.576 3.705 10 40 IHCB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 20568743 DIMFTUHFTPGNFD-UUZFVRLVSA-N 449.569 3.893 10 40 IHCB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 33539808 OSZBSJXLNJYIRY-GZTJUZNOSA-N 442.518 3.711 10 40 IHCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408694232 GSWDZEOKRCJZPB-CPNJWEJPSA-N 435.436 3.578 10 40 IHCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408871420 ZMHVWVGEGVMGEW-RQZCQDPDSA-N 429.270 3.741 10 40 IHCB COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1 13943769 AREHQCXILQGCLL-MJEQIIAOSA-N 436.493 3.792 10 40 IHCB COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 17112908 XJBBGUBDVLVFOW-QHCPKHFHSA-N 442.600 3.571 10 40 IHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2O)C1=O 408891085 LEMATGFSGJQOCQ-XYOKQWHBSA-N 435.661 3.783 10 40 IHCB O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 408902667 PNAJKVSYDJCCIP-QGOAFFKASA-N 427.507 3.837 10 40 IHCB COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 409240449 PSSWFCYDYQZCDV-STZFKDTASA-N 448.523 3.525 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1O 1244038 LSMLRSRIWJCKLD-SXGWCWSVSA-N 434.926 3.991 10 40 IHCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1ccccc1F 9419961 RVHPPROODZUTMT-REZTVBANSA-N 426.450 3.802 10 40 IHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 18150658 FDDDPYNENFJNGN-UHFFFAOYSA-N 441.528 3.965 10 40 IHCB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 56945953 MARUUGRTLZZPEC-HSZRJFAPSA-N 435.524 3.590 10 40 IHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 408804189 CYIPAOBSLPDQBT-XNTDXEJSSA-N 445.269 3.523 10 40 IHCB O=C(O)CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S 409103119 ARHOGCRBKFAYNM-GZTJUZNOSA-N 444.490 3.850 10 40 IHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc(Br)c1 409137140 UCYADXBGHSPANE-VIZOYTHASA-N 435.299 3.978 10 40 IHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409389966 DBOZJHPPRVSITD-XNTDXEJSSA-N 438.783 3.570 10 40 IHCB CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 1257796 HAQIAEDCQVOTFD-VHEBQXMUSA-N 437.546 3.572 10 40 IHCB COc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 13942947 UJDBHGKEARFKCL-CPNJWEJPSA-N 431.535 3.993 10 40 IHCB COC(=O)C1(NC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)CCCCC1 40115079 MIWNQLYHULKWAH-UHFFFAOYSA-N 425.868 3.721 10 40 IHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCC(C)C 41078355 WHPZWOPQWJBSGB-CHYZRWSFSA-N 434.290 3.943 10 40 IHCB Cc1nc2cc([C@@H]3CCCN3Cc3ccccc3O)nn2c(C)c1CCC(=O)N1CCCC1 257270426 MUDYRNKPEGFXRY-QHCPKHFHSA-N 447.583 3.944 10 40 IHCB COc1ccc([C@@H](CC(=O)NCc2ccc(N(C)C)cc2)c2oc(C)cc(=O)c2O)cc1 1547138879 HNZMEZAIKWOYSJ-OAQYLSRUSA-N 436.508 3.567 10 40 IHCB biogenic C[C@H](C(=O)N1CCCC[C@@H]1CCO)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 9253632 DJVIYPBCLKBNMV-LMXARPBLSA-N 439.002 3.693 10 40 IHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223694994 IMWDZKJAJOOVOU-PKTZIBPZSA-N 449.580 3.728 10 40 IHCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 224128359 XARIARDAQGODOU-UHFFFAOYSA-N 443.613 3.946 10 40 IHCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)O 409190541 RYVSMPVTNDCLGJ-SEEODLKFSA-N 449.246 3.512 10 40 IHCB CCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3C(=O)O)o2)C(=O)N(CC)C1=S 2220932 QQWLAWFUUYQHKP-UHFFFAOYSA-N 432.885 3.677 10 40 IHCB O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCCn1ccnc1 9187764 VEBKAYXGTZXVSD-LGMDPLHJSA-N 449.001 3.724 10 40 IHCB Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)[C@@H]4CCS(=O)(=O)C4)n3)c2C)cc1 32768450 BWFMTBXRCPAGHQ-MRXNPFEDSA-N 429.567 3.899 10 40 IHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 59139605 UWQUCDRWTOSOAL-UHFFFAOYSA-N 444.940 3.916 10 40 IHCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1F 409055829 JULQPTSFIULSAJ-UHFFFAOYSA-N 425.268 3.626 10 40 IHCB CC(C)(C)c1ccc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 8986444 RCYWHTVWSYOLFQ-UHFFFAOYSA-N 431.492 3.767 10 40 IHCB CCc1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(Br)c1 9721025 RCBFARRXHYAGLY-UHFFFAOYSA-N 433.346 3.748 10 40 IHCB CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCCC1 26119996 ZLMDCCZMXFLOOH-UHFFFAOYSA-N 448.566 3.954 10 40 IHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)nn(-c3ccccc3)c2C)C1=O 408529042 GUQXXZHJJVBDDP-XMHGGMMESA-N 429.480 3.630 10 40 IHCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCC(=O)O 9972636 MRHAGYVSTYLUSQ-MLPAPPSSSA-N 446.344 3.532 10 40 IHCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408875732 HEHLCZXZORFBBG-LICLKQGHSA-N 429.270 3.823 10 40 IHCB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3O)C2)c1 9060592 PFZYTVTUFWJRCS-SFHVURJKSA-N 441.534 3.817 10 40 IHCB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 12848057 MPQJHKUIXUWMPO-VWLOTQADSA-N 444.487 3.776 10 40 IHCB CCOc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 13504330 NCIRWOJULFWKCQ-HSZRJFAPSA-N 436.560 3.573 10 40 IHCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(F)c1 18057644 ROOZMGFMZVXKTF-HKBOAZHASA-N 441.414 3.521 10 40 IHCB CCc1nc2sc([C@H](c3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1 22854943 QQYHCFPBZSQVMW-NRFANRHFSA-N 449.580 3.979 10 40 IHCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NCc1cccs1 33665337 XOVUKHFCXXYPMQ-UHFFFAOYSA-N 439.876 3.650 10 40 IHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC 408892808 JRMIFIWURJKQAY-QNGOZBTKSA-N 437.492 3.628 10 40 IHCB CN1CCN([C@H](CNC(=O)c2c(F)cccc2Cl)c2ccc3c(c2)CCCN3C)CC1 22734774 GDAGRKVQEZVRBN-JOCHJYFZSA-N 444.982 3.580 10 40 IHCB COc1ccc(N(C)CCC(=O)N2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)cc1 72353482 SKDGRELNXDTYDX-IBGZPJMESA-N 446.555 3.856 10 40 IHCB COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc(N(C)C)cc3)C2)c1 95532095 ULGSJXWHXRHYQE-JOCHJYFZSA-N 439.512 3.702 10 40 IHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 408771478 HGWBWBFYFDZXNK-NTCAYCPXSA-N 430.445 3.974 10 40 IHCB Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)oc2ccccc12 8590137 XGKHWNHDOBYYPE-IBGZPJMESA-N 426.538 3.637 10 40 IHCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1OC 13714089 CXHTUJNXZWBBPD-GDNBJRDFSA-N 434.926 3.903 10 40 IHCB COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OC 15013391 KEVMDGHFUSXAIN-JYRVWZFOSA-N 446.912 3.506 10 40 IHCB CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(Br)cc1O 38177837 GTYFQTPNOYQQAO-WUXMJOGZSA-N 435.230 3.649 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1OC 96247946 VOSHGAJFOXEHIZ-LHHJGKSTSA-N 437.304 3.842 10 40 IHCB O=C(O)CCN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S 2328660 XPYMFGCILXZKMF-BOPFTXTBSA-N 444.490 3.850 10 40 IHCB CCn1c2ccccc2c2cc(N/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)N=C3C)ccc21 103516637 RJVDGUIVUNJRCZ-VJOZSWGJSA-N 436.537 3.515 10 40 IHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 2451178 WIIXWVZKGHTLIM-ATVHPVEESA-N 442.518 3.623 10 40 IHCB O=C1OC2(CCCCC2)OC(=O)C1=CNc1nc(-c2cc3ccccc3oc2=O)cs1 35592643 JXPABOHJNKZCBE-UHFFFAOYSA-N 438.461 3.973 10 40 IHCB O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1nccs1 1002905 HAJBPRKLARNYQA-YRNVUSSQSA-N 440.369 3.746 10 40 IHCB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C\c2ccco2)SC1=S 9429781 XFOWIFPNKZDEBO-FHXOWUIVSA-N 425.535 3.710 10 40 IHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 95470934 RJHFGANUCJIWPF-ZHZULCJRSA-N 426.542 3.790 10 40 IHCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 408867298 LIEULZTZTDQBDZ-UHFFFAOYSA-N 428.941 3.861 10 40 IHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(Cc2cccc(F)c2)c1 408873690 WGBGDHTYSSEGKM-HYARGMPZSA-N 446.434 3.797 10 40 IHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2O)cc1 8771648 PRQNUTHGHXRDDV-LDADJPATSA-N 433.376 3.734 10 40 IHCB O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCCC1 11852317 KZOJFMQDRSPCRF-SDNWHVSQSA-N 425.373 3.663 10 40 IHCB Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)cc1 22327962 RMLHGCZDNCEIFM-FQEVSTJZSA-N 443.613 3.875 10 40 IHCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccccc1F)S(C)(=O)=O 225610953 GUGGWVIMYLCFQB-FQEVSTJZSA-N 435.565 3.533 10 40 IHCB CC(/C=C1\SC(=S)N(CCCC(=O)NC2=NCCS2)C1=O)=C\c1ccccc1 8820584 JCXDWHWUZQQEEZ-QLKCLSONSA-N 431.608 3.833 10 40 IHCB COc1ccc(N2CCOCC2)c(NC(=O)c2cc(Br)cc(C)c2OC)c1 21124528 GPHOLAIIGYXUPU-UHFFFAOYSA-N 435.318 3.864 10 40 IHCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 59139523 FFICBRXGUBIXGY-UHFFFAOYSA-N 448.903 3.665 10 40 IHCB COc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951280 SZAHTNLOCMVOBE-UHFFFAOYSA-N 440.617 3.808 10 40 IHCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 27017888 XBNNJHIIVOUCRE-YQYFLZKSSA-N 447.559 3.538 10 40 IHCB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccco2)SC1=S 33527025 XFOWIFPNKZDEBO-FHNWIRHTSA-N 425.535 3.710 10 40 IHCB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 100982715 UUBLHKKQSQBZJU-SGNDLWITSA-N 443.503 3.812 10 40 IHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cc(Cl)ccc1O 223570300 NEDLUXXRJSBOHB-SFTDATJTSA-N 442.972 3.813 10 40 IHCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 408961317 RKEBTELLEWQUKF-LDADJPATSA-N 440.297 3.716 10 40 IHCB