smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccs1 1105346 ILEJGRWUYXCAPU-VQHVLOKHSA-N 383.281 3.886 10 50 GHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 1202042 BJVANFCGIXTMPA-XMHGGMMESA-N 388.398 3.866 10 50 GHCA COc1ccc(N2CCN([C@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1 23372990 HNOPIVFUYDXTCE-DEOSSOPVSA-N 393.575 3.914 10 50 GHCA Cc1ccc(N2C(=O)N=C(O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 15659261 DUKFVQOOMKTADZ-ZGCWVLQWSA-N 377.356 3.966 10 50 GHCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S 1130164 QZYDOSLAYNGGSV-AWNIVKPZSA-N 381.381 3.511 10 50 GHCA CCCCC1(C)OC(=O)C(=Cc2ccc(OC)c(Br)c2)C(=O)O1 2970784 BMSFIKWLXNRUTH-UHFFFAOYSA-N 383.238 3.848 10 50 GHCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 13940021 GFUIKQHXBJHLSK-ATVHPVEESA-N 376.343 3.752 10 50 GHCA CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 15684987 PWPGVEBHZGRANF-BOPFTXTBSA-N 377.396 3.683 10 50 GHCA COc1ccc(N2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 2830687 XBMKXFCEAANHQU-UHFFFAOYSA-N 388.895 3.693 10 50 GHCA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc3c(c2)OCO3)CC1 1088618 HFJRIXPLEYPLPD-UHFFFAOYSA-N 379.243 3.685 10 50 GHCA CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 22204169 ALSDSRCOWVOSGV-FXBPSFAMSA-N 377.488 3.536 10 50 GHCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(C)C2=O)o1 15011936 FYSUHDGGIZHJIB-RIYZIHGNSA-N 376.415 3.694 10 50 GHCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1O 3864397 IVQPKLDOZSUSJC-RIYZIHGNSA-N 387.233 3.969 10 50 GHCA CCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O 2873372 YAYIASZMXDWVNI-HXUWFJFHSA-N 380.444 3.963 10 50 GHCA COc1ccc(CNC[C@]2(c3ccccc3)CC2(C)C)cc1Cn1cncn1 952869238 MRZGYFOZEKHUFJ-QHCPKHFHSA-N 376.504 3.793 10 50 GHCA COc1ccc(N2CCN(Cc3cc(C(=O)c4ccccc4)cn3C)CC2)cc1 52534288 ASCBYKLDPOIMNK-UHFFFAOYSA-N 389.499 3.587 10 50 GHCA COc1cccc(-n2c(C)cc(C(=O)Cn3cnc4ccccc4c3=O)c2C)c1 10009455 UMNISAVNEIZKQN-UHFFFAOYSA-N 387.439 3.696 10 50 GHCA O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccccc1 13476999 BYBSOVVCZOZCNS-VIZOYTHASA-N 386.410 3.729 10 50 GHCA CN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N(C)C1=O 2898411 PWATUUNDVZMGRN-UHFFFAOYSA-N 379.199 3.687 10 50 GHCA O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(O)=NC(=S)N1c1ccc(F)cc1 2813030 FEEYXBKGLKOBTP-PVZSTHCMSA-N 397.387 3.962 10 50 GHCA Cc1ccnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)n1 4841314 AXAMABUIBPTHJE-UHFFFAOYSA-N 379.913 3.984 10 50 GHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc(C)c4)C3)CC2)cc1 20201718 VEUNYZWAONCPJW-HSZRJFAPSA-N 379.548 3.790 10 50 GHCA COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1O 13548738 VJMQTQRNBZUCRH-RIYZIHGNSA-N 388.426 3.715 10 50 GHCA CCCc1ccc([C@@H](C)NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 13323187 XDLBMVCWIOHUTF-LJQANCHMSA-N 395.547 3.647 10 50 GHCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)o1 1198331 SYYBXSNDBWGPQN-YRNVUSSQSA-N 381.240 3.726 10 50 GHCA COc1ccc(OC)c(C2=C/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)O2)c1 2914469 ZHYWIXQEYSILCX-ZSOIEALJSA-N 398.411 3.711 10 50 GHCA O=C1/C(=C/Nc2cccc(F)c2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 100397141 GNKGXLMEMWQTLO-NTEUORMPSA-N 394.284 3.995 10 50 GHCA Cc1cc(C(=O)Cn2ccnc2C[C@@H](C)O)c(C)n1-c1ccc(F)c(Cl)c1 2325880069 SUSGIBXYJPFCQA-CYBMUJFWSA-N 389.858 3.889 10 50 GHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 5727300 YWSCJWUUMPSIIH-NEPJUHHUSA-N 379.478 3.632 10 50 GHCA COc1ccc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc1 3858704 AIFUWLADNPDUNB-XGMUFTHNSA-N 376.441 3.671 10 50 GHCA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ccccc2O)C1 12297242 QTCSGNUZNKPCMJ-HSZRJFAPSA-N 383.488 3.789 10 50 GHCA CC1CCN(CC(=O)N2N=C(c3ccccc3O)C[C@H]2c2cccs2)CC1 241684831 QFNMTDHEZFMCNI-SFHVURJKSA-N 383.517 3.863 10 50 GHCA Oc1c(Br)cc(Br)cc1CNc1cccc2n[nH]nc12 19931862 LIBHFWLVEQHLAF-UHFFFAOYSA-N 398.058 3.801 10 50 GHCA Cn1cc(/C=C2\C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c2ccccc21 1138591 ZQUFHMKGEVUVRS-QGOAFFKASA-N 393.512 3.696 10 50 GHCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)CC1 1123882 LSBYUIYUYAJQIA-PTNGSMBKSA-N 378.881 3.585 10 50 GHCA CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 1125642 LCKZPNXSJSJYHO-XMHGGMMESA-N 390.512 3.520 10 50 GHCA COc1ccc(N2CCCN(C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 229507005 NIHCTIPUXCVWPZ-HXUWFJFHSA-N 394.437 3.960 10 50 GHCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 217683666 DNWUTOQEGRTHMD-LLGFUMIMSA-N 380.419 3.857 10 50 GHCA COc1ccc(O)c(CN2CCC3(CC2)C[C@H]3C(=O)Nc2ccccc2OC)c1 11979158 CQMIYQTYUHSWSU-SFHVURJKSA-N 396.487 3.650 10 50 GHCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CCCCC3)ccc12 1130600 OVYJLQGRKUOMMA-UHFFFAOYSA-N 381.428 3.783 10 50 GHCA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1cccc([N+](=O)[O-])c1 1193578 VLFCBYOIXMRLLM-CHHVJCJISA-N 386.410 3.729 10 50 GHCA CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1OC 13943676 DYAYBPQZKFZOKL-UYRXBGFRSA-N 393.439 3.971 10 50 GHCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Cl 14011133 KLIVBTOWEXVMDK-ZROIWOOFSA-N 384.819 3.632 10 50 GHCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc4ccccc4c3)CC2)cc1 6398928 MWAPZPIJNUEKDI-SFHVURJKSA-N 390.483 3.965 10 50 GHCA Cc1ccc(O)c(CN2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)c1 65493172 NUFHJTTZPVNUIY-UHFFFAOYSA-N 376.460 3.555 10 50 GHCA COc1cc(CNCc2cc(-c3cccnc3)ccc2O)cc(OC)c1OC 299783732 XWDKAHUFUYTXGT-UHFFFAOYSA-N 380.444 3.770 10 50 GHCA C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCCC1 1199777 LTCCDHVESPODMN-RAXLEYEMSA-N 380.395 3.931 10 50 GHCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 22184949 IUVHEGUATWJXPO-YRNVUSSQSA-N 381.240 3.726 10 50 GHCA CCN1CCN([C@@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)CC1 21486914 XAFSFXYJOJWLJD-FQEVSTJZSA-N 382.895 3.716 10 50 GHCA CC1(C)OC(=O)C(=Cc2ccc(N3CCC(C(F)(F)F)CC3)cc2)C(=O)O1 263640044 USRBAKLBJOYIQC-UHFFFAOYSA-N 383.366 3.685 10 50 GHCA CCOC(=O)COc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Cl 1161862 ZNDKIGCFPWTMBK-JYRVWZFOSA-N 385.894 3.503 10 50 GHCA COc1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 13576068 JERUUTUBUATBSB-OQLLNIDSSA-N 388.426 3.715 10 50 GHCA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6133304 HMQYKMLRXIXARI-KFXIKWRMSA-N 387.457 3.723 10 50 GHCA O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1F 1744826 YNJIDCJRKFKBQM-DHDCSXOGSA-N 390.436 3.805 10 50 GHCA Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 4951080 OUJPLMRWHVCRGF-PDGQHHTCSA-N 389.367 3.625 10 50 GHCA COc1ccc2c3c(n(-c4cccnc4)c(=O)c2c1OC)-c1ccccc1C3=O 824764571 IFCGNFOBWMUSEO-UHFFFAOYSA-N 384.391 3.614 10 50 GHCA biogenic O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1 1198325 QSIGHVKPNYLGCC-RIYZIHGNSA-N 377.252 3.825 10 50 GHCA COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 4644932 OSYDTLGWZRWZDQ-UHFFFAOYSA-N 387.391 3.732 10 50 GHCA CCOc1cccc(CN2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)c1O 15068691 DFVWPNPSPHGVAM-MRXNPFEDSA-N 399.487 3.903 10 50 GHCA COc1ccc(N2CCN([C@@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1 23372988 HNOPIVFUYDXTCE-XMMPIXPASA-N 393.575 3.914 10 50 GHCA FC(F)(F)[C@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccn1 952982553 AWJLTYCOEIBZIV-GOSISDBHSA-N 379.382 3.672 10 50 GHCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCCC1 12032396 HWVMNNCIPNQGEW-SDNWHVSQSA-N 380.560 3.788 10 50 GHCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc12 15659259 KJGCKKVUNYUHQO-UYRXBGFRSA-N 386.407 3.823 10 50 GHCA COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(F)cc1 660184 OHZKKVRERNZCTF-ZHZULCJRSA-N 395.430 3.750 10 50 GHCA CC(C)C1=NN2C(=N)/C(=C/c3ccc(Br)cc3)C(=O)N=C2S1 4646044 PCUJSIXCHFSLCR-XZPRFMIFSA-N 377.267 3.724 10 50 GHCA COCc1cc(CN[C@@H]2CCCN(Cc3cccc(OC)c3)C2)ccc1OC 20914046 YSQVNAHKLUOAOJ-OAQYLSRUSA-N 384.520 3.604 10 50 GHCA Cc1c(CCNC(=O)[C@H]2Cc3ccccc3CN2C)c2cccc3c2n1CCC3 670465095 AZBKWTCTSOCEEI-HSZRJFAPSA-N 387.527 3.611 10 50 GHCA CN(Cc1nc(O)c2sccc2n1)C1CCN(c2ccc3c(c2)CCC3)CC1 1506420928 CVNPXAIRLDHTFE-UHFFFAOYSA-N 394.544 3.986 10 50 GHCA COc1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(O)=NC2=S)c1 38170716 WNVGYIUXMJWVOH-SXGWCWSVSA-N 377.425 3.848 10 50 GHCA CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2c(CN(C)C)c1O 638443 HZPUUACPCDVOAH-UHFFFAOYSA-N 395.455 3.869 10 50 GHCA biogenic CCOc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C(=O)NC2=S)c1 1204935 XJHVOIDSGJJYIY-MHWRWJLKSA-N 386.860 3.570 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 5102146 QOBLRJUBWCAVFE-YVLHZVERSA-N 377.396 3.601 10 50 GHCA COc1ccc(CCNc2nc(-c3sc(N)nc3C)cs2)cc1OC 841154 GUMVJZGQTWCKFZ-UHFFFAOYSA-N 376.507 3.829 10 50 GHCA aggregator O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 1198498 XZQRENVUZHHTGO-IZZDOVSWSA-N 393.251 3.530 10 50 GHCA Cc1nn(-c2ccccc2)cc1CNC1CCN(c2ccc3c(c2)OCO3)CC1 906497161 OTQNNPCOUGHMMV-UHFFFAOYSA-N 390.487 3.668 10 50 GHCA Cc1cccc(-n2c(C)cc(C(=O)N3CCC([C@H]4OCCC[C@@H]4N)CC3)c2C)c1 818011097 VMXPNSALZABPET-XZOQPEGZSA-N 395.547 3.761 10 50 GHCA CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 12413420 BODDTBHDZXKEHQ-ATVHPVEESA-N 379.412 3.668 10 50 GHCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 22079149 CBQWONJPJKUUPR-PDGQHHTCSA-N 397.390 3.636 10 50 GHCA Cn1cc(/C=C2/C(=O)N=C(S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 1314984 DWEUBGCBRXWEDI-YVLHZVERSA-N 393.443 3.556 10 50 GHCA COc1ccc(N2CCN(Cc3coc4ccc(Cl)cc4c3=O)CC2)cc1 55292100 BLLGWJLFGDCKMB-UHFFFAOYSA-N 384.863 3.777 10 50 GHCA CC(C)c1noc([C@H]2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)n1 1506427685 MMLDBBBZECVLEL-INIZCTEOSA-N 398.507 3.770 10 50 GHCA COc1ccc(N2CCN(C(=O)c3cnc(-c4cccs4)nc3)[C@H](C)C2)cc1 72423013 SNGKDMUUTWNFSM-OAHLLOKOSA-N 394.500 3.565 10 50 GHCA Cc1cc(C)cc(Oc2coc3c(CN4CCOCC4)c(O)ccc3c2=O)c1 19791713 QIPFWXQPWWTYGG-UHFFFAOYSA-N 381.428 3.740 10 50 GHCA biogenic COCCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C(C(=O)OC)=C1C 2967756 NQSBXZPEHWGTHT-LCYFTJDESA-N 384.259 3.703 10 50 GHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 5727302 YWSCJWUUMPSIIH-VXGBXAGGSA-N 379.478 3.632 10 50 GHCA CC[C@@H](C)N1C(=O)/C(=C\c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)C(O)=NC1=S 38166677 IBDSBOTUXHCPGR-ZJTXEKFPSA-N 386.433 3.650 10 50 GHCA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccccc1F 1149747 XXRBOVUCNVIBDV-OQLLNIDSSA-N 389.429 3.542 10 50 GHCA Cc1cc(C(=O)N2CCC([C@H]3OCCC[C@H]3N)CC2)c(C)n1-c1ccc(F)cc1 818009864 CMJWWOOEUGGPMX-FGZHOGPDSA-N 399.510 3.592 10 50 GHCA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H]2C)cc1 239338895 LJSNHZXUZXRBAV-WNYOCNMUSA-N 385.508 3.893 10 50 GHCA Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)c(C)n1-c1ccccc1 828145189 KGBDXQFTEBJLIZ-GOSISDBHSA-N 391.471 3.722 10 50 GHCA O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccccc1O 1181406 JYDBPVVIJPREKM-QGOAFFKASA-N 399.903 3.838 10 50 GHCA CC(C)C1=NN2C(=N)/C(=C/c3cccc(Br)c3)C(=O)N=C2S1 5093240 LJLGPPIILROZMD-XZPRFMIFSA-N 377.267 3.724 10 50 GHCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)CC1 4602699 RXMROHIUYOJRSX-RVDMUPIBSA-N 378.881 3.585 10 50 GHCA COc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCOCC2)c(OC)c1 19925597 MCQQTDAWUXZMTO-QHCPKHFHSA-N 379.456 3.984 10 50 GHCA Cc1cc(C(=O)NCc2nncn2-c2ccccc2)c(C)n1-c1cccc(F)c1 114678725 IFZAVWBHROSOSW-UHFFFAOYSA-N 389.434 3.744 10 50 GHCA CCN(CC)c1ccc(C=c2sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 254740879 LCKZPNXSJSJYHO-UHFFFAOYSA-N 390.512 3.520 10 50 GHCA COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)cc(OC)c1OC 16973081 FUCHKFYISZXXFY-OQLLNIDSSA-N 396.399 3.528 10 50 GHCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(C)c4ccccc34)C2=O)cc1 4794790 IIUCPGKIHZLNOJ-UNOMPAQXSA-N 387.439 3.968 10 50 GHCA O=C(O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1211327 FHIYHGBICRFANO-FLIBITNWSA-N 386.292 3.515 10 50 GHCA CCN1C(=O)/C(=C\c2ccc(OC)c(Cn3nc(C)cc3C)c2)SC1=S 4652235 SBBZWBDLMGBQNH-LICLKQGHSA-N 387.530 3.778 10 50 GHCA COc1ccc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)c([N+](=O)[O-])c1 100316588 DLLGCTNXMGUYPC-GDNBJRDFSA-N 386.795 3.975 10 50 GHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4cccc(C)c4)C3)CC2)cc1 20201721 VEUNYZWAONCPJW-QHCPKHFHSA-N 379.548 3.790 10 50 GHCA CCCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(CC)CC)cc1 3879094 MYJWQYMOOJWRGL-GOSISDBHSA-N 375.538 3.669 10 50 GHCA Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](c1ccccc1F)[C@H](C)O 1300255501 GXJLARPACOUFKL-AOMKIAJQSA-N 394.446 3.898 10 50 GHCA COc1cc(-c2c3cnn(C)c3nc3c2oc2c(C)c(O)ccc23)cc(O)c1O 253414928 ZBYXIYNOLQBLLZ-UHFFFAOYSA-N 391.383 3.969 10 50 GHCA biogenic O=C1CN(Cc2ccccc2O)C(=O)N1CCCOc1ccc2ccccc2c1 1875290241 JDRDCTZXMLDYNF-UHFFFAOYSA-N 390.439 3.779 10 50 GHCA Cc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)C(=O)N=C2S)cc1 6897980 DGFRDDMBEFEVRZ-BOPFTXTBSA-N 375.453 3.729 10 50 GHCA COc1ccc(N2CCN(Cc3nc(Cc4cccc(F)c4)no3)[C@H](C)C2)cc1 36385822 GYEKTZVRDOGVSU-MRXNPFEDSA-N 396.466 3.519 10 50 GHCA O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(Cl)cc2Cl)C(=O)N1 4050220 NHCACBWUUHBNDM-UHFFFAOYSA-N 377.183 3.535 10 50 GHCA CN(C)c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1Br 1182375 ODPFYUWXEUCHER-UHFFFAOYSA-N 396.281 3.761 10 50 GHCA CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 5952138 SNRASAHHFOBOHU-WQRHYEAKSA-N 394.427 3.988 10 50 GHCA CCOc1cccc(CN2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1O 12386230 XVBXHORWHMJPDR-QGZVFWFLSA-N 399.487 3.903 10 50 GHCA O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccccc1Cl 1216448 MDIKVIAGMVIASR-ZROIWOOFSA-N 390.873 3.592 10 50 GHCA COC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 1153620 WEPNSRSPCBRLQI-LFIBNONCSA-N 385.466 3.888 10 50 GHCA CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N=C2S1 4311420 NOVVDZSCCORDSI-KXKVSBCVSA-N 395.400 3.884 10 50 GHCA O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=S)N1Cc1cccnc1 1161316 PKJOUSXJIDJGDG-WCSRMQSCSA-N 390.873 3.865 10 50 GHCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 15658693 HPGOEMPZEYJQGE-DHDCSXOGSA-N 385.763 3.753 10 50 GHCA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCC(C)CC3)C2=O)cc1 1181301 BTFJGLBTJPNQBR-GHRIWEEISA-N 388.558 3.845 10 50 GHCA COc1ccc(OC)c([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 253427575 NGBLTNHUIGOFNL-GOSISDBHSA-N 392.411 3.994 10 50 GHCA Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 1206621 SXXFQZCGHMWNGW-ZHZULCJRSA-N 385.423 3.761 10 50 GHCA COc1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 55567982 BUNVJTGUYVBOTE-UHFFFAOYSA-N 394.302 3.763 10 50 GHCA CCC(CC)COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 828468 NUXNRTFTHROJJF-GOSISDBHSA-N 375.538 3.525 10 50 GHCA Cc1ccc(C2=NN3C(=N)/C(=C/c4cccc([N+](=O)[O-])c4)C(=O)N=C3S2)cc1 1177774 LAFIRTMHSLDZNG-YERBQUFUSA-N 391.412 3.571 10 50 GHCA O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1ccccc1O 1212753 WFQYUKLBKOQALM-ZROIWOOFSA-N 390.873 3.592 10 50 GHCA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 625005 UNLFTWXGUFGGQA-UHFFFAOYSA-N 394.452 3.677 10 50 GHCA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2906330 JVVJKYWXMVLYDK-LCFDYFRESA-N 387.935 3.748 10 50 GHCA O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/c1c[nH]c2ccccc12 2250517 WXLHNZZHYWXAIN-LDADJPATSA-N 381.391 3.988 10 50 GHCA COc1ccc(N2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1 55562687 RGLDDQIJBYWJDP-UHFFFAOYSA-N 375.472 3.609 10 50 GHCA COc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])c1 4703752 QQAYCGXQSZJAIT-UHFFFAOYSA-N 397.475 3.863 10 50 GHCA CN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)coc23)CC1 19791816 JEOAVVNXQIMAFK-UHFFFAOYSA-N 384.863 3.566 10 50 GHCA biogenic Cc1ccc(COc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)cc1 32694330 QIVMWZQWLBIQQQ-LICLKQGHSA-N 399.493 3.860 10 50 GHCA CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1 6239799 DKHJPMFAKKYMKF-UHFFFAOYSA-N 390.490 3.586 10 50 GHCA CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 15746466 IZBZZMZLSUFGPU-SFQUDFHCSA-N 397.525 3.874 10 50 GHCA Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)O)c3)SC2=S)cc1 3000781 OCBRLTWSVBKOEM-YBEGLDIGSA-N 385.466 3.864 10 50 GHCA COC(=O)c1ccc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1 1207951 GZBVHNPYLFWXPX-GZTJUZNOSA-N 378.384 3.597 10 50 GHCA O=C1N=C(O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 13773522 LOQZCFPUBMWEFZ-QCWVPXHQSA-N 395.346 3.792 10 50 GHCA O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\Nc1cccc(Cl)c1 5595957 LZMQNKOGNKMFSK-XFXZXTDPSA-N 392.267 3.737 10 50 GHCA CCOC(=O)c1ccccc1NCN1C(=O)/C(=C\c2ccco2)SC1=S 4956073 WVRIRCHWFCGEJH-XNTDXEJSSA-N 388.470 3.727 10 50 GHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 1200421 YFMUTBKOQXAFGM-KGENOOAVSA-N 388.398 3.866 10 50 GHCA COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(OC)c1OC 16267777 XVHOCRZFTRZYMG-ZROIWOOFSA-N 391.470 3.707 10 50 GHCA CN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)C[C@@H]1CCCN2CCCC[C@H]12 409414054 MXVRSXOWINBFQG-HRAATJIYSA-N 396.531 3.684 10 50 GHCA biogenic CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3O)C2=O)cc1 19789169 RFFXJAQRQNYWNQ-YBEGLDIGSA-N 384.819 3.835 10 50 GHCA c1cc2c(cc1N1CCC(NCc3csc(N4CCCC4)n3)CC1)CCC2 1506402551 PUFKRSWLCUOFIN-UHFFFAOYSA-N 382.577 3.991 10 50 GHCA CCOCc1cc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)ccc1OC 12304439 LUAPCLLUHBRDPM-HXUWFJFHSA-N 392.503 3.980 10 50 GHCA Cc1ccccc1N1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)C(=O)NC1=S 19535407 VPKAIZLJBGGNDC-WJDWOHSUSA-N 375.453 3.616 10 50 GHCA CC[C@H](C)N1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(O)=NC1=S 1146071 OYYBVVMXENNZOZ-JASJWYONSA-N 398.444 3.651 10 50 GHCA CCCCC1(C)OC(=O)C(=Cc2cc(Br)c(O)c(OC)c2)C(=O)O1 2968658 OASSSMLGHOKMPX-UHFFFAOYSA-N 399.237 3.553 10 50 GHCA COc1ccc(CCN2CCC(CN(C)Cc3c(O)cccc3OC)CC2)cc1 12075058 FRPZEFISGYGTCV-UHFFFAOYSA-N 398.547 3.796 10 50 GHCA CCc1cc(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 409414817 XNCKFHGJSHCZLC-FXAWDEMLSA-N 384.520 3.757 10 50 GHCA biogenic COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 650396 LUNJBLOQCQYZFS-UNOMPAQXSA-N 392.411 3.776 10 50 GHCA Cc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 13130540 MGJOLBLDGBXFNU-WISAJEAXSA-N 383.494 3.892 10 50 GHCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O 2915399 HTXKOWACANYTOR-NTUHNPAUSA-N 393.251 3.530 10 50 GHCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Cl 2958801 UMIFPKWBBPUFGV-GXDHUFHOSA-N 384.819 3.714 10 50 GHCA CC(C)OC(=O)NC1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 1775953398 CWIXCQOSULUGBT-UHFFFAOYSA-N 377.872 3.693 10 50 GHCA O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 4181457 VTHOKMPXVJBWOA-UHFFFAOYSA-N 397.839 3.916 10 50 GHCA COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc12 15837294 RKANHWWVUGDTAJ-AQTBWJFISA-N 378.428 3.643 10 50 GHCA Cc1ccc(C(C)(C)O[C@@H]2CC(=O)C[C@@H]3C(=O)c4cccc(O)c4C(=O)[C@H]32)cc1 169616667 HWBQGRFPUCBOTB-FBBABVLZSA-N 392.451 3.995 10 50 GHCA O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1O 2303589 GGEMCFKZONIVOE-UVTDQMKNSA-N 390.511 3.684 10 50 GHCA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(Cl)cc1Cl 14010505 CBLSAGFNUPPCPL-ZROIWOOFSA-N 384.259 3.703 10 50 GHCA O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1cc2ccccc2[nH]1 4965125 VVMRLXZMNBWGCU-AQTBWJFISA-N 381.391 3.988 10 50 GHCA Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 127364408 CPXVXJFBGOZYEW-UHFFFAOYSA-N 399.497 3.804 10 50 GHCA Cc1cc(=O)c(O)c(-c2[nH]c(-c3ccc(O)c(O)c3)nc2-c2ccccc2)o1 1848443494 WCHNUWNCJSQIMG-UHFFFAOYSA-N 376.368 3.789 10 50 GHCA COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(OC)c1O 1151667 XLPYZMNYHCKQDW-XNTDXEJSSA-N 379.503 3.943 10 50 GHCA COC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CC(C)(C)OC3 12384536 OWMGCXDNACHEAA-UHFFFAOYSA-N 375.494 3.507 10 50 GHCA COc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@@H](C(=O)O)CC3)c2C)c1 1875354288 SYVSEWYQMOQTCG-SJORKVTESA-N 384.476 3.866 10 50 GHCA C[C@H](NCCCc1ccnc(C(C)(C)C)n1)c1ccc(N2CCN(C)CC2)cc1 2325733815 GRGWGVMNBGZUGD-IBGZPJMESA-N 395.595 3.809 10 50 GHCA O=C1N=C(O)/C(=C\c2cnc(-c3ccccc3)nc2)C(=O)N1Cc1ccccc1 1180674 HCSGRABLSNGLNO-WOJGMQOQSA-N 384.395 3.646 10 50 GHCA OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1CCCc1ccccc1 19635747 VJXUNKKGEDZDFP-OAQYLSRUSA-N 388.939 3.547 10 50 GHCA COc1cc2c(cc1OC)[C@@H](c1cc(Br)ccc1O)N(C)CC2 6667463 JEOKXNLJLFGKND-SFHVURJKSA-N 378.266 3.749 10 50 GHCA O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1O 1232284 BQASERKPKJGDHW-VBKFSLOCSA-N 384.482 3.622 10 50 GHCA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(Cl)cc(Cl)c2O)N1 754318 AKQJKFSWUKPUMJ-ZBFHGGJFSA-N 377.227 3.869 10 50 GHCA O=[N+]([O-])c1ccc(O)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 4980560 NZPUDXBEGUWKPV-UHFFFAOYSA-N 381.354 3.641 10 50 GHCA in-vitro COc1ccc(N2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)C[C@H]2C)cc1 245311679 QBWWYEMWPYCDIA-IAGOWNOFSA-N 377.488 3.958 10 50 GHCA O=C1N=C(O)/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)N1 1170619 ROYZFYMZQAXLQO-UHFFFAOYSA-N 396.142 3.751 10 50 GHCA CCOc1cccc(CN2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1O 12386231 XVBXHORWHMJPDR-KRWDZBQOSA-N 399.487 3.903 10 50 GHCA CCOc1ccc(Br)cc1C(=O)Nc1ccc(O)cc1C(=O)O 4843079 QVGOJGMHRDDVBL-UHFFFAOYSA-N 380.194 3.504 10 50 GHCA O=C(O)CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 226090002 LOWRMFOZCMJCQZ-JZKQVHKSSA-N 382.847 3.981 10 50 GHCA COc1ccc(N2CCN(c3nc4c(C)cccc4cc3CO)[C@@H](C)C2)cc1 95360360 GHWNDNNKKIPXOH-KRWDZBQOSA-N 377.488 3.759 10 50 GHCA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 842965 RPMNYSYZCTVEFJ-HKWRFOASSA-N 377.440 3.611 10 50 GHCA biogenic COC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 793755 YNABYVOWRORUAS-UHFFFAOYSA-N 388.379 3.648 10 50 GHCA CCOc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O 1188921 PLEQYPZJKNFKOE-KPKJPENVSA-N 393.226 3.559 10 50 GHCA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@@H](C)c2ccccc2O)ccc1F 1704302878 CRGPVFMSRHCYML-LBPRGKRZSA-N 399.422 3.752 10 50 GHCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 1195084 OSKHGEDXRLITPG-MDWZMJQESA-N 377.252 3.825 10 50 GHCA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc4c5c(cccc35)CC4)C2=O)c1 5060606 GGSBZOUUFOPMLG-NDENLUEZSA-N 398.418 3.613 10 50 GHCA COc1ccc(CCN2CCC[C@@H](CN(C)Cc3ccc(OC)cc3O)C2)cc1 11754025 BRSWGPNEVYKSIC-FQEVSTJZSA-N 398.547 3.796 10 50 GHCA CCC(=O)Oc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc1OC 16265350 LCTJBCVJLWIWJF-GZTJUZNOSA-N 382.391 3.956 10 50 GHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3O)C2=O)cc1 13785672 NBZXQYBPOUZITD-ATVHPVEESA-N 398.509 3.931 10 50 GHCA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1 755186 NLVMTXFZKYDHPR-LHQXNBGVSA-N 397.228 3.672 10 50 GHCA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(-c3cccc(OC)n3)ccc2O)C1 14881127 LGJXCKUDSLURJA-GOSISDBHSA-N 397.519 3.543 10 50 GHCA CCCCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1OC 16115481 BEVGFECPOVCJSZ-VBKFSLOCSA-N 381.519 3.722 10 50 GHCA Oc1ccc(-c2ncccn2)cc1CN1CCN(C/C=C/c2ccccc2)CC1 23158241 JUPMTTDUZJRXSY-XBXARRHUSA-N 386.499 3.680 10 50 GHCA COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Cl)c1O 997437 RCQJWWJVZGUTMI-NSIKDUERSA-N 386.791 3.559 10 50 GHCA O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(N2CCCC2)cc1 13670179 POHMYHNFTAVQOQ-UHFFFAOYSA-N 382.888 3.699 10 50 GHCA c1cncc(CN2CCC[C@H](NC3CCN(c4ccc5c(c4)CCC5)CC3)C2)c1 1506421145 YIDMTOLAGFGHQK-DEOSSOPVSA-N 390.575 3.793 10 50 GHCA O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccnc1 13518569 CJWHICZIIUVMSL-KCTVJHQVSA-N 395.509 3.868 10 50 GHCA aggregator COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1cccs1 13942084 SXPZVVLYVCSCNQ-NTEUORMPSA-N 391.495 3.807 10 50 GHCA O[C@H](c1ccccn1)C1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506395105 CGBUQIUXMGHMPC-VWLOTQADSA-N 391.559 3.985 10 50 GHCA COc1ccc(N2CCN(C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 20109756 VPLABWWWZXHFLG-NRFANRHFSA-N 398.547 3.555 10 50 GHCA aggregator CCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OC 12410795 CAKUFSYVAPMYMA-PTNGSMBKSA-N 395.502 3.550 10 50 GHCA O=C(O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S 1238456 KDHQPBOMSXIRRL-MHWRWJLKSA-N 385.466 3.551 10 50 GHCA CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2906332 JVVJKYWXMVLYDK-HQQGHWSLSA-N 387.935 3.748 10 50 GHCA Cc1ccccc1N1C(=O)/C(=C\c2cn(C)c3ccccc23)C(=O)N=C1S 6898410 ZCEOQMJLITZBEP-WJDWOHSUSA-N 375.453 3.729 10 50 GHCA CC(=O)c1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)[C@@](O)(C4CC4)C3)cc2)c1C 219438744 XROJFDSTEBKFHW-LFVRLGFBSA-N 380.488 3.530 10 50 GHCA OC1(c2cccnc2)CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506427172 VKGNRUPASFHBFE-UHFFFAOYSA-N 377.532 3.523 10 50 GHCA O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 13673687 DNUOSEQGTAPVON-UHFFFAOYSA-N 395.322 3.528 10 50 GHCA Cc1c(Cl)cccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)NC1=S 1134131 BKZCGDDUMIFZFE-NTEUORMPSA-N 395.871 3.961 10 50 GHCA COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1232285 NDQYRKKRKVUSLM-LGMDPLHJSA-N 398.509 3.925 10 50 GHCA Oc1ccc(-c2ncccn2)cc1CN1CCC(O)(c2ccc(Cl)cc2)CC1 19634668 AWKGLPZCEAVQAL-UHFFFAOYSA-N 395.890 3.986 10 50 GHCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nccs1 1746234 GJMPMDPGHXRWLZ-PKNBQFBNSA-N 395.556 3.825 10 50 GHCA COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 1090158 QUMIVJMPBNGJLO-WJDWOHSUSA-N 384.482 3.550 10 50 GHCA COC(=O)COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]32)cc1 16425780 AXCHZRHSKGTLIT-LZJOCLMNSA-N 379.412 3.763 10 50 GHCA Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 16249731 IAPKMAAREITIMS-YBEGLDIGSA-N 395.871 3.961 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 909696 SFSPIFZWINQRPM-HXUWFJFHSA-N 378.476 3.636 10 50 GHCA Cc1c(CCNCc2cnc(N3CCOCC3)s2)c2cccc3c2n1CCC3 952972370 XFWACBVLFLMNCK-UHFFFAOYSA-N 396.560 3.521 10 50 GHCA CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C 1134471 BJWNOQDDEBRZPF-GZTJUZNOSA-N 381.501 3.573 10 50 GHCA O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(F)cc1)c2[N+](=O)[O-] 4601082 OOGIXDSZDQTZBO-UHFFFAOYSA-N 390.326 3.762 10 50 GHCA COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 1183332 DCJCEUCENKVSTB-WQRHYEAKSA-N 393.439 3.582 10 50 GHCA O=C1CCN(Cc2c(O)ccc3ccccc23)CCN1Cc1cccc(F)c1 12245573 XBIRIURKNKEAHN-UHFFFAOYSA-N 378.447 3.919 10 50 GHCA CCn1c2c(c3cc(C(=O)N(CCO)Cc4cccs4)ccc31)CCCC2=O 952979542 WUVYNLJXQVYYBT-UHFFFAOYSA-N 396.512 3.876 10 50 GHCA COc1ccc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c(O)c1 12713483 VQDIALZMVFFXOU-UHFFFAOYSA-N 375.896 3.871 10 50 GHCA CC1(C)[C@H]2CC[C@H]1[C@@H](O[C@@H]1CC(=O)C[C@@H]3C(=O)c4cccc(O)c4C(=O)[C@@H]31)C2 247651444 NLLZPZMJMSXUEY-HVQQFYGASA-N 382.456 3.576 10 50 GHCA COc1ccc(-c2nnc(N/C=C3\C(=O)N(c4ccccc4)N=C3C)s2)cc1 100503629 HFASGLQNLZAFLF-ATVHPVEESA-N 391.456 3.932 10 50 GHCA Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](c1ccccc1F)[C@@H](C)O 1300255503 GXJLARPACOUFKL-OPAMFIHVSA-N 394.446 3.898 10 50 GHCA COc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 1236394 ICUTYELDIHZELF-WLSWZUKCSA-N 399.493 3.592 10 50 GHCA Oc1ccccc1CN1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 20134999 AGSSPYZOABCNFG-OAQYLSRUSA-N 385.939 3.832 10 50 GHCA COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccccc2)C1=O 23634853 WCPYMVFSGUDCMV-GHRIWEEISA-N 398.509 3.925 10 50 GHCA COc1ccc(CN(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c(O)c1 11844403 MAVFNTMNDCBJRJ-IBGZPJMESA-N 386.511 3.926 10 50 GHCA COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1 1206090 KNAXCEXZDODURQ-XNTDXEJSSA-N 384.775 3.633 10 50 GHCA COc1ccc(C2=C/C(=C\c3ccc(OC(C)=O)cc3OC(C)=O)C(=O)O2)cc1 1207246 UJOFJUGIMXQTTR-LICLKQGHSA-N 394.379 3.527 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1F 1150050 RCDPOLBPBYBLSP-WJDWOHSUSA-N 397.402 3.720 10 50 GHCA O=C(O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 967017 XRUZQMALKZLVGA-ATVHPVEESA-N 399.493 3.942 10 50 GHCA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2ccccc2O)C1 12297243 QTCSGNUZNKPCMJ-QHCPKHFHSA-N 383.488 3.789 10 50 GHCA CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 13552782 PRCFKUVSFGLLEX-GZTJUZNOSA-N 393.830 3.981 10 50 GHCA CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 6715986 XUJMWBNOTQXMPW-HXUWFJFHSA-N 388.895 3.855 10 50 GHCA O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C/C=C/c3ccco3)C2=O)c1 17150179 KGQOXNCSLLHZTQ-NTOUICHMSA-N 376.290 3.883 10 50 GHCA COc1ccc(N2CCN(C(=S)c3cccc(Br)c3)CC2)cc1 2886525 OGSUASYJNCXTAM-UHFFFAOYSA-N 391.334 3.955 10 50 GHCA COc1cccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1 26771430 FRGLILMWKNDEJO-QRYYFKOISA-N 399.493 3.592 10 50 GHCA CCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 2103075 IBSWYWFRZRNCFM-RYUDHWBXSA-N 379.478 3.633 10 50 GHCA COC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1191133 USHXDVXZIUPLML-WDZFZDKYSA-N 376.286 3.758 10 50 GHCA C[C@H]1Cc2cc(/C=C3/C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)ccc2O1 13897551 DKYLXPXPXYCNBP-KCUAXXGYSA-N 389.238 3.778 10 50 GHCA O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1C1CCCCC1 1857666726 RFVHEGZIAIFSQC-UHFFFAOYSA-N 392.458 3.857 10 50 GHCA O=C(O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1907738 YPGDHNMSGUBRQU-FLIBITNWSA-N 386.292 3.515 10 50 GHCA CCOC(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CC(C)(C)OC3 1246405 NYICIPPAZNSTCV-UHFFFAOYSA-N 375.494 3.507 10 50 GHCA O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCC[C@@H](C(F)(F)F)C1 4539372 QKJFRJYBLAKJLM-SSDOTTSWSA-N 378.199 3.662 10 50 GHCA COc1ccc(N2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)cc1 55561867 FIQZDBSRMLJGPS-UHFFFAOYSA-N 384.867 3.721 10 50 GHCA [O-][n+]1ccc(Nc2ccc(O)c(CN3CCC(O)CC3)c2)c2ccc(Cl)cc21 71767103 OVXGXIWHSYWOJS-UHFFFAOYSA-N 399.878 3.533 10 50 GHCA Oc1ccc(-c2cncnc2)cc1CN1CCN(C/C=C/c2ccccc2)CC1 19958562 NOFPCRSLFBKETE-QPJJXVBHSA-N 386.499 3.680 10 50 GHCA Cc1cc(C)cc(Oc2coc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)c1 19791715 TUFJGBKTMOWPPD-UHFFFAOYSA-N 394.471 3.655 10 50 GHCA biogenic COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1O)N(C)CC2 6667462 JEOKXNLJLFGKND-GOSISDBHSA-N 378.266 3.749 10 50 GHCA CCOc1cccc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)c1O 15746263 UVSCVHHLXDCBJD-NSIKDUERSA-N 393.226 3.559 10 50 GHCA O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(F)cc1 2916773 YEWWFZYFBGAPBJ-KPKJPENVSA-N 395.242 3.964 10 50 GHCA CCCC1=NN2C(=N)/C(=C/c3cccc(Br)c3)C(=O)N=C2S1 4372466 AFYMXKZIHRRRJQ-ZWGDPFMXSA-N 377.267 3.868 10 50 GHCA CC1(C)[C@H]2CC[C@H]1[C@@H](O[C@@H]1CC(=O)C[C@H]3C(=O)c4cccc(O)c4C(=O)[C@@H]13)C2 169616671 NLLZPZMJMSXUEY-PPJFOCCVSA-N 382.456 3.576 10 50 GHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 1214718 LFIHHQFSNLYAKY-FOWTUZBSSA-N 399.834 3.590 10 50 GHCA OCC[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCN1Cc1ccc(F)cc1 23358028 HPAHXJQSTSDATJ-OAQYLSRUSA-N 394.490 3.753 10 50 GHCA O=C(O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 12729733 FIXLWAQZIGIRGY-MHWRWJLKSA-N 385.466 3.551 10 50 GHCA COc1cccc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c1O 12749340 VHRSSVLNTDLDAU-UHFFFAOYSA-N 375.896 3.871 10 50 GHCA COc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)c(O)c1 12327807 JCXIXERXINSBSD-NQIIRXRSSA-N 386.536 3.794 10 50 GHCA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1792518 YUCQBHBKHAPHQU-IAOKNECISA-N 392.527 3.575 10 50 GHCA biogenic CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1233298 YRVNGDOPTRPBPN-QGOAFFKASA-N 397.862 3.853 10 50 GHCA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 1105111 IRBFROZAKSDDSZ-RVDMUPIBSA-N 394.333 3.891 10 50 GHCA COc1cc(N(C)C[C@H](O)c2ccccc2Br)cc(OC)c1OC 154270833 LKOVKYLPRBCWMD-HNNXBMFYSA-N 396.281 3.645 10 50 GHCA COc1ccc2c3c(n(-c4cccc(O)c4)c(=O)c2c1OC)-c1ccccc1C3=O 824764618 MZXKDCIZXKMACW-UHFFFAOYSA-N 399.402 3.925 10 50 GHCA biogenic CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 1114036 JQVNMIXFWKEYQJ-HXUWFJFHSA-N 378.476 3.636 10 50 GHCA CC(C)(C)n1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 30798257 JKFHZKCBMXFNHY-RVDMUPIBSA-N 387.892 3.728 10 50 GHCA CC(C)c1noc([C@@H]2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)n1 1506427696 MMLDBBBZECVLEL-MRXNPFEDSA-N 398.507 3.770 10 50 GHCA COc1ccc(N2CCN(C(=S)Nc3ccccc3OC(F)F)CC2)cc1 952738 VBSXXADOQLGCBM-UHFFFAOYSA-N 393.459 3.816 10 50 GHCA O=C1C[C@@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)CN1Cc1ccccc1 1506395094 CBNPLIMSAHQYFE-HSZRJFAPSA-N 389.543 3.535 10 50 GHCA O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCC[C@H](C(F)(F)F)C1 4539370 QKJFRJYBLAKJLM-ZETCQYMHSA-N 378.199 3.662 10 50 GHCA Cc1cccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1C 4660852 CGZNVBGGHFDXFV-UHFFFAOYSA-N 391.448 3.880 10 50 GHCA O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O 3831490 NCEXYHBECQHGNR-QZQOTICOSA-N 398.400 3.702 10 50 GHCA fda CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3cccc(C)c3)C2=O)c2ccccc21 1236257 YTZOXTRMLGUMTC-MSUUIHNZSA-N 394.477 3.664 10 50 GHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(C)s4)C3)CC2)cc1 20166476 QCKRXYZFRYXNEK-FQEVSTJZSA-N 385.577 3.852 10 50 GHCA CCCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 2289310 DMHXWNLIZIJEOX-QXMHVHEDSA-N 397.319 3.773 10 50 GHCA O=C1N=C(O)/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(F)cc1 6898557 XRQBDHMIIZYPAN-UYRXBGFRSA-N 393.418 3.928 10 50 GHCA COc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1O 4838678 VQDORRNVPJIXGX-ZROIWOOFSA-N 388.426 3.715 10 50 GHCA CCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 2103073 IBSWYWFRZRNCFM-VXGBXAGGSA-N 379.478 3.633 10 50 GHCA COc1ccc(N2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)cc1 3538301 GJURYYZZCZGSAZ-UHFFFAOYSA-N 376.909 3.790 10 50 GHCA CC(C)c1noc(C2CCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)n1 952970480 VVGZTCIZMWGFAC-UHFFFAOYSA-N 398.507 3.770 10 50 GHCA COc1cc(C)c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1C(C)C 2833071 HMIQJJBRTYEUAK-OQLLNIDSSA-N 379.503 3.803 10 50 GHCA CC(/C=C1\SC(=S)N(NC(=O)c2cccc(O)c2)C1=O)=C\c1ccccc1 4567478 OMDGPBKEAHNZFQ-NEOBQEPSSA-N 396.493 3.885 10 50 GHCA CCCCN1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(O)=NC1=S 2818394 HUNMGLGNNKLFAV-FOWTUZBSSA-N 398.444 3.653 10 50 GHCA CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 1173551 YKQYZIDQRQHIQQ-MHWRWJLKSA-N 384.819 3.714 10 50 GHCA OC1CCN(c2ccc(CN3CCn4cnc(-c5ccccc5)c4C3)cc2)CC1 2325807642 JFIASVRGQCVZOY-UHFFFAOYSA-N 388.515 3.527 10 50 GHCA CCN1CCN([C@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)CC1 21486915 XAFSFXYJOJWLJD-HXUWFJFHSA-N 382.895 3.716 10 50 GHCA O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1(C2CC2)CCOCC1 170596131 IAAUFZLTZHPNFA-UHFFFAOYSA-N 394.462 3.580 10 50 GHCA Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2ccc(C)c(O)c2O)c1C 170656283 JJNMXKDMJGSAPG-UHFFFAOYSA-N 379.460 3.789 10 50 GHCA CCCCS(CCCC)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 16662493 IELJMNQRRRMVFJ-UHFFFAOYSA-N 382.913 3.964 10 50 GHCA c1ccc(-c2cnc(SCc3nnc4n3CCCC4)n2C[C@H]2CCCO2)cc1 278184409 FLADMXWVGZKUQW-QGZVFWFLSA-N 395.532 3.949 10 50 GHCA COc1cc([N+](=O)[O-])cc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c1O 5032747 KXCWQDNTZPHYMT-QUCCMNQESA-N 389.496 3.538 10 50 GHCA Cc1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 4289698 SXEAIGBOHRQSJH-UHFFFAOYSA-N 391.448 3.880 10 50 GHCA COc1cccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1 26771429 FRGLILMWKNDEJO-WLSWZUKCSA-N 399.493 3.592 10 50 GHCA CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 1137948 XINZFLXOMLCNSS-HXUWFJFHSA-N 394.544 3.801 10 50 GHCA Cc1nn([C@@H](C)c2nc(-c3ccc(-n4cccc4)cc3)no2)c(C)c1[N+](=O)[O-] 1423481 IFJFWUILXZIWJH-AWEZNQCLSA-N 378.392 3.858 10 50 GHCA COc1cc(OC)cc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)c1 170615736 YHLDSIVAPPSQRI-LJQANCHMSA-N 392.411 3.994 10 50 GHCA Nc1ccc(CC(=O)N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1 1506401136 CCZJGLKVZPDIOU-XMMPIXPASA-N 377.532 3.716 10 50 GHCA C[C@@H](NC(=O)c1coc(COc2cccc3cccnc23)n1)c1ccccc1O 67804823 VAVFRVUIKMUWCD-CQSZACIVSA-N 389.411 3.998 10 50 GHCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1O 1162078 AJEJROWTOQGAFL-SDQBBNPISA-N 388.308 3.775 10 50 GHCA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1 1197363 CEACBNGIRLZOIZ-DEDYPNTBSA-N 386.407 3.510 10 50 GHCA COc1ccc(OC)c([C@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)c1 1506401551 MXGNWEGUMNHBBZ-HNNXBMFYSA-N 384.476 3.752 10 50 GHCA Cc1ccc(C(O)(C(=O)NCc2ccc(N(C)C)cc2)c2ccc(C)cc2)cc1 19925517 GGBQTZHHWITWAW-UHFFFAOYSA-N 388.511 3.922 10 50 GHCA C/C(=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(Br)cc1 2700365 CXJJYYLCGFCFGW-WQLSENKSSA-N 386.292 3.515 10 50 GHCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 1172693 NXTBONLXMTYIKI-LICLKQGHSA-N 398.509 3.795 10 50 GHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCC2 1217716 SKOBCJANFQIDRJ-CHWSQXEVSA-N 391.489 3.798 10 50 GHCA Cc1cc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)no1 1149149 DXYBVZKUHZGOCF-OTLSHVCWSA-N 399.497 3.769 10 50 GHCA COc1cc(Br)cc(CN2CCN(c3ccccc3F)CC2)c1O 96876690 ZLYFPGKZXITLFK-UHFFFAOYSA-N 395.272 3.625 10 50 GHCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccnc1 5090789 PNCUEXXAJVGZDW-GXDHUFHOSA-N 389.527 3.763 10 50 GHCA O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1ccc(O)cc1 22171301 CNQCXELZYFEBQH-XDHOZWIPSA-N 384.391 3.955 10 50 GHCA Cc1cccc(C2=NN3C(=N)/C(=C\c4ccc(N(C)C)cc4)C(=O)N=C3S2)c1 4845603 WLSUCYAKNUSPQJ-ACUDIFQKSA-N 389.484 3.728 10 50 GHCA CCc1cccc(CC)c1N/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 2990346 ROILGRAIUBVNLS-LGMDPLHJSA-N 377.444 3.699 10 50 GHCA CC(C)Cn1cc(/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)c2ccccc21 2316497 QQWUXLGDNZBYGV-VCHYOVAHSA-N 391.427 3.757 10 50 GHCA CC(=O)Nc1ccc([C@@H]2c3[nH]cnc3CCN2Cc2cc(C)ccc2O)cc1 67885668 WGTGETUUEAWHGB-JOCHJYFZSA-N 376.460 3.530 10 50 GHCA c1ccc(-c2cnc(SCc3nnc4n3CCCC4)n2C[C@@H]2CCCO2)cc1 278184404 FLADMXWVGZKUQW-KRWDZBQOSA-N 395.532 3.949 10 50 GHCA COc1ccccc1N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 1131353 IXMJQWLSXMPTDD-RGEXLXHISA-N 396.468 3.773 10 50 GHCA COc1ccc(C(=O)[C@@H]2CCCN(Cc3c(O)cccc3OC)C2)cc1OC 11815898 AEUXFRBKTCGNTK-MRXNPFEDSA-N 385.460 3.513 10 50 GHCA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 12412844 QLZKGCFIIUJKMX-YBEGLDIGSA-N 383.835 3.910 10 50 GHCA CCCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(CC)CC)cc1 3879095 MYJWQYMOOJWRGL-SFHVURJKSA-N 375.538 3.669 10 50 GHCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)C2=O)c1 1214597 KEYSESGTZPYXQJ-XDHOZWIPSA-N 387.439 3.770 10 50 GHCA CCOc1c(O)ccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)c1[N+](=O)[O-] 13914372 SJAAGLUIKSJTCU-WJDWOHSUSA-N 381.388 3.814 10 50 GHCA Oc1ccccc1[C@H]1c2nc[nH]c2CCN1Cc1c[nH]nc1-c1ccc(F)cc1 67934811 QMELLOGBBQXORY-QFIPXVFZSA-N 389.434 3.792 10 50 GHCA CCc1ccccc1N1C(=O)/C(=C/c2ccc(N(CC)CC)o2)C(=O)N=C1O 8914648 PPRVOQQNPUZYPL-DTQAZKPQSA-N 381.432 3.559 10 50 GHCA COc1ccc([C@@H](NC(=O)C(C)C)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 12381915 RUEYMBHMDRYCAS-GOSISDBHSA-N 395.415 3.719 10 50 GHCA Cc1ccsc1[C@H](CNC1CCN(c2ccc3c(c2)OCO3)CC1)N(C)C 1506406996 QISVXPXPRGNQAU-SFHVURJKSA-N 387.549 3.647 10 50 GHCA COc1ccc(N2C(=O)N=C(O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])C2=O)cc1 1192449 APNSYCDVMRZNKG-ANSBUGDOSA-N 393.355 3.666 10 50 GHCA CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)C3CCCCC3)cc2)CC1 170604662 MRTUVGZNXSISGE-GOSISDBHSA-N 385.552 3.578 10 50 GHCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O 15659605 OUYFSZNFCWTUFO-YBEGLDIGSA-N 387.482 3.811 10 50 GHCA O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 1072029 DRGGVPQBXLTNCR-UHFFFAOYSA-N 382.368 3.789 10 50 GHCA COc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCOCC2)c(OC)c1 19925595 MCQQTDAWUXZMTO-HSZRJFAPSA-N 379.456 3.984 10 50 GHCA COc1cccc(OCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1 2961441 ANDCOMOYJGXFSD-GZTJUZNOSA-N 387.482 3.642 10 50 GHCA Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 1172805 LTQJVARRUKZRGK-CXUHLZMHSA-N 384.482 3.541 10 50 GHCA COc1ccc(C(=O)[C@H]2CCCN(Cc3c(O)cccc3OC)C2)c(OC)c1 12074044 JQVWVPVJPHHMSD-HNNXBMFYSA-N 385.460 3.513 10 50 GHCA C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)C[C@@H](C)O1 4614663 UCXZZOXSGKTSOF-PRRORJFTSA-N 381.295 3.529 10 50 GHCA CN(Cc1nccs1)Cc1ccc(Cl)c(I)c1O 170609064 KVGHLMPNCZAZAV-UHFFFAOYSA-N 394.665 3.739 10 50 GHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 1217717 SKOBCJANFQIDRJ-STQMWFEESA-N 391.489 3.798 10 50 GHCA O=C(O)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 1059588 LTJCAOUYCWAOSI-MHWRWJLKSA-N 385.466 3.551 10 50 GHCA Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 976760 XSFQJXIPJRXINO-UNOMPAQXSA-N 380.469 3.980 10 50 GHCA CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 15722685 CBVLBJOCCWBENM-UYRXBGFRSA-N 378.428 3.875 10 50 GHCA Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 19883344 MAUMVNBXTYSIIA-UHFFFAOYSA-N 375.428 3.721 10 50 GHCA COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1C(C)C 2968836 TWDGTZQVKSJPAI-WOJGMQOQSA-N 396.418 3.933 10 50 GHCA COc1ccc(Br)cc1/C=C1/SC(N2CCCCC2)=NC1=O 1183713 SBFNAHGUVGKSTQ-GXDHUFHOSA-N 381.295 3.914 10 50 GHCA O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1cccc(O)c1 1002931 AWQLVRUBJQMSOX-ZSOIEALJSA-N 390.873 3.592 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 8741166 HGQBMEQNQCCPON-FQEVSTJZSA-N 394.544 3.801 10 50 GHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Br)C2=O)cc1C 1183992 HENRNTWTKZMYRN-XNTDXEJSSA-N 399.244 3.732 10 50 GHCA CCOC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CC(C)(C)OC3 13775174 DMWFSRNRABKAON-UHFFFAOYSA-N 389.521 3.897 10 50 GHCA CN(C)c1ccc(/C=C/C(=O)Nc2ccc(OCCn3ccnc3)cc2)cc1 2325723651 GYMCEGJAZZNBPA-LFYBBSHMSA-N 376.460 3.680 10 50 GHCA CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 65365514 DFBZHVANADURRR-UHFFFAOYSA-N 378.303 3.675 10 50 GHCA Cc1ccn(-c2ccccc2CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 151967755 IQJPXQADZUIIFV-UHFFFAOYSA-N 385.471 3.913 10 50 GHCA COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)c2C)cc1 170636963 ISUYDTONBIAMGW-NRSPTQNISA-N 382.504 3.988 10 50 GHCA C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1 65277701 XBEJJXFQHDCSHB-QGZVFWFLSA-N 396.512 3.716 10 50 GHCA COc1ccc(O)c(CN2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)c1 11818818 OEAGANQWIXJXEC-DEOSSOPVSA-N 380.532 3.931 10 50 GHCA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 1188769 AQNVWCXDNVGWIF-GOSISDBHSA-N 384.867 3.673 10 50 GHCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OC)C2=O)cc1 4845967 YXEMCNXGXDEDFU-WJDWOHSUSA-N 384.819 3.577 10 50 GHCA CC(C)C1=NN2C(=N)/C(=C/c3ccccc3Br)C(=O)N=C2S1 5093165 GZKUXZHOAVLRNT-OIFSZIAVSA-N 377.267 3.724 10 50 GHCA Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@H]([C@H]4C[C@H](N)CCO4)C3)c2C)c1 846690785 SPIBNWXHVFURRL-MIZPHKNDSA-N 395.547 3.761 10 50 GHCA CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 1029039 GPDFFOCCLHBRME-FOWTUZBSSA-N 384.482 3.632 10 50 GHCA Cc1cccc(-n2c(C)cc(C(=O)N3CCC([C@@H]4OCCC[C@@H]4N)CC3)c2C)c1 818011095 VMXPNSALZABPET-GOTSBHOMSA-N 395.547 3.761 10 50 GHCA COc1ccc(N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1 1121427 RGBJARUQSUETLP-UHFFFAOYSA-N 376.456 3.576 10 50 GHCA Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)c(Br)c1 8766841 FJIYMRRAYULCDS-UHFFFAOYSA-N 391.246 3.772 10 50 GHCA COc1ccccc1N1C(=O)/C(=C\c2cn(C)c3ccccc23)C(O)=NC1=S 1302432 XBXSMLAXYWZVGC-PTNGSMBKSA-N 391.452 3.859 10 50 GHCA CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)C3CCCCC3)cc2)CC1 170604661 MRTUVGZNXSISGE-SFHVURJKSA-N 385.552 3.578 10 50 GHCA N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 4489293 HHCWEYBMOXKZCO-HJDDMPKESA-N 382.832 3.713 10 50 GHCA Cc1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)c(C)n1-c1ccc(F)cc1 128249584 DIDFIAJAHLMPCF-UHFFFAOYSA-N 393.462 3.901 10 50 GHCA O=C1/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)SC(=S)N1Cc1ccccc1 4537798 CWJRFUMWQDBGOL-PFONDFGASA-N 397.437 3.968 10 50 GHCA NC(=O)C1CCN(C(=S)c2ccc(-c3ccc(Br)cc3)o2)CC1 1108862 MNPYUVYPXPTXGF-UHFFFAOYSA-N 393.306 3.582 10 50 GHCA O=C(O)COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1 1127961 WQMVKPFVOUTWLF-WJDWOHSUSA-N 391.514 3.932 10 50 GHCA COc1ccc(C(F)(F)C(=O)NCc2cc(Br)ccc2O)cc1 253418169 LQYMPLQYOOZSJV-UHFFFAOYSA-N 386.192 3.572 10 50 GHCA CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C1S 6783659 IQBPQFIKVVGSIM-PDGQHHTCSA-N 389.480 3.748 10 50 GHCA CN(C)c1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1Br 1118600 ZKQKYQPYRURSMI-XNTDXEJSSA-N 389.224 3.999 10 50 GHCA O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)Nc1ccc(Cl)cc1 4313805 PKOFORSQGWYQOX-UHFFFAOYSA-N 397.839 3.916 10 50 GHCA O=C(O)c1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 4819914 LESMTMGPHJCQFR-NTEUORMPSA-N 386.410 3.699 10 50 GHCA Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccncc1 1163169 MOQNYRQDGJPYKG-UDWIEESQSA-N 390.418 3.721 10 50 GHCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 1220291 DPEFZHRDHZVWGG-XNTDXEJSSA-N 384.819 3.714 10 50 GHCA CCCOc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1 4819466 FVPDMQKBGSCKEU-SFQUDFHCSA-N 395.371 3.890 10 50 GHCA CC[C@@H](C)N1C(=O)/C(=C/c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)C(O)=NC1=S 1152564 IBDSBOTUXHCPGR-MBBDXHFBSA-N 386.433 3.650 10 50 GHCA Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](c1ccccc1F)[C@H](C)O 1300255502 GXJLARPACOUFKL-KSFYIVLOSA-N 394.446 3.898 10 50 GHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(C)on3)C2=O)cc1 13810358 KYBLZOHOEMFTHM-UVTDQMKNSA-N 387.486 3.521 10 50 GHCA CC(C)CN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)SC1=S 2818497 NXXFBZACGSCKKE-MLPAPPSSSA-N 385.894 3.661 10 50 GHCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 13660255 LMHGAHBALISQHO-HKWRFOASSA-N 391.471 3.762 10 50 GHCA COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2 2748390 AMPUZJDFTNGAOY-NEPJUHHUSA-N 379.478 3.633 10 50 GHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 5093925 SKOBCJANFQIDRJ-OLZOCXBDSA-N 391.489 3.798 10 50 GHCA CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 4701872 QQXQGNPOHNNPGG-LLVKDONJSA-N 381.494 3.879 10 50 GHCA Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 1786860 CBTHGXMOCMDMFR-UHFFFAOYSA-N 391.456 3.756 10 50 GHCA CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(CC)c2C)C(=O)NC1=S 1126931 JBDHIEGRCBQLIF-SFQUDFHCSA-N 381.501 3.519 10 50 GHCA CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1153655 DDEGQKVGIPJIME-FKKWJZCKSA-N 395.846 3.629 10 50 GHCA COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(OC)c1 2261085 QWSYMNKGHUOVIO-XNTDXEJSSA-N 395.502 3.550 10 50 GHCA C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)cc3)cc2)C1 72437700 NVNJGPBEOOAJBE-LJQANCHMSA-N 393.531 3.690 10 50 GHCA CC(/C=C1\SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O)=C\c1ccccc1 5031891 FCMXIGIBNGBWOZ-YMGXUNRSSA-N 396.493 3.885 10 50 GHCA Oc1ccc(Br)cc1CN1CCN(Cc2ccccc2F)CC1 19361423 VYLKGWBVAXYTBV-UHFFFAOYSA-N 379.273 3.612 10 50 GHCA Cc1cc(C(=O)Cn2ccnc2C[C@H](C)O)c(C)n1-c1ccc(F)c(Cl)c1 2325880070 SUSGIBXYJPFCQA-ZDUSSCGKSA-N 389.858 3.889 10 50 GHCA O=c1[nH]c2ccccc2cc1-c1c2cn[nH]c2nc2c1oc1c(O)c(O)ccc12 218331947 KYLAWJZBWMIXHZ-UHFFFAOYSA-N 384.351 3.777 10 50 GHCA O=C1CCN(Cc2ccccc2O)CCN1Cc1ccccc1C(F)(F)F 19795159 HBKDMGLGJOVZND-UHFFFAOYSA-N 378.394 3.646 10 50 GHCA CCOc1ccc(N2CCN(CCNC(=O)Nc3cccc(C)c3C)CC2)cc1 59758376 MUBKQAWXGWFFFX-UHFFFAOYSA-N 396.535 3.646 10 50 GHCA COc1ccc(N2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)C[C@@H]2C)cc1 217460866 QBWWYEMWPYCDIA-DLBZAZTESA-N 377.488 3.958 10 50 GHCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC[C@H](C)C3)ccc12 4196974 PZXITPODVAZOPN-AWEZNQCLSA-N 381.428 3.592 10 50 GHCA C[C@H](NC(=O)c1coc(COc2cccc3cccnc23)n1)c1ccccc1O 67804822 VAVFRVUIKMUWCD-AWEZNQCLSA-N 389.411 3.998 10 50 GHCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 1125658 CHPIAIWTJKHKNE-FMIVXFBMSA-N 391.210 3.668 10 50 GHCA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(Cl)cc(Cl)c2O)N1 754316 AKQJKFSWUKPUMJ-GDBMZVCRSA-N 377.227 3.869 10 50 GHCA COc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C(=O)NC2=S)cc1 2873530 HXJAIQJWBKQZLU-LDADJPATSA-N 380.469 3.650 10 50 GHCA CN(C)c1ccc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCCN24)cc1 11937590 VVRDMFUPIGVGMO-RSEQLOHWSA-N 389.543 3.733 10 50 GHCA COCc1cc(CN[C@H]2CCCN(Cc3cccc(OC)c3)C2)ccc1OC 20914052 YSQVNAHKLUOAOJ-NRFANRHFSA-N 384.520 3.604 10 50 GHCA CN(C)c1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)cc1 100821176 COMSVUTXEQMBSD-QGZVFWFLSA-N 397.280 3.558 10 50 GHCA COc1ccc([C@@]2(c3ccc(O)cc3O)C[C@@H](c3ccco3)NC(=S)N2)cc1 1072531 KXWJJGUWUDIHFH-LAUBAEHRSA-N 396.468 3.552 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 1192181 XFBPFLOVVPXCLR-LJQANCHMSA-N 398.894 3.981 10 50 GHCA COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@H](C(=O)O)CC3)c2C)cc1 1875353769 FUHHQBGOWIBYFM-IRXDYDNUSA-N 384.476 3.866 10 50 GHCA CC[C@@H](C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)NC1=S 4873023 NTUUOWUQNNUIOZ-VCRXTVNUSA-N 395.528 3.828 10 50 GHCA COc1ccc(N2CCC(N3CCC[C@@H](OCc4ccccn4)C3)CC2)cc1 1506424245 ZOVRKXLPHZSULC-HSZRJFAPSA-N 381.520 3.740 10 50 GHCA CCOc1ccc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1CO 12709692 MQNVGQMGCBGHNG-GOSISDBHSA-N 397.544 3.946 10 50 GHCA COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)N=C1O 13765465 LLHHPEPZXVMQSR-DHDCSXOGSA-N 396.399 3.528 10 50 GHCA O=C(c1cc(Cl)c2c(c1)OCO2)N(Cc1ccccc1O)C[C@H]1CCCO1 170623975 YRFRLQLBRCDFMQ-OAHLLOKOSA-N 389.835 3.596 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 2315684 VGDVEUZTGQYHMC-UNOMPAQXSA-N 391.423 3.879 10 50 GHCA COc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@@H](C(=O)O)CC3)c2C)c1 1875354286 SYVSEWYQMOQTCG-IAGOWNOFSA-N 384.476 3.866 10 50 GHCA C[C@H]1CN(C2=NC(=O)/C(=C\c3cccc(Br)c3)S2)C[C@@H](C)O1 4754894 LLFMTYDCNKDIDJ-WMNKIYBBSA-N 381.295 3.529 10 50 GHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 8656975 KWCSSHMSDJDTKF-WJDWOHSUSA-N 383.498 3.620 10 50 GHCA COc1cccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3cccs3)C2)c1O 170615288 ZQUQTJGLOCCPAM-QGZVFWFLSA-N 399.516 3.626 10 50 GHCA CN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(C)C1=S 1186546 UVIUTBOWXSFVEB-UHFFFAOYSA-N 388.533 3.586 10 50 GHCA Cc1cccnc1CN1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506428157 PCJGOYDRGIGVBN-UHFFFAOYSA-N 390.575 3.665 10 50 GHCA COc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cl)cc2Cl)C1=O 755196 WCILWGNXVSBSEY-XYOKQWHBSA-N 391.210 3.668 10 50 GHCA COCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 5052097 KBHQKUYHZSGTNT-XNTDXEJSSA-N 390.442 3.702 10 50 GHCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c1C 2216274 ONAFEDPJKXTTEF-XMHGGMMESA-N 385.423 3.761 10 50 GHCA COc1ccc(N2CCN(Cc3cc(-c4ccccn4)ccc3O)CC2)cc1 64015120 VFJRHXAGVHEMJT-UHFFFAOYSA-N 375.472 3.785 10 50 GHCA CCCC1=NN2C(=N)/C(=C/c3cc(Br)ccc3O)C(=O)N=C2S1 4489100 LKJJDLWQRNREAT-XQVAPKGHSA-N 393.266 3.574 10 50 GHCA O=C1Nc2ccccc2/C1=C\c1nc2ccccc2c(=O)n1Cc1ccccc1 32625319 HDIOEXSAQMWABC-XMHGGMMESA-N 379.419 3.938 10 50 GHCA CC1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 4746567 MHOMSORAFNFTOU-NTCAYCPXSA-N 394.587 3.988 10 50 GHCA CN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21 32124956 UQGUQKOSFGDIDT-HMMYKYKNSA-N 393.446 3.962 10 50 GHCA COc1ccc(N2CCN(c3nc(N4CCCC4)c4ccccc4n3)CC2)cc1 41148354 YDNRBCKZEDBEKT-UHFFFAOYSA-N 389.503 3.565 10 50 GHCA Cc1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)c1 5613734 XHARJLCKDJNVIV-XNTDXEJSSA-N 383.835 3.531 10 50 GHCA COc1ccc(N2CC3(CN(C(=O)c4c(-c5ccccc5)noc4C)C3)C2)cc1 2100544835 LGQDYHXRPLDRPM-UHFFFAOYSA-N 389.455 3.621 10 50 GHCA CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(C)C1=S 1180248 XPNUMESNTRKNBM-UHFFFAOYSA-N 395.267 3.852 10 50 GHCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 5023966 ZKPGVTPKXNCDGO-PXLXIMEGSA-N 375.472 3.946 10 50 GHCA CC(C)CNC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 5461217 ABQYSMALQVBMSE-UHFFFAOYSA-N 375.513 3.572 10 50 GHCA O=C(Cn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21)Nc1ccccc1 22147478 XVQOCRVUSCUGAJ-YVLHZVERSA-N 393.493 3.769 10 50 GHCA COc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@H](C(=O)O)CC3)c2C)c1 1875354287 SYVSEWYQMOQTCG-IRXDYDNUSA-N 384.476 3.866 10 50 GHCA O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccccc1Cl 1214338 PGTAXGJPLRKTMC-ZROIWOOFSA-N 390.873 3.592 10 50 GHCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 974626 MHRABWCKJSVDSK-NTUHNPAUSA-N 379.846 3.886 10 50 GHCA COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2 2748388 AMPUZJDFTNGAOY-VXGBXAGGSA-N 379.478 3.633 10 50 GHCA COc1cccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1 3071885 FRGLILMWKNDEJO-WISAJEAXSA-N 399.493 3.592 10 50 GHCA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1Cl 100401301 RMRZBSUUEZCSMY-XFXZXTDPSA-N 376.199 3.572 10 50 GHCA O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1C1CCCCC1 1177892 RFVHEGZIAIFSQC-VIZOYTHASA-N 392.458 3.857 10 50 GHCA CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C(C(=O)OC)=C1C 1164075 WIXDAVQIODLLIT-MOSHPQCFSA-N 394.471 3.795 10 50 GHCA CCC(=O)n1nc(-c2ccc(OC)cc2)nc1NCc1ccc(N(C)C)cc1 4757978 CNGZAUHMRVOADZ-UHFFFAOYSA-N 379.464 3.682 10 50 GHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 1201874 IWYAWJVBWPHUEW-KGENOOAVSA-N 388.398 3.866 10 50 GHCA Oc1ccc(-c2cnccn2)cc1CN1CCC(O)(c2ccc(Cl)cc2)CC1 12206166 CQQULPJNMWFCQR-UHFFFAOYSA-N 395.890 3.986 10 50 GHCA CC(=O)Oc1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 1504989 UTRATNDIMKIMFU-UHFFFAOYSA-N 388.379 3.787 10 50 GHCA Oc1nc(CCNC2CCN(c3ccc4c(c3)CCC4)CC2)nc2ccccc12 1506397258 KGCCKXPRYUWIDF-UHFFFAOYSA-N 388.515 3.625 10 50 GHCA COc1ccc(N2CCN(c3cc(N4CCCC4)ccc3[N+](=O)[O-])CC2)cc1 4143416 ZAUVVIJJXLKREQ-UHFFFAOYSA-N 382.464 3.530 10 50 GHCA COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc2c(c1)OCO2 1053666 JFUDGYPYMPAAHQ-PDGQHHTCSA-N 395.455 3.978 10 50 GHCA CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 1189685 VETSEJOOKXRQPJ-GOSISDBHSA-N 384.867 3.673 10 50 GHCA CC[C@H](C)[C@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 4026504 DWLSLOKNTKMQTC-RBZFPXEDSA-N 381.428 3.755 10 50 GHCA biogenic Cc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 16268384 NPEZYQNEEXKUKJ-BAQGIRSFSA-N 386.795 3.615 10 50 GHCA COc1ccc(N2CCN(Cc3cc(Br)ccc3OC)CC2)cc1 55543003 WXTXCVLRUDHJCM-UHFFFAOYSA-N 391.309 3.789 10 50 GHCA CC(C)(C)n1nnnc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 766040344 MBWCIZKEDNPURD-MRXNPFEDSA-N 398.536 3.763 10 50 GHCA OC1(c2ccccn2)CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506397078 YGBDQZOTWOEWQA-UHFFFAOYSA-N 377.532 3.523 10 50 GHCA [N-]=[N+]=N[C@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 39952132 HOPXMBBEYJTPNX-SGTLLEGYSA-N 378.388 3.773 10 50 GHCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OC 13810486 OZQSLIGKWXWDOW-RGEXLXHISA-N 393.439 3.971 10 50 GHCA COc1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1OC 2873351 GUGKZZCJXZJTGZ-LJQANCHMSA-N 380.444 3.819 10 50 GHCA biogenic CC[C@H](C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)NC1=S 4873024 NTUUOWUQNNUIOZ-YQNUULROSA-N 395.528 3.828 10 50 GHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)s1 4754832 VGISSPXECNEJOX-XFFZJAGNSA-N 383.281 3.886 10 50 GHCA Oc1ccc(-c2cnccn2)cc1CN1CCN(C/C=C/c2ccccc2)CC1 299786928 NZJBAHQWHLFGKT-QPJJXVBHSA-N 386.499 3.680 10 50 GHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 1225714 TYHIJQRUCOOSRI-NBVRZTHBSA-N 377.444 3.508 10 50 GHCA COC(=O)COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1 4758268 AXCHZRHSKGTLIT-FIKGOQFSSA-N 379.412 3.763 10 50 GHCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(C)c(O)ccc23)cc(O)c1O 218289255 HBUOWARHFQBULD-UHFFFAOYSA-N 377.356 3.958 10 50 GHCA O=C1C[C@@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)CN1c1ccc(F)cc1 1506417295 PHVKUWZNWNRGPL-OAQYLSRUSA-N 393.506 3.678 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 1185798 JHOTZIFZBXHVEJ-HXUWFJFHSA-N 394.544 3.801 10 50 GHCA CCOc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccccc3)C1=O)C(=O)N2 13778174 DURUMINVNKIPPW-MSUUIHNZSA-N 396.493 3.809 10 50 GHCA CSc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113207 WPJYLNTXFNWWHE-UHFFFAOYSA-N 376.547 3.877 10 50 GHCA Cc1cc(C(=O)COc2cnn(C)c2)c(C)n1-c1ccc(OC(F)F)cc1 170600326 RDDDUDKNXYNISX-UHFFFAOYSA-N 375.375 3.691 10 50 GHCA OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1CCCc1ccccc1 19635751 VJXUNKKGEDZDFP-NRFANRHFSA-N 388.939 3.547 10 50 GHCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 100149204 DRDCWIPPPVKSGW-UYRXBGFRSA-N 389.415 3.515 10 50 GHCA COc1ccc(CNC[C@@]2(c3ccccc3)CC2(C)C)cc1Cn1cncn1 952869229 MRZGYFOZEKHUFJ-HSZRJFAPSA-N 376.504 3.793 10 50 GHCA O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1187379 SIJOHVMDBPEZQP-BOPFTXTBSA-N 393.493 3.643 10 50 GHCA aggregator CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1 1225675 UROBEINXQSWJIK-LFIBNONCSA-N 381.344 3.500 10 50 GHCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3Br)C2=O)c1 1214928 PNDRXYBXQGFGIG-XNTDXEJSSA-N 399.244 3.732 10 50 GHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cccc(Cl)c1 2892707 IHRQOGSIMWPDTR-ZROIWOOFSA-N 376.199 3.572 10 50 GHCA COc1cccc(-c2ccc(O)c(CN3CCN(c4ccccc4F)CC3)c2)n1 14991746 OIOQNRBQDPWJRR-UHFFFAOYSA-N 393.462 3.924 10 50 GHCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Cl)c3)C2=O)cc1 4703320 RQAOEYPRRYGALX-GDNBJRDFSA-N 384.819 3.577 10 50 GHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 1192836 PPPONBRDOOYHDH-XMHGGMMESA-N 377.444 3.508 10 50 GHCA COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c2C)cc1 252515326 ISUYDTONBIAMGW-HMXCVIKNSA-N 382.504 3.988 10 50 GHCA CCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 2911680 UUOOFLRGKXQGHH-KRWDZBQOSA-N 382.445 3.955 10 50 GHCA COc1ccccc1-n1c(/C=C/c2ccc(O)c(O)c2)nc2ccccc2c1=O 4826402 OTKDKQJFWIGZLU-ACCUITESSA-N 386.407 3.976 10 50 GHCA FC(F)(F)[C@@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccn1 952982558 AWJLTYCOEIBZIV-SFHVURJKSA-N 379.382 3.672 10 50 GHCA CC1=NN(c2ccccc2)C(=O)/C1=C1/C(=O)Nc2c(C)cc(Br)cc21 5102276 ZMMGZBQPUXKKHB-FOCLMDBBSA-N 396.244 3.886 10 50 GHCA COc1ccccc1CCN1CCC[C@@H](CN(C)Cc2c(O)cccc2OC)C1 14969088 XQXXXFPQHYNAJI-IBGZPJMESA-N 398.547 3.796 10 50 GHCA CCCCOc1ccc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)cc1OC 16225182 KHUHCDPIGAXSSE-AQTBWJFISA-N 380.444 3.644 10 50 GHCA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C(=O)OC)C1 239403306 RSSRWUKYZJVTQJ-JHJVBQTASA-N 393.505 3.879 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccco1 1161688 RMEUFXWZKSCOJP-GDNBJRDFSA-N 388.217 3.919 10 50 GHCA CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2S(C)(=O)=O)cc1 1018765 HSDUPHXZRSDVJG-SFHVURJKSA-N 377.897 3.517 10 50 GHCA COc1ccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1 6389032 OLDSRNWDIZGPQT-UHFFFAOYSA-N 390.281 3.812 10 50 GHCA Cc1cc(C)c(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 2837327 SZLDIENLBARGJA-YBEGLDIGSA-N 383.835 3.844 10 50 GHCA CCN1CC[C@@H](CN(CC)C(=O)c2ccc3c(c2)c2c(n3CC)C(=O)CCC2)C1 952981805 NUHYZGWDDYVBQD-QGZVFWFLSA-N 395.547 3.984 10 50 GHCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)C2=O)cc1 4703286 ONVWZJGXPPJZBL-UYRXBGFRSA-N 387.439 3.716 10 50 GHCA COc1ccc(N2CCN(Cc3ccc(OC)c(Br)c3)CC2)cc1 755549 MSFKZSBQEGCURU-UHFFFAOYSA-N 391.309 3.789 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 2089278 YKLBUULVPFDCDT-BOPFTXTBSA-N 397.814 3.915 10 50 GHCA COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccc(C)c(Cl)c2)C1=O 12462288 ILDFNNWVDDQBMD-ZSOIEALJSA-N 377.227 3.772 10 50 GHCA CCN(CC)c1ccc(CN2CCC(=O)N(Cc3ccc(OC)cc3)CC2)cc1 14889592 FHTUQBFSMZRROH-UHFFFAOYSA-N 395.547 3.776 10 50 GHCA Cc1cccc(-n2c(C)cc(C(=O)N3CCC([C@@H]4OCCC[C@H]4N)CC3)c2C)c1 818011096 VMXPNSALZABPET-PKTZIBPZSA-N 395.547 3.761 10 50 GHCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCc1ccc(OC)cc1 100163402 NPFZWHLUULRBCD-XMHGGMMESA-N 394.431 3.780 10 50 GHCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 217683740 DNWUTOQEGRTHMD-CBGDNZLLSA-N 380.419 3.857 10 50 GHCA CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 14009211 UNGCOZQVRKBFPA-AQTBWJFISA-N 377.396 3.652 10 50 GHCA O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(F)c1)c2[N+](=O)[O-] 4694295 GVRQFQCNYYWMNG-UHFFFAOYSA-N 390.326 3.762 10 50 GHCA COc1ccc(N2CCN(Cc3nc(Cc4cccc(F)c4)no3)[C@@H](C)C2)cc1 13595370 GYEKTZVRDOGVSU-INIZCTEOSA-N 396.466 3.519 10 50 GHCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 15799933 MLWXOPTYDBELFI-GZTJUZNOSA-N 398.509 3.795 10 50 GHCA CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)C(=O)O1 263639807 JPRXHFIRQIUBKQ-UHFFFAOYSA-N 377.318 3.987 10 50 GHCA COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1 15222327 FVRASSICSUVZHI-WJDWOHSUSA-N 384.482 3.535 10 50 GHCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl 2958927 MNLZMVAFEXOGOC-FMIVXFBMSA-N 388.782 3.544 10 50 GHCA O=C1/C(=C\c2ccc(N3CCOCC3)o2)SC(=S)N1Cc1ccccc1 4844643 VDKCHXGUMHDULB-FOWTUZBSSA-N 386.498 3.518 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1O 2301337 QWDBXVDVUGUHMA-ATVHPVEESA-N 379.412 3.586 10 50 GHCA O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1CCc1ccccc1 36132244 LJVPLAIIQISBKY-WJDWOHSUSA-N 386.454 3.744 10 50 GHCA CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1OCC 16212904 QBFFZLBCKAKVKX-UVMABXGOSA-N 390.505 3.564 10 50 GHCA O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1Cc1ccccc1 4706674 RDWFEYQLUKDSEW-XMHGGMMESA-N 396.537 3.925 10 50 GHCA COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 1192799 XOILSRWIGIZZME-CPNJWEJPSA-N 386.407 3.823 10 50 GHCA COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)ccc1O 4844943 WMFYVEQNLVVPDA-WQRHYEAKSA-N 394.427 3.772 10 50 GHCA COc1ccccc1/C=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 1786531 URPNZLDYZKVEOI-YSKWHIJTSA-N 399.493 3.592 10 50 GHCA CCOc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 2993202 XFGORAOOZWWQKK-NTEUORMPSA-N 377.227 3.854 10 50 GHCA CCCCc1n[nH]c2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@H]13)CC2 104626170 DBIZCBPSBRHLTL-GIMINZRKSA-N 376.504 3.791 10 50 GHCA CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 122349507 YSKKRXZBBMPAQT-UHFFFAOYSA-N 394.402 3.921 10 50 GHCA Cc1ccc(COc2cccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)c2)cc1 32694329 KGYHXMBWRQTXRK-LICLKQGHSA-N 399.493 3.860 10 50 GHCA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 5023970 PRCQQUJSDDYVGE-UYRXBGFRSA-N 378.428 3.875 10 50 GHCA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S 1806840 YXNAFKSTVBIXPB-ODUNQGDFSA-N 375.496 3.645 10 50 GHCA CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2S(C)(=O)=O)cc1 1018764 HSDUPHXZRSDVJG-GOSISDBHSA-N 377.897 3.517 10 50 GHCA O=C1c2c(O)ccc(Nc3ccccc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21 38611779 DYALWCKAJBVSBZ-UHFFFAOYSA-N 376.324 3.525 10 50 GHCA COCCN(Cc1ccccc1O)CC1CCN(Cc2ccccc2F)CC1 12431876 WFBIDYGKMYBYIF-UHFFFAOYSA-N 386.511 3.892 10 50 GHCA O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 44911057 BEKSFIPQSMZEPP-UHFFFAOYSA-N 377.532 3.815 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 1185940 DBOBMOQTKLAETK-HXUWFJFHSA-N 378.476 3.636 10 50 GHCA CCCCOc1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1OC 16672023 VCJQBWHTNCXORX-AQTBWJFISA-N 380.444 3.644 10 50 GHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 13575237 FPAJEVFMBQRJEY-RAXLEYEMSA-N 389.527 3.682 10 50 GHCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1 22064846 UFYOXFOICUOSNK-ZHZULCJRSA-N 393.439 3.971 10 50 GHCA O=C(CCC1CCN(Cc2cc(Cl)ccc2O)CC1)NCc1cccnc1 11820957 WANZMEGAJJVLMH-UHFFFAOYSA-N 387.911 3.749 10 50 GHCA O=S(=O)(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1cccc2ccccc12 5595383 ZVTCYLUCAHANJI-UHFFFAOYSA-N 398.469 3.616 10 50 GHCA O=C(O)COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 2929784 AIMOJVFIGVGHGV-ATVHPVEESA-N 399.493 3.594 10 50 GHCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1O 6227934 GGEMCFKZONIVOE-GXDHUFHOSA-N 390.511 3.684 10 50 GHCA O=C1/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)SC(=S)N1Cc1ccco1 4553280 LFTPPMYCFCQNKD-SEYXRHQNSA-N 387.398 3.561 10 50 GHCA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1210282 HMQYKMLRXIXARI-DFSFMLJYSA-N 387.457 3.723 10 50 GHCA COc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(Cl)c1O 101727718 FBBTWYZCNWZBTH-VGOFMYFVSA-N 387.779 3.769 10 50 GHCA C[C@@H]1CN(C2=NC(=O)/C(=C\c3cccc(Br)c3)S2)C[C@@H](C)O1 4754896 LLFMTYDCNKDIDJ-PRRORJFTSA-N 381.295 3.529 10 50 GHCA Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Br)c2)cc1 1234490 ZBFHHGMRUMLJBB-UHFFFAOYSA-N 376.659 3.917 10 50 GHCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N(C)c3ccccc3)ccc12 1131596 PPWGUQNBVRWFCJ-UHFFFAOYSA-N 389.407 3.997 10 50 GHCA CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCCc1ccccc1 1134742 PVNXVKXWCOOUQO-UHFFFAOYSA-N 396.439 3.926 10 50 GHCA COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](c1ccccc1)C2 6179793 JWQDYWSEMAUTKI-ZDUSSCGKSA-N 387.457 3.611 10 50 GHCA CCCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 2900134 OBDLMMPACUMZKX-PTNGSMBKSA-N 379.503 3.630 10 50 GHCA CC[C@H](C)N1C(=O)/C(=C\c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)C(O)=NC1=S 38166678 IBDSBOTUXHCPGR-JNNKLVPLSA-N 386.433 3.650 10 50 GHCA CC1=CSC2=NC(=O)/C(=C/c3cccc(OC(=O)c4ccco4)c3)C(=N)N12 4644031 OVHWRHWRXIXNSQ-UWRFPUSRSA-N 379.397 3.666 10 50 GHCA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC)C1 5476641 RSSRWUKYZJVTQJ-UPJWGTAASA-N 393.505 3.879 10 50 GHCA CCOC(=O)[C@@H](C)Oc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 842820 CSSPIWQNJFMNBN-GFCCVEGCSA-N 383.356 3.699 10 50 GHCA COC(=O)C1=CN(c2cc(Cl)ccc2C)c2ccc(F)cc2S1(=O)=O 263619004 WLQFKBUWACPPAE-UHFFFAOYSA-N 381.812 3.727 10 50 GHCA C[C@@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)c1ccc(S(C)(=O)=O)cc1 1506404515 DVNAFVAKOCHYKA-QGZVFWFLSA-N 398.572 3.898 10 50 GHCA O=C1N=C(O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(F)cc1 1146968 GSMNDTWWVBYKDD-PVZSTHCMSA-N 381.319 3.797 10 50 GHCA Cc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 13130539 MGJOLBLDGBXFNU-BQGMYUGNSA-N 383.494 3.892 10 50 GHCA COC(=O)CC1CCN(Cc2c(O)ccc3occ(C(=O)c4ccco4)c23)CC1 252510731 ZPDVZHNEBKVHQW-UHFFFAOYSA-N 397.427 3.738 10 50 GHCA biogenic COc1cccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1O 15836676 DLQXBGQUEFZQLB-WMQSWVATSA-N 384.461 3.600 10 50 GHCA c1csc(CN2CCC[C@H](NC3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1 820414924 DATGMWRAYJCCPX-SFHVURJKSA-N 399.560 3.700 10 50 GHCA O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(O)c1 1902651 AAMBYTNNYPRBFK-UVTDQMKNSA-N 390.511 3.684 10 50 GHCA COc1ccc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1[N+](=O)[O-] 1215304 DNQVMWGTQJDOAU-OQLLNIDSSA-N 395.371 3.727 10 50 GHCA COc1cccc(/C=C2\SC(=S)NC2=O)c1OCc1ccc(F)cc1 16225384 RBTREFBCASNWLF-DHDCSXOGSA-N 375.446 3.902 10 50 GHCA Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCOc2cc(CN)ccc21 2325860024 VBRFTDYEYNGVCP-UHFFFAOYSA-N 382.895 3.751 10 50 GHCA COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c4c(cccc24)CC3)C1=O 5060635 PWQKSZXDVMYISF-AQTBWJFISA-N 398.418 3.613 10 50 GHCA Cn1ccc(C2CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)CC2)cc1=O 1772808635 WQAPHCSETCQKJR-UHFFFAOYSA-N 391.559 3.722 10 50 GHCA COc1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 4747894 MVFCXOTZPATESW-UHFFFAOYSA-N 383.448 3.689 10 50 GHCA Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)c1 1179606 SHAAQEGZPYSJEA-WOJGMQOQSA-N 384.395 3.959 10 50 GHCA CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=S 1193044 QXIPPEDBKWPYFQ-UTCJRWHESA-N 383.086 3.636 10 50 GHCA CCn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCCC3)C2=O)c2ccccc21 1131903 DTAVZMZAWVXDBW-QGOAFFKASA-N 379.460 3.846 10 50 GHCA Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 2469613 DRCWRKIFOBIOQG-UHFFFAOYSA-N 375.431 3.828 10 50 GHCA O[C@@H](c1ccccn1)C1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506395104 CGBUQIUXMGHMPC-RUZDIDTESA-N 391.559 3.985 10 50 GHCA CCN(CC)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 1198921 HCEODGKXFBQXOK-FQEVSTJZSA-N 394.544 3.964 10 50 GHCA COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 15659317 OHSGJXJUWYJXHH-AQTBWJFISA-N 388.448 3.680 10 50 GHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)cc1C 2980076 VWKMNDITVHCTMB-XSFVSMFZSA-N 385.423 3.761 10 50 GHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 1202589 FWNWTICDDOFBGU-XSFVSMFZSA-N 388.398 3.866 10 50 GHCA COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(Br)cc1O 13895010 AWPAEDONTXBWED-ZSOIEALJSA-N 387.233 3.969 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 1185939 DBOBMOQTKLAETK-FQEVSTJZSA-N 378.476 3.636 10 50 GHCA COc1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 3891052 XACWIEPNLOEYHR-ALGNWURXSA-N 376.441 3.557 10 50 GHCA COc1ccc(C(=O)[C@@H]2CCCN(Cc3c(O)cccc3OC)C2)c(OC)c1 12074041 JQVWVPVJPHHMSD-OAHLLOKOSA-N 385.460 3.513 10 50 GHCA CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c(OC(C)=O)c1 12363796 AORTXUUMVOKDKU-VCHYOVAHSA-N 378.380 3.827 10 50 GHCA CSc1ccc(C(=O)c2coc3ccc(O)c(CN4CCN(C)CC4)c23)cc1 218505679 KRYSOOHNAWQKDV-UHFFFAOYSA-N 396.512 3.839 10 50 GHCA CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N(C)C1=O 2844925 RZJJBJDFCOBDRO-UHFFFAOYSA-N 379.199 3.687 10 50 GHCA O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C(=O)c1ccc(F)cc1 408822861 ZJOYEKLXKGGGPZ-OVCLIPMQSA-N 387.413 3.596 10 50 GHCA Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(O)cc1 16183545 IYDXZSFGDJLBIY-NDENLUEZSA-N 387.464 3.570 10 50 GHCA O=C1CCC2(CCN1)CCN(C1CCN(c3ccc4c(c3)CCC4)CC1)CC2 1506430197 YMMOHCAVMUVAFD-UHFFFAOYSA-N 381.564 3.526 10 50 GHCA c1csc(CN2CCC[C@@H](NC3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1 820414922 DATGMWRAYJCCPX-GOSISDBHSA-N 399.560 3.700 10 50 GHCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1F)N2 217686140 RLKOYHOLVHMMLV-PZPWOCDFSA-N 398.409 3.996 10 50 GHCA O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 4719226 ZOFWDZIWSFGHMI-UHFFFAOYSA-N 397.839 3.916 10 50 GHCA CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCN(c2ccncc2)CC1 1875268596 MBTLCONTCBZERK-UHFFFAOYSA-N 379.504 3.589 10 50 GHCA COc1ccc(OCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 5102380 PKHGTXCIAYEUJW-ATVHPVEESA-N 387.482 3.642 10 50 GHCA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 799797 FWKXOPVGLUZCPY-GOSISDBHSA-N 384.867 3.673 10 50 GHCA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 3832801 WMFFQMZACQSCLH-UHFFFAOYSA-N 391.448 3.880 10 50 GHCA CCN1C(=O)/C(=C/c2ccc(I)cc2)SC1=S 1188887 XSRWVUMFQOOZHV-YFHOEESVSA-N 375.256 3.512 10 50 GHCA COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1O 4011437 NPJIBUAAPPAVSB-DHDCSXOGSA-N 388.426 3.715 10 50 GHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 19850623 PNRHJDVXRCZVRA-NRFANRHFSA-N 383.511 3.621 10 50 GHCA CN(C1=NC(=O)/C(=C2/C(=O)N(C)c3ccccc32)S1)c1ccc(Cl)cc1 15016800 UJJUOAUCUAMGGF-NXVVXOECSA-N 383.860 3.793 10 50 GHCA CCCCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(O)=NC1=S 2813436 HPUWPTLVBACEAI-FOWTUZBSSA-N 398.444 3.653 10 50 GHCA CN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4)coc23)CC1 19359808 TYFNOINQPUWVQT-UHFFFAOYSA-N 384.863 3.566 10 50 GHCA biogenic O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccn1 8315349 CZKNMUIYWUQMIL-RKQKHZQPSA-N 395.509 3.868 10 50 GHCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C(=O)NC2=S)cc1 2878825 RNAGMMKYUYYYFQ-LFIBNONCSA-N 386.860 3.570 10 50 GHCA Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 1186447 DUKKKAKUOKSVGI-MHWRWJLKSA-N 384.482 3.541 10 50 GHCA CCCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 1779695 FWPUMAJDXGZWED-XNTDXEJSSA-N 395.502 3.550 10 50 GHCA O[C@@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 12602790 CVEUBCXSZVJWSJ-GOSISDBHSA-N 390.326 3.620 10 50 GHCA Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)O)c2)SC1=S 3003578 LMKLIEIJPCWWHF-YBEGLDIGSA-N 385.466 3.864 10 50 GHCA Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)c2C)c1 154454647 PPTVFXAKGFHJKT-UHFFFAOYSA-N 375.428 3.986 10 50 GHCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2Br)c1 7497000 FTQZEAWGVJJKCE-UHFFFAOYSA-N 391.265 3.547 10 50 GHCA Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc(Br)cc1 4706802 RCMSWEPEXRUTTJ-ZSOIEALJSA-N 376.279 3.995 10 50 GHCA Nc1ccc(CCNC(=O)CSCc2ccc(Br)cc2F)cc1 225468596 HEEIOZPSXFWUNE-UHFFFAOYSA-N 397.313 3.763 10 50 GHCA COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c2C)cc1 252515325 ISUYDTONBIAMGW-CEWLAPEOSA-N 382.504 3.988 10 50 GHCA O=C(O)COc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1 3000989 FZANMGCHCNTAJS-DHDCSXOGSA-N 389.429 3.695 10 50 GHCA O=C1Nc2ccc(Cl)cc2/C1=C1/SC(=S)N(Cc2ccco2)C1=O 2909725 MRDLZEONEJRASZ-SEYXRHQNSA-N 376.846 3.657 10 50 GHCA COc1ccnc(CNC(=O)c2ccc(-n3c(C)cc(C(C)=O)c3C)cc2)c1 218978639 KCTXIEDKQFONPG-UHFFFAOYSA-N 377.444 3.630 10 50 GHCA CCCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1OC 15746679 ZAMOHVQOKWBVCH-MKVLZVNKSA-N 395.502 3.548 10 50 GHCA C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)C[C@@H](C)O1 4614661 UCXZZOXSGKTSOF-WMNKIYBBSA-N 381.295 3.529 10 50 GHCA CCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 2103071 IBSWYWFRZRNCFM-NWDGAFQWSA-N 379.478 3.633 10 50 GHCA CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C)C3=O)c2C)cc1 2375745 NGEXFGDNIDSZHU-GZTJUZNOSA-N 384.457 3.937 10 50 GHCA COc1ccc(OC)c([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 253427580 NGBLTNHUIGOFNL-SFHVURJKSA-N 392.411 3.994 10 50 GHCA Cc1cccc(-n2c(C)cc(C(=O)N3CCC([C@H]4OCCC[C@H]4N)CC3)c2C)c1 818011094 VMXPNSALZABPET-DHIUTWEWSA-N 395.547 3.761 10 50 GHCA COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 638318 BGGIEISHQIWAFQ-ZDLGFXPLSA-N 391.423 3.909 10 50 GHCA CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3ccccc3C)C2=O)c2ccccc21 3196716 HHLRHQSIGLQIKA-MSUUIHNZSA-N 394.477 3.664 10 50 GHCA CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 1139940 ZGDGOTJJCYDFKM-LFIBNONCSA-N 384.482 3.740 10 50 GHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1 13573512 OKXNMPXLDOABQU-BOPFTXTBSA-N 398.509 3.931 10 50 GHCA COc1ccc(N2CCC(NCCN3CC[C@H](c4ccccc4)C3)CC2)cc1 824678969 DGVKINXEUTVDGZ-NRFANRHFSA-N 379.548 3.743 10 50 GHCA Cc1c(O)c(CN(C)C)cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc12 4531307 CKHNSMOSKONTRL-UHFFFAOYSA-N 375.428 3.721 10 50 GHCA Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C1CC1 1133455 WJLKOSWEKXVHGR-LICLKQGHSA-N 397.862 3.755 10 50 GHCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(Br)cc1 15658575 VUQMMYJQLFDHKR-YBEGLDIGSA-N 385.217 3.953 10 50 GHCA COc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@H](C(=O)O)CC3)c2C)c1 1875354285 SYVSEWYQMOQTCG-DLBZAZTESA-N 384.476 3.866 10 50 GHCA Cc1ccc(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 793994 UIXBPJVFKXJIDJ-UHFFFAOYSA-N 375.475 3.570 10 50 GHCA CCC(CC)COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 596454 NUXNRTFTHROJJF-SFHVURJKSA-N 375.538 3.525 10 50 GHCA CCCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1OC 2585556 CAKUFSYVAPMYMA-RVDMUPIBSA-N 395.502 3.550 10 50 GHCA Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1C 4980354 UTLSNXSHWQOXQS-UHFFFAOYSA-N 377.462 3.806 10 50 GHCA O=C(c1ccco1)N1CCCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 952985838 HREUZZSSMMHRTD-UHFFFAOYSA-N 393.531 3.585 10 50 GHCA COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1215099 FSJQEJIEKOUJCC-NTEUORMPSA-N 391.210 3.668 10 50 GHCA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 1188772 AQNVWCXDNVGWIF-SFHVURJKSA-N 384.867 3.673 10 50 GHCA COc1cccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c1O 6407519 IWSXJMLCBZSJJW-UHFFFAOYSA-N 388.895 3.583 10 50 GHCA CN1/C(=C/C=C2/SC(=S)N(CCC(=O)O)C2=O)C(C)(C)c2ccccc21 4782588 JVWYTZGULFPUKA-VOMDNODZSA-N 388.514 3.517 10 50 GHCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1 2597244 NWKBKECMAQEQBT-SDNWHVSQSA-N 380.560 3.788 10 50 GHCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)cc1 4465188 QDDFYLVPAQGIBI-MLPAPPSSSA-N 384.775 3.884 10 50 GHCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 12406669 FBAYGSFZMKQHFB-YBEGLDIGSA-N 379.372 3.910 10 50 GHCA COc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 13124185 ICUTYELDIHZELF-BQGMYUGNSA-N 399.493 3.592 10 50 GHCA CCOc1cc(OCC)c(/C=C2\SC(=S)NC2=O)cc1Br 15010472 DPIZIGDQDINNQI-SDQBBNPISA-N 388.308 3.735 10 50 GHCA CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N(C)C1=S 1176864 FLDBXJZQJSRQRN-UHFFFAOYSA-N 395.267 3.852 10 50 GHCA COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 4151041 OGGQNYWGOZRBAW-UHFFFAOYSA-N 388.895 3.855 10 50 GHCA COc1ccc(OC)c([C@@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)c1 1506401561 MXGNWEGUMNHBBZ-OAHLLOKOSA-N 384.476 3.752 10 50 GHCA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 1196150 SYGTWLXVSHCVNS-IAOKNECISA-N 396.270 3.845 10 50 GHCA Cc1noc(C)c1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2754977 ZVBZHDNKDAZLSK-UHFFFAOYSA-N 391.471 3.833 10 50 GHCA COc1ccc([C@]2(c3ccc(O)cc3O)C[C@@H](c3ccco3)NC(=S)N2)cc1 1072534 KXWJJGUWUDIHFH-UWJYYQICSA-N 396.468 3.552 10 50 GHCA CC(=O)N1C(=O)/C(=C2\SC(Nc3cccc(C)c3C)=NC2=O)c2ccccc21 5521741 DCZKIMFSQNTEFM-ZCXUNETKSA-N 391.452 3.649 10 50 GHCA COC(=O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 1237727 YHGBWGBIXILYIW-BOPFTXTBSA-N 399.493 3.640 10 50 GHCA COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 14010715 NDVDCAQGOMRTMP-UYRXBGFRSA-N 386.407 3.823 10 50 GHCA CCCc1nnc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)s1 1903388 GCDZLOGFULRTBJ-UHFFFAOYSA-N 379.441 3.809 10 50 GHCA Cc1c(CCNC(=O)[C@@H]2Cc3ccccc3CN2C)c2cccc3c2n1CCC3 670465096 AZBKWTCTSOCEEI-QHCPKHFHSA-N 387.527 3.611 10 50 GHCA Cc1ccc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)o1 15836332 RKTADGAEHCYLEY-QPEQYQDCSA-N 381.240 3.726 10 50 GHCA COc1ccc(N2CCN(C[C@@H](O)COc3cc(C)ccc3C(C)C)CC2)cc1 20109727 UBUIZNZBQZBQCO-OAQYLSRUSA-N 398.547 3.689 10 50 GHCA Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2 3871859 DRCMAZOSEIMCHM-UHFFFAOYSA-N 376.909 3.617 10 50 GHCA biogenic,in-vivo CCOc1ccc(N2C(=O)/C(=C3/C(=O)N(C)c4ccccc43)SC2=S)cc1 1297995 CAPNWMNNWLWSTB-MSUUIHNZSA-N 396.493 3.838 10 50 GHCA Cc1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1C 1773964 ZDROWCLOGMUCLM-UHFFFAOYSA-N 391.448 3.880 10 50 GHCA CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)cc1 4916959 FKOMMLUYPNLZQC-RPKGUNMRSA-N 377.473 3.906 10 50 GHCA O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/C=C/c1ccccc1 14011069 DWKJOMUITFWORA-MBXCTOFRSA-N 397.228 3.672 10 50 GHCA COc1ccc(O)c(CN(C)CC2CCN(CCc3ccccc3F)CC2)c1 12429285 ZJTFQFBSNOVULI-UHFFFAOYSA-N 386.511 3.926 10 50 GHCA CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 239174090 PGIBQQKMAPFGKC-WHQNNVSFSA-N 385.508 3.748 10 50 GHCA Oc1ccccc1[C@@H]1c2nc[nH]c2CCN1Cc1c[nH]nc1-c1ccc(F)cc1 67934810 QMELLOGBBQXORY-JOCHJYFZSA-N 389.434 3.792 10 50 GHCA COc1ccc(N2CCC(N3CCC[C@@H](CCC(=O)N4CCCC4)C3)CC2)cc1 39387710 JRPYTPFYHAQWOM-FQEVSTJZSA-N 399.579 3.779 10 50 GHCA COc1ccc2c3c(n(-c4ccc(O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 824764627 SYXVMDMNDVPXPL-UHFFFAOYSA-N 399.402 3.925 10 50 GHCA biogenic COc1cccc(O)c1CN(C)C[C@H]1CCCN(CCc2ccccc2F)C1 12745241 GVDYIAASCDTDHX-GOSISDBHSA-N 386.511 3.926 10 50 GHCA CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(CC)c3C)C(=O)NC2=S)cc1 2830533 LDBOFENLMPMJGP-LDADJPATSA-N 381.501 3.519 10 50 GHCA CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)O1 1060618 YXCAXARLFFEEJQ-UHFFFAOYSA-N 377.736 3.728 10 50 GHCA CC1CCN(C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 5094200 CKLSKBTYGOPXOY-SDNWHVSQSA-N 380.560 3.598 10 50 GHCA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 13062620 UFWMPQNXIXEGJU-XQQFMLRXSA-N 391.489 3.655 10 50 GHCA O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nccs1 975296 FMPNGEMSWHKMKG-QBFSEMIESA-N 389.527 3.763 10 50 GHCA CCOc1cc(Br)cc(/C=C2\SC(=S)N(CC)C2=O)c1O 1161165 CEMDJWHGLLUYHB-WDZFZDKYSA-N 388.308 3.775 10 50 GHCA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 5020616 UFWMPQNXIXEGJU-UPJWGTAASA-N 391.489 3.655 10 50 GHCA CCN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)SC1=S 1162542 LCRFINXVPDKHHO-SDQBBNPISA-N 388.308 3.687 10 50 GHCA Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 4952458 ADVMFJNIQLFCPI-ATVHPVEESA-N 389.367 3.625 10 50 GHCA COc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(N2CCOCC2)c1 4708417 GAMCCTYOJBSLPS-UHFFFAOYSA-N 380.366 3.803 10 50 GHCA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc(O)c1O 253412678 RRXKDSUOCXUGIA-UHFFFAOYSA-N 377.356 3.660 10 50 GHCA biogenic O=C1c2cccc(O)c2C(=O)c2c(OC(=O)[C@@H]3C[C@H]3c3ccccc3)cccc21 5003652 RALBSMPFIOXCGQ-DLBZAZTESA-N 384.387 3.877 10 50 GHCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 658321 LRTXGQIRTUIELX-SFQUDFHCSA-N 392.411 3.917 10 50 GHCA CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 1160842 YOAQPZVESJVYII-XFFZJAGNSA-N 388.308 3.687 10 50 GHCA O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1 1172093 MBYPQVDTGQJKOE-RCCKNPSSSA-N 398.418 3.932 10 50 GHCA CCCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 2771420 WIPJEVNJTPDMLZ-HMMYKYKNSA-N 393.487 3.783 10 50 GHCA COc1ccc(C(=O)[C@H]2CCCN(Cc3c(O)cccc3OC)C2)cc1OC 11815897 AEUXFRBKTCGNTK-INIZCTEOSA-N 385.460 3.513 10 50 GHCA CN(C)c1ccc(C2=CCN(C(=O)c3cccc(Oc4cnccn4)c3)C2)cc1 378545590 USUCTZJGKSXIQI-UHFFFAOYSA-N 386.455 3.874 10 50 GHCA CN1CCN(c2ccc(CNC(=O)CCc3cccc4ccccc34)cc2)CC1 67338883 OSQISIWRONLNHG-UHFFFAOYSA-N 387.527 3.841 10 50 GHCA Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@H]([C@@H]4C[C@@H](N)CCO4)C3)c2C)c1 846690784 SPIBNWXHVFURRL-JTAQYXEDSA-N 395.547 3.761 10 50 GHCA COc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 4982690 JVVHPNKRXXLKBZ-GDNBJRDFSA-N 386.795 3.975 10 50 GHCA COc1ccc(N2CCC(N3CCC(CCC(=O)N4CCCC4)CC3)CC2)cc1 11820868 BNDHNHUFCLLJAM-UHFFFAOYSA-N 399.579 3.779 10 50 GHCA COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1O 4524151 QSOOPSNAHBPBQP-QPEQYQDCSA-N 386.791 3.559 10 50 GHCA CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2cccnc2)cc1 4757650 NYHZJCDTTQDWIM-UHFFFAOYSA-N 398.470 3.707 10 50 GHCA O=C(c1ccc(OC2CCN(Cc3ccccc3O)CC2)cc1)N1CCCC1 12050062 BOELPFTZFAJDAL-UHFFFAOYSA-N 380.488 3.672 10 50 GHCA CC1=NN(c2ccccc2)C(=O)/C1=C1/C(=O)Nc2ccc(Br)cc21 13689142 OANRGMPHFRLJNE-FOCLMDBBSA-N 382.217 3.578 10 50 GHCA CC(C)NC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1O 14973248 UDCQCGXRKXNCJQ-MOPGFXCFSA-N 388.508 3.791 10 50 GHCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCc1ccc(Cl)cc1 17747833 DXLAHTVUVJKSSW-PDGQHHTCSA-N 384.823 3.687 10 50 GHCA COc1cccc(CN(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c1O 11838577 YPZJHCDEJFVXIO-IBGZPJMESA-N 386.511 3.926 10 50 GHCA COc1ccc(N2CCC(N(C)C[C@@H]3Cc4ccccc4CN3C)CC2)cc1 952982304 GMWRWVSXIACHMO-QHCPKHFHSA-N 379.548 3.653 10 50 GHCA O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccs1 4086359 RIHJVVHRLYBWEP-UHFFFAOYSA-N 392.461 3.650 10 50 GHCA CN1CCN(c2ccc(CNC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 71375471 POKWLUWIXABNMP-UHFFFAOYSA-N 377.532 3.567 10 50 GHCA CN(C1=NC(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)S1)c1ccc(Cl)cc1 4998329 XFFZDIAJERPFCH-PFONDFGASA-N 387.823 3.908 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 657304 JNQIBYMAVCCBHB-UYRXBGFRSA-N 380.419 3.769 10 50 GHCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC[C@@H](C)C3)ccc12 4196973 PZXITPODVAZOPN-CQSZACIVSA-N 381.428 3.592 10 50 GHCA COCCCn1c(N=N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 27646605 FCSPEKABVJVYEG-UHFFFAOYSA-N 380.452 3.956 10 50 GHCA in-vitro O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 903141 GOIPAJDVCSPIHE-FOWTUZBSSA-N 399.834 3.590 10 50 GHCA COc1ccc(CN2C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)SC2=S)cc1 4949455 QHNMRHNFZSBQTA-MDWZMJQESA-N 376.415 3.598 10 50 GHCA CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)cc1 12411724 PNCQPGNSQYOCGR-RGEXLXHISA-N 390.512 3.520 10 50 GHCA O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1nccs1 16183789 CWLWDIRXNNJTAB-XFXZXTDPSA-N 393.490 3.512 10 50 GHCA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1210279 HMQYKMLRXIXARI-CNYBTUBUSA-N 387.457 3.723 10 50 GHCA Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cccs3)C(=O)N=C2S1 4865685 PQPWLJGDTBQDDL-NXHHHXCLSA-N 382.470 3.755 10 50 GHCA CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 17885128 DGRDQCHLFHIKGP-ATVHPVEESA-N 383.411 3.728 10 50 GHCA CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c1O 15011125 HPMRLNWFYJULSV-MLPAPPSSSA-N 382.463 3.556 10 50 GHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1Cl 1178864 VACFMHSDJXTPRC-WUXMJOGZSA-N 391.210 3.674 10 50 GHCA CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 12413849 TYRNLDGETXLMHF-XDHOZWIPSA-N 387.439 3.944 10 50 GHCA COC(=O)c1cccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)c1 1066908 RSNZUSAICBITNA-UHFFFAOYSA-N 388.379 3.648 10 50 GHCA Cc1ccccc1N1C(=O)N=C(O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O 1192557 RVXUWRSMXZKHEE-UJHPFZFGSA-N 377.356 3.966 10 50 GHCA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1Cl 665463 BDJOXNKASGDNGC-UHFFFAOYSA-N 376.217 3.532 10 50 GHCA O[C@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 12602793 CVEUBCXSZVJWSJ-SFHVURJKSA-N 390.326 3.620 10 50 GHCA COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1C(=O)c1ccccc1 39161486 NORMSRFGHVKNJL-NRFANRHFSA-N 375.424 3.819 10 50 GHCA COc1ccc(N2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)cc1 20321334 MRICIZJQTSTVBV-UHFFFAOYSA-N 375.472 3.823 10 50 GHCA Oc1cccc(C2CCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)c1 1506419697 IXWAVTGADSTJGS-UHFFFAOYSA-N 380.488 3.969 10 50 GHCA CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(OC)c2O)CC1 4725504 MSYSHVIDABQNAX-UHFFFAOYSA-N 382.504 3.662 10 50 GHCA COc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 1236396 ICUTYELDIHZELF-QRYYFKOISA-N 399.493 3.592 10 50 GHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 1173969 KSMSAZUYLGEKPG-QGOAFFKASA-N 391.814 3.797 10 50 GHCA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C(=O)OC)C1 239403305 RSSRWUKYZJVTQJ-FRRDWIJNSA-N 393.505 3.879 10 50 GHCA c1csc(CN2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)c1 952960426 VNKCAMMPWGTUHH-UHFFFAOYSA-N 399.560 3.654 10 50 GHCA COc1ccc(CCN2CCC[C@H](CN(C)Cc3ccc(OC)cc3O)C2)cc1 11754026 BRSWGPNEVYKSIC-HXUWFJFHSA-N 398.547 3.796 10 50 GHCA COc1ccc([C@H](NC(=O)C(C)C)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 12381914 RUEYMBHMDRYCAS-SFHVURJKSA-N 395.415 3.719 10 50 GHCA Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1 693934 IJVSJWRGHYXNIJ-XMHGGMMESA-N 387.464 3.617 10 50 GHCA CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 966866 IJBPVOAGCXNHQE-YBEGLDIGSA-N 384.482 3.857 10 50 GHCA CC(C)C1=NN2C(=N)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 1185250 VHGZNRZYVOZKDT-OVGWVUCOSA-N 383.260 3.974 10 50 GHCA Cc1nn([C@H](C)c2nc(-c3ccc(-n4cccc4)cc3)no2)c(C)c1[N+](=O)[O-] 1423482 IFJFWUILXZIWJH-CQSZACIVSA-N 378.392 3.858 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 4524876 DTJNVQIJGTVLNT-YBEGLDIGSA-N 399.830 3.931 10 50 GHCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)[nH]1 1014252 AARFMUWXIQJMTP-WUXMJOGZSA-N 394.283 3.770 10 50 GHCA COc1ccc(N2CCC(NCCN3CC[C@@H](c4ccccc4)C3)CC2)cc1 824678970 DGVKINXEUTVDGZ-OAQYLSRUSA-N 379.548 3.743 10 50 GHCA COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Cl)c1O 5034509 JGPNMRDRBDATOL-AUWJEWJLSA-N 386.791 3.559 10 50 GHCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1F)N2 217686058 RLKOYHOLVHMMLV-WIEQDCTASA-N 398.409 3.996 10 50 GHCA CN(Cc1nnc(-c2ccccc2)o1)C1CCN(c2ccc3c(c2)OCO3)CC1 952962188 ANPFYWBIZKPVEE-UHFFFAOYSA-N 392.459 3.566 10 50 GHCA CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 4701873 QQXQGNPOHNNPGG-NSHDSACASA-N 381.494 3.879 10 50 GHCA CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 1137946 XINZFLXOMLCNSS-FQEVSTJZSA-N 394.544 3.801 10 50 GHCA COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2 2748387 AMPUZJDFTNGAOY-NWDGAFQWSA-N 379.478 3.633 10 50 GHCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC3)C2=O)cc1 1168281 BVKGGWAJMHHLKX-VKAVYKQESA-N 388.558 3.853 10 50 GHCA O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cccs1 657179 YTMGVGLVYQSCEK-JXMROGBWSA-N 383.281 3.886 10 50 GHCA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 2208669 LBJWOFLODUDDOT-QGOAFFKASA-N 391.814 3.797 10 50 GHCA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6133310 HMQYKMLRXIXARI-YLQKULKDSA-N 387.457 3.723 10 50 GHCA COc1ccc(N2CCC(N(C)CCc3nc4ccc(OC)cc4[nH]3)CC2)cc1 1506406916 KMFKZWQAXMUSNR-UHFFFAOYSA-N 394.519 3.723 10 50 GHCA O=C1N=C(S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])s1 9333997 LRIBAOKNLVTAQP-XFFZJAGNSA-N 393.833 3.552 10 50 GHCA COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 13564079 MVJCFKUGJDLHCT-PXNMLYILSA-N 391.470 3.707 10 50 GHCA COC(=O)c1ccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)o1 1184844 SRLXYNILVQRYKH-UHFFFAOYSA-N 380.352 3.913 10 50 GHCA Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc(C)n(-c2ccccc2)c1C 123167479 YJBHWCDEHAYCJY-UHFFFAOYSA-N 390.487 3.886 10 50 GHCA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 15658854 QEOPFNYANBFPHM-ZSOIEALJSA-N 385.763 3.753 10 50 GHCA CN1CCC(c2cccc(NCc3ccc(N4CCN(C)CC4)cc3)c2)CC1 2325872461 YVGGMHHLWLQILD-UHFFFAOYSA-N 378.564 3.860 10 50 GHCA COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 2174717 IECBZYLFMOFUQB-YVLHZVERSA-N 397.814 3.915 10 50 GHCA COc1cccc(OCCOc2ccccc2/C=C2/SC(=S)NC2=O)c1 2966212 CRMFXTYCNCTQPO-GZTJUZNOSA-N 387.482 3.642 10 50 GHCA COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 4838680 PLXAIJJIWQHOTB-DHDCSXOGSA-N 388.426 3.715 10 50 GHCA CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 170604535 JUJNNTKDUMNASK-UHFFFAOYSA-N 388.855 3.529 10 50 GHCA CCN1C(=O)/C(=C\c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)SC1=S 4652228 YZUDZDTUPGJYFM-OQLLNIDSSA-N 390.442 3.988 10 50 GHCA COc1ccc(O)c(CN2CCC3(CC2)C[C@H]3C(=O)Nc2cccc(F)c2)c1 11964873 MXAGIWXXMQDRAL-IBGZPJMESA-N 384.451 3.781 10 50 GHCA CC(=O)c1ccc(N2CCN(Cc3cc(Br)ccc3O)CC2)cc1 55292199 WQUDTDOGHHUGDH-UHFFFAOYSA-N 389.293 3.680 10 50 GHCA COc1ccccc1/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 13576657 URPNZLDYZKVEOI-UHVIJJLKSA-N 399.493 3.592 10 50 GHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(C(F)(F)F)c3)C2=O)cc1C 1186665 NJLGEVSDMQZBNL-MHWRWJLKSA-N 388.345 3.989 10 50 GHCA CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C1/C(=O)Nc2ccccc21 13381964 CJRATXGHEDFZSV-FOCLMDBBSA-N 382.217 3.578 10 50 GHCA O=C1c2cccc(O)c2C(=O)c2c(OC(=O)[C@H]3C[C@@H]3c3ccccc3)cccc21 5003651 RALBSMPFIOXCGQ-SJORKVTESA-N 384.387 3.877 10 50 GHCA COc1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1OC 2873350 GUGKZZCJXZJTGZ-IBGZPJMESA-N 380.444 3.819 10 50 GHCA biogenic O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(Cc2ccccc2)CC1 55433289 CCWDECXWVMFELC-UHFFFAOYSA-N 382.463 3.784 10 50 GHCA COc1cc2c(cc1OC)CN(Cc1cc(Br)ccc1O)CC2 4988964 OXFXWAARWGCHIQ-UHFFFAOYSA-N 378.266 3.730 10 50 GHCA Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](c1ccccc1F)[C@@H](C)O 1300255504 GXJLARPACOUFKL-ZHRRBRCNSA-N 394.446 3.898 10 50 GHCA CC(C)n1c([C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)nc2ccccc21 1293989326 VGGCPSHHFSXVLY-GOSISDBHSA-N 379.460 3.935 10 50 GHCA CCOCc1cc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)ccc1OC 12304440 LUAPCLLUHBRDPM-FQEVSTJZSA-N 392.503 3.980 10 50 GHCA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2cccc(OC)c2O)C1 14949402 XIGCUNPIAMJICU-QHCPKHFHSA-N 383.488 3.789 10 50 GHCA Oc1ccc2c(oc3c(-c4ccc5c(c4)OCCO5)c4cn[nH]c4nc32)c1O 217728714 ACEOJLYHHFGPIY-UHFFFAOYSA-N 375.340 3.707 10 50 GHCA biogenic Cc1cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3N)CC2)c(C)n1-c1ccc(F)cc1 818009863 CMJWWOOEUGGPMX-FCHUYYIVSA-N 399.510 3.592 10 50 GHCA Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O 1142731 QQEOYQUFAQVVQE-GXDHUFHOSA-N 395.871 3.961 10 50 GHCA COc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 973059 BKZRQBWZMKOFQC-UHFFFAOYSA-N 391.430 3.528 10 50 GHCA CCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OCC 16212901 QBFFZLBCKAKVKX-DTVMNVQKSA-N 390.505 3.564 10 50 GHCA CCN(CC)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 1198923 HCEODGKXFBQXOK-HXUWFJFHSA-N 394.544 3.964 10 50 GHCA Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)c1C 225432680 VHHVGZHOCGMHFG-PGRDOPGGSA-N 392.503 3.644 10 50 GHCA CN(C)c1ccc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 16116121 PJJVEPDMFBFKNJ-APSNUPSMSA-N 376.243 3.521 10 50 GHCA COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1 54105890 FIYNLSFCNZNCDR-UHFFFAOYSA-N 378.472 3.741 10 50 GHCA biogenic COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc12 12420209 MSDQEWXQAWPSIE-AQTBWJFISA-N 388.448 3.680 10 50 GHCA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 799798 FWKXOPVGLUZCPY-SFHVURJKSA-N 384.867 3.673 10 50 GHCA CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)c2C1 713778 CPBFVXVCPWBDCR-UHFFFAOYSA-N 394.496 3.947 10 50 GHCA CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 13801924 HSGQNLPDTACCRP-AQTBWJFISA-N 378.384 3.862 10 50 GHCA COc1ccc(CN2C(=O)N=C(O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 8972002 JPCWPWYDAMTLCD-LICLKQGHSA-N 375.384 3.679 10 50 GHCA COc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 55561955 PMZYYBSICYWFBY-UHFFFAOYSA-N 384.867 3.721 10 50 GHCA COc1ccc(N2CCN(C(=S)Nc3cccc(OC(F)F)c3)CC2)cc1 795721 RZHVVNXFSPJJOE-UHFFFAOYSA-N 393.459 3.816 10 50 GHCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(Br)o1 1775964869 JAELMTJFCSLUEX-MDWZMJQESA-N 375.178 3.546 10 50 GHCA Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3C(C)(C)C)C(=O)NC2=S)c1 1133480 JKQBOFBDHYDVKE-SFQUDFHCSA-N 381.501 3.691 10 50 GHCA CCCCOc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 7496746 SDHZMLLHPQNXDL-UHFFFAOYSA-N 384.476 3.963 10 50 GHCA O=c1cc(CN(Cc2ccco2)Cc2ccccc2O)c2ccc(O)cc2o1 176789343 UFAHMZZKBWNABS-UHFFFAOYSA-N 377.396 4.000 10 50 GHCA C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)o3)cc2)C1 216236590 PVXDOLNLJGUPTB-QGZVFWFLSA-N 378.476 3.691 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 1192180 XFBPFLOVVPXCLR-IBGZPJMESA-N 398.894 3.981 10 50 GHCA COc1cccc(CN2CCN(C/C=C/c3ccc(N(C)C)cc3)CCC2=O)c1 14999353 MOXBCNJVZVOLJW-FNORWQNLSA-N 393.531 3.509 10 50 GHCA COc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc[nH]3)CC2(C)C)cc1 77485199 HPTWDXCYQQZUKU-UHFFFAOYSA-N 390.487 3.826 10 50 GHCA COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCCC4)c23)cc1OC 218085166 AXLOOEFWOIWEAX-UHFFFAOYSA-N 381.428 3.982 10 50 GHCA biogenic COc1cccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3cccs3)C2)c1O 170615287 ZQUQTJGLOCCPAM-KRWDZBQOSA-N 399.516 3.626 10 50 GHCA C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)C[C@H](C)O1 4614662 UCXZZOXSGKTSOF-UDDXXMGHSA-N 381.295 3.529 10 50 GHCA O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccccc1 1221216 YXFHMCBOGNKSAG-YBEGLDIGSA-N 379.466 3.714 10 50 GHCA COc1cc(OC)cc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)c1 170615735 YHLDSIVAPPSQRI-IBGZPJMESA-N 392.411 3.994 10 50 GHCA CCOc1ccc(C2=C/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)O2)cc1 1202383 HUWZVXLMQRDIAM-DHDCSXOGSA-N 397.383 3.992 10 50 GHCA CC[C@H](C)N1C(=O)/C(=C/c2cc3c4c(c2)CCCN4CCC3)C(O)=NC1=S 1240047 DKASVHITOBKZRI-VLURKWGBSA-N 383.517 3.651 10 50 GHCA N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC=C(c3ccccc3)N12 13785680 QRZHBNVAYOVIBJ-FIZBDXDJSA-N 375.409 3.720 10 50 GHCA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2cccc(OC)c2O)C1 14949399 XIGCUNPIAMJICU-HSZRJFAPSA-N 383.488 3.789 10 50 GHCA CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)O1 1185735 YMLZOMNPIWWXKZ-UHFFFAOYSA-N 384.384 3.891 10 50 GHCA CC(C)(C)n1nnnc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 766040342 MBWCIZKEDNPURD-INIZCTEOSA-N 398.536 3.763 10 50 GHCA CCOC(=O)[C@H]1CCCCN1Cc1cc(-c2cc(OC)ccc2OC)ccc1O 12127800 WJHNBSWMDAJKBB-HXUWFJFHSA-N 399.487 3.994 10 50 GHCA Cc1cc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(C)n1-c1ccccn1 820537312 RGFZRNOSTQTXKU-PMACEKPBSA-N 386.499 3.698 10 50 GHCA COc1cc(OC)cc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 225496074 GWLNWFIJSMSBIF-IBGZPJMESA-N 392.411 3.994 10 50 GHCA COc1ccc(N2CCN(Cc3cc(=O)oc4c(C)cc(C)cc34)CC2)cc1 54105887 VYJUVFKOSQEBON-UHFFFAOYSA-N 378.472 3.741 10 50 GHCA biogenic CCN1C(=O)/C(=C\C=C2\SCCN2CCc2ccccc2)SC1=S 19912028 VKSRNPAPESYEEW-BVXMOGEKSA-N 376.572 3.883 10 50 GHCA OCC[C@H]1CN(Cc2c(O)ccc3ccccc23)CCN1Cc1ccc(F)cc1 23358030 HPAHXJQSTSDATJ-NRFANRHFSA-N 394.490 3.753 10 50 GHCA Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 13533975 MPCOFJBVUXUPAX-SFQUDFHCSA-N 397.525 3.607 10 50 GHCA c1ccc(-n2ncc3c2ncn2nc(-c4ccc(-n5cccc5)cc4)nc32)cc1 2802698 RFFZZLADSOVPJY-UHFFFAOYSA-N 377.411 3.921 10 50 GHCA CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O 4687784 MRSMYWHKGJPIBN-GZTJUZNOSA-N 384.457 3.937 10 50 GHCA CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 5067705 FZGBEUAERNFIJU-YVLHZVERSA-N 399.878 3.662 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 1185797 JHOTZIFZBXHVEJ-FQEVSTJZSA-N 394.544 3.801 10 50 GHCA COc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)ccc1O 13058267 MLBIXYSBUNQOPP-DHDCSXOGSA-N 387.438 3.505 10 50 GHCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1cccc(Br)c1 15723338 XTVGPQCYOHVBHL-SXGWCWSVSA-N 385.217 3.953 10 50 GHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCC2 5093928 SKOBCJANFQIDRJ-QWHCGFSZSA-N 391.489 3.798 10 50 GHCA CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OCC 16212898 QBFFZLBCKAKVKX-JXIDHOQNSA-N 390.505 3.564 10 50 GHCA Cc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 1211878 NQSFRABFSKRKNC-XNTDXEJSSA-N 399.244 3.732 10 50 GHCA CCN1CCc2cc(CNC(=O)c3c[nH]c4ncc(Br)cc34)ccc21 2325854873 ZSPSBNUYDRXVJO-UHFFFAOYSA-N 399.292 3.638 10 50 GHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Cl)cc1 2892788 VKGZTEVOMHJBMV-ZROIWOOFSA-N 392.267 3.737 10 50 GHCA O=C(c1ccccc1OC1CCN(Cc2ccccc2O)CC1)N1CCCC1 11753419 UDWFQXXXTATTMZ-UHFFFAOYSA-N 380.488 3.672 10 50 GHCA CN(C)c1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)O)cc1 1296410 KWOGVNJDORJLAR-CXUHLZMHSA-N 379.243 3.915 10 50 GHCA COc1cccc(N2C(=O)N=C(O)/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c1 8994469 AIGFYEPWDRGOOW-BOPFTXTBSA-N 375.384 3.992 10 50 GHCA COc1ccc(N2CCN(CCCNc3ccnc4c(C)ccnc34)CC2)cc1 2325872121 JFUVLTNXOSRVOO-UHFFFAOYSA-N 391.519 3.571 10 50 GHCA Cc1nc(-c2cccc(NS(=O)(=O)c3cc(F)cc(F)c3O)c2)oc1C 328596089 RXRRJGYCOLABRF-UHFFFAOYSA-N 380.372 3.743 10 50 GHCA COc1cccc(O)c1CN(C)C[C@@H]1CCCN(CCc2ccccc2F)C1 12745236 GVDYIAASCDTDHX-SFHVURJKSA-N 386.511 3.926 10 50 GHCA O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nccs1 16764722 OJBIPNGSSCVXDR-XFFZJAGNSA-N 395.918 3.636 10 50 GHCA C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4ccncc4)n[nH]3)cc2)C1 97515062 NEWXGOVAJWLDEM-INIZCTEOSA-N 375.476 3.638 10 50 GHCA Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)ccc1Br 328589796 FQKUQDJAHLEEGP-UHFFFAOYSA-N 378.194 3.542 10 50 GHCA c1cncc(CN2CCC[C@@H](NC3CCN(c4ccc5c(c4)CCC5)CC3)C2)c1 1506421146 YIDMTOLAGFGHQK-XMMPIXPASA-N 390.575 3.793 10 50 GHCA O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccc2O)CC1 14962309 MTUTUMOOBBIXFD-UHFFFAOYSA-N 390.487 3.607 10 50 GHCA COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCCc1ccccc1 1124734 GKCLKTMSXMXTFE-UHFFFAOYSA-N 382.412 3.536 10 50 GHCA Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccncc1 16267077 OSIOXDQPLDGMAV-UDWIEESQSA-N 390.418 3.721 10 50 GHCA CN(C)c1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 4706976 ITQQCAAENBWXJW-GAGNZYIBSA-N 389.484 3.614 10 50 GHCA Cc1cccc(N2CCN(CN3C(=O)/C(=C/c4ccco4)SC3=S)CC2)c1 19795211 OYSFKYLDMGCQMO-AQTBWJFISA-N 399.541 3.569 10 50 GHCA Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 1147318 IAPKMAAREITIMS-MHWRWJLKSA-N 395.871 3.961 10 50 GHCA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 1196147 SYGTWLXVSHCVNS-HRYODUOUSA-N 396.270 3.845 10 50 GHCA N=C1/C(=C/c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC=CN12 4906732 QPSYKSOQYUOYTQ-OTLVRQKTSA-N 393.399 3.822 10 50 GHCA C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)COC4=O)cc2)C1 96140838 YJNHPWNBWRNMBI-HNNXBMFYSA-N 379.460 3.915 10 50 GHCA COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1OC 217822151 HZFWEWVHYVNGSL-UHFFFAOYSA-N 377.356 3.953 10 50 GHCA biogenic O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1 5649281 LBNFBZKJINTBOD-RIYZIHGNSA-N 377.625 3.564 10 50 GHCA COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 13369925 GNMJOFFRWYNQLM-VBKFSLOCSA-N 390.370 3.654 10 50 GHCA COc1ccc(N2CCN(CC(=O)n3c(C)c(C)c4ccccc43)CC2)cc1 35851992 KBVKBNZINZORBV-UHFFFAOYSA-N 377.488 3.729 10 50 GHCA COc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 1127775 ANBBVGJYRFXYCT-UHFFFAOYSA-N 376.456 3.576 10 50 GHCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1 2302513 KKMKLEKTAPBYFP-GXDHUFHOSA-N 390.511 3.684 10 50 GHCA CCOc1cc(/C=C2/C(=O)N(c3ccccc3C)C(=S)N=C2O)ccc1O 1299852 KSRMNXKLEPFIBM-GXDHUFHOSA-N 382.441 3.771 10 50 GHCA COc1ccc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 2618129 RORUBICXZYXRER-UHFFFAOYSA-N 377.488 3.848 10 50 GHCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\Nc1ccc(Cl)cc1 4983719 LRKLZUNILLTGKW-XFXZXTDPSA-N 376.199 3.572 10 50 GHCA O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780416827 RVBJDZLWCIJVAZ-UHFFFAOYSA-N 399.450 3.770 10 50 GHCA CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Br)SC1=S 976716 YEHVQTKYNVUELF-SDQBBNPISA-N 388.308 3.687 10 50 GHCA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc(N3CCCCC3)cc2)cn1 328638969 PHRLZNMZSWRXLT-IRLDBZIGSA-N 381.524 3.843 10 50 GHCA COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@@H](C(=O)O)CC3)c2C)cc1 1875353770 FUHHQBGOWIBYFM-SJORKVTESA-N 384.476 3.866 10 50 GHCA CCOc1cccc(/C=C2/C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)c1 1172495 KQODWKRQEJYFAL-MHWRWJLKSA-N 381.344 3.500 10 50 GHCA O=C(O)c1cccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 2987944 RADCHQLYGNHSHT-RIYZIHGNSA-N 386.410 3.699 10 50 GHCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc2c1OCO2 217718807 HIBVUNCNAGGQBD-UHFFFAOYSA-N 391.339 3.673 10 50 GHCA biogenic COc1cc([N+](=O)[O-])cc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c1O 239338661 KXCWQDNTZPHYMT-UYAOXDASSA-N 389.496 3.538 10 50 GHCA CCN1CC[C@H](CN(CC)C(=O)c2ccc3c(c2)c2c(n3CC)C(=O)CCC2)C1 952981787 NUHYZGWDDYVBQD-KRWDZBQOSA-N 395.547 3.984 10 50 GHCA Cc1ccc(C2=NC(=O)/C(=C/c3c(C)n(C)n(-c4ccccc4)c3=O)S2)cc1 3035494 ATGBJWSZGFQHKD-UYRXBGFRSA-N 389.480 3.854 10 50 GHCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 5010286 FFAONVWNCQONAF-PDGQHHTCSA-N 389.367 3.625 10 50 GHCA COc1ccccc1/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 13576655 URPNZLDYZKVEOI-ZKMNFCBKSA-N 399.493 3.592 10 50 GHCA COc1ccccc1CCN1CCC[C@H](CN(C)Cc2c(O)cccc2OC)C1 14969092 XQXXXFPQHYNAJI-LJQANCHMSA-N 398.547 3.796 10 50 GHCA O=C(NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1ccccc1Cl 16672867 MDIKVIAGMVIASR-NTEUORMPSA-N 390.873 3.592 10 50 GHCA COc1cc(OC)cc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 225496110 GWLNWFIJSMSBIF-LJQANCHMSA-N 392.411 3.994 10 50 GHCA COc1ccc(O)c(CN2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)c1 15004920 MNFVWNMDQVUUCX-NQIIRXRSSA-N 386.536 3.794 10 50 GHCA C[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 2677793 ONPNDEQACZJUMX-ICDILTBESA-N 380.494 3.996 10 50 GHCA COc1ccccc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 1786536 URPNZLDYZKVEOI-YHZJOHHESA-N 399.493 3.592 10 50 GHCA CCCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1OCC 16212916 DZOMRSLSQFMPRA-VBKFSLOCSA-N 381.519 3.722 10 50 GHCA OCC[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCN1Cc1ccccc1 23153320 OLASGLNQQDUOEV-OAQYLSRUSA-N 376.500 3.614 10 50 GHCA CCc1ccccc1N1C(=O)/C(=C/c2ccc(N(CC)CC)o2)C(=O)NC1=S 1186439 ZFNCLGWFRNJEBG-DTQAZKPQSA-N 397.500 3.520 10 50 GHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 19850620 PNRHJDVXRCZVRA-OAQYLSRUSA-N 383.511 3.621 10 50 GHCA CN(Cc1cc(Br)cc(Br)c1O)C1CCC(N)CC1 170597529 NHGWMSVFHALQOB-UHFFFAOYSA-N 392.135 3.619 10 50 GHCA CCS(=O)(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 118352592 YKPMPFVAQYLDFF-UHFFFAOYSA-N 383.473 3.535 10 50 GHCA CCCCc1n[nH]c2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@H]3C=CC[C@H]31)CC2 19742706 DBIZCBPSBRHLTL-ZDPZECHZSA-N 376.504 3.791 10 50 GHCA COc1cccc(O)c1CN(C)CC1CCN(CCc2cccc(F)c2)CC1 11879852 CBZFNRHYODWMPM-UHFFFAOYSA-N 386.511 3.926 10 50 GHCA N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(c3cccs3)=NN12 4872540 ZTNSNTCWMQDUPU-RFCLUPQTSA-N 377.454 3.897 10 50 GHCA CC1CCN(CC(=O)N2N=C(c3ccccc3O)C[C@@H]2c2cccs2)CC1 241684830 QFNMTDHEZFMCNI-GOSISDBHSA-N 383.517 3.863 10 50 GHCA CCCCc1cc(=O)oc2c(CN[C@@H](Cc3ccccc3)C(=O)O)c(O)ccc12 206166208 SFOHVNOYPYRRLD-IBGZPJMESA-N 395.455 3.627 10 50 GHCA COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4525709 YRZPNULKQNAGAT-ZDLGFXPLSA-N 391.423 3.597 10 50 GHCA COCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OC)SC1=S 2976054 IGFXMXGAGOWDNR-WDZFZDKYSA-N 378.302 3.850 10 50 GHCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 1174670 DZWCAVIQLACTJD-MDWZMJQESA-N 391.210 3.668 10 50 GHCA CCN(CC)C(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1214413 RWAQWSVRGLWVKX-SSZFMOIBSA-N 392.546 3.545 10 50 GHCA CC(=O)Nc1ccc([C@H]2c3[nH]cnc3CCN2Cc2cc(C)ccc2O)cc1 67885666 WGTGETUUEAWHGB-QFIPXVFZSA-N 376.460 3.530 10 50 GHCA Cc1c(C(=O)N2CCN(c3ccc(F)cn3)[C@@H](C)C2)n(C)c2c(C)cccc12 1857668524 UMBBBBQJIGRNQG-HNNXBMFYSA-N 380.467 3.680 10 50 GHCA O=C(c1ccoc1)N1CCCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506419118 XVPMVIXOXHDJEQ-UHFFFAOYSA-N 393.531 3.585 10 50 GHCA CCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 2911679 UUOOFLRGKXQGHH-QGZVFWFLSA-N 382.445 3.955 10 50 GHCA CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1OC 15746678 ZAMOHVQOKWBVCH-SAIXKJTDSA-N 395.502 3.548 10 50 GHCA CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1O 13802125 YODPCLRMCSOXOI-AQTBWJFISA-N 393.439 3.977 10 50 GHCA CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 2969258 AWYCNYSLLONIDF-NTCAYCPXSA-N 384.819 3.795 10 50 GHCA CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)c(O)c1 17138362 UEZJPCACURQJFR-PTNGSMBKSA-N 397.406 3.884 10 50 GHCA COC(=O)[C@@H](Cc1ccc(O)cc1)Nc1ccccc1C(=O)c1ccccc1 38987876 NORMSRFGHVKNJL-OAQYLSRUSA-N 375.424 3.819 10 50 GHCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 15799906 XQJANDOWXUXFJA-GZTJUZNOSA-N 398.509 3.795 10 50 GHCA CCc1ccccc1N1C(=O)/C(=C/c2cccn2C(C)(C)C)C(=O)NC1=S 30803247 FMLLHBOZGJQOGE-DTQAZKPQSA-N 381.501 3.637 10 50 GHCA Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@H]([C@H]4C[C@@H](N)CCO4)C3)c2C)c1 846690787 SPIBNWXHVFURRL-SXWKCWPCSA-N 395.547 3.761 10 50 GHCA COC(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 1145290 FUGRDEYIJCVKOR-BOPFTXTBSA-N 399.493 3.883 10 50 GHCA Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C 1219485 GMJSEXYFGNBLAV-XYOKQWHBSA-N 392.242 3.615 10 50 GHCA COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 1161732 PHUQUBXTAVKICK-PXNMLYILSA-N 397.814 3.946 10 50 GHCA CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 1114033 JQVNMIXFWKEYQJ-FQEVSTJZSA-N 378.476 3.636 10 50 GHCA COc1ccc([C@H](NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1OC 869262 YJRRXUGZZNAGQS-SFHVURJKSA-N 386.835 3.837 10 50 GHCA C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)COC4=O)cc2)C1 96140837 YJNHPWNBWRNMBI-OAHLLOKOSA-N 379.460 3.915 10 50 GHCA O=C1C[C@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)CN1Cc1ccccc1 1506395095 CBNPLIMSAHQYFE-QHCPKHFHSA-N 389.543 3.535 10 50 GHCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CC4=CCCCC4)C3)CC2)cc1 12387832 CJNSXIZMQCHPLZ-JOCHJYFZSA-N 397.563 3.699 10 50 GHCA COc1ccc(N2CCC(N3CC[C@H](Cc4cccc(CO)c4)C3)CC2)cc1 92019844 OLBYYBGZZFMJNC-HXUWFJFHSA-N 380.532 3.721 10 50 GHCA Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-] 4313683 XREYIWKAKJDYRS-UHFFFAOYSA-N 386.363 3.931 10 50 GHCA CCn1c(/C=C2/C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O 32618002 IWNGRNLEIYYYTB-GXDHUFHOSA-N 396.244 3.672 10 50 GHCA Cc1cc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c(C)n1-c1ccccn1 820537311 RGFZRNOSTQTXKU-BGYRXZFFSA-N 386.499 3.698 10 50 GHCA COc1ccc(N2CCC(N(C)C[C@H]3Cc4ccccc4CN3C)CC2)cc1 952982300 GMWRWVSXIACHMO-HSZRJFAPSA-N 379.548 3.653 10 50 GHCA O=C(c1cc(Cl)c2c(c1)OCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1 170623973 YRFRLQLBRCDFMQ-HNNXBMFYSA-N 389.835 3.596 10 50 GHCA CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=S)NC3=O)c2C)c1 1178781 CBFXFFWSPHQLJU-MHWRWJLKSA-N 386.498 3.760 10 50 GHCA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)c1 4976935 AXCXDQTWMFCUFZ-UHFFFAOYSA-N 378.793 3.908 10 50 GHCA CCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 31849056 FETUUSLUZVLSPQ-PNZWKLPWSA-N 394.412 3.674 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccs1 681188 HEUMLELVBKUANX-PTNGSMBKSA-N 385.441 3.643 10 50 GHCA CCc1cc(=O)n(CN2CCCc3cc(OC)ccc32)nc1-c1ccccc1 840032437 OXJDAKPEOFUCCN-UHFFFAOYSA-N 375.472 3.892 10 50 GHCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 5059043 QTKWNUWIULLIRQ-KPKJPENVSA-N 393.251 3.530 10 50 GHCA COc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2)cc1OC 1463806 PVYDRMXIVHTQDK-ZDUSSCGKSA-N 377.238 3.611 10 50 GHCA biogenic C[C@H]1CN(C2=NC(=O)/C(=C\c3cccc(Br)c3)S2)C[C@H](C)O1 4754895 LLFMTYDCNKDIDJ-UDDXXMGHSA-N 381.295 3.529 10 50 GHCA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC)C1 5476644 RSSRWUKYZJVTQJ-AGIUHOORSA-N 393.505 3.879 10 50 GHCA COc1ccc(N2CCC(N3CC[C@@H](Cc4cccc(CO)c4)C3)CC2)cc1 92019851 OLBYYBGZZFMJNC-FQEVSTJZSA-N 380.532 3.721 10 50 GHCA O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc2c(c1)OCO2 220982078 UGTLGKQEDFSDOE-VIZOYTHASA-N 386.410 3.729 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 898004 RHNCHLDEYVDGHB-BOPFTXTBSA-N 382.347 3.611 10 50 GHCA Cc1ccc(N(Cc2ccccc2O)C2=NS(=O)(=O)c3ccccc32)cc1 1461771 RHPYKYOAJYUYLS-UHFFFAOYSA-N 378.453 3.856 10 50 GHCA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H]2C)cc1 239338894 LJSNHZXUZXRBAV-DJKXOVBDSA-N 385.508 3.893 10 50 GHCA CCc1cccc(CC)c1N/C=C1/C(=O)NC(=S)N(c2ccccc2C)C1=O 2990344 VVHUNVNZNUCKRB-LGMDPLHJSA-N 393.512 3.864 10 50 GHCA CC[C@@H](C)[C@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 4026503 DWLSLOKNTKMQTC-XCLFUZPHSA-N 381.428 3.755 10 50 GHCA biogenic COC(=O)COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 5798243 AXCHZRHSKGTLIT-WWMYMODYSA-N 379.412 3.763 10 50 GHCA COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc(OC)c1OC 13547680 OHVAIHPVLHIYLX-VBKFSLOCSA-N 376.478 3.559 10 50 GHCA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S 1806842 YXNAFKSTVBIXPB-JFBXQDQPSA-N 375.496 3.645 10 50 GHCA COc1ccc(N2CC3(CN(C(=O)CCc4nc5ccccc5s4)C3)C2)cc1 2100554906 HFZRQZLHZRIWKP-UHFFFAOYSA-N 393.512 3.586 10 50 GHCA CCOc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1O 1179501 UTPUOHDPKJRNIU-QGZVFWFLSA-N 382.504 3.880 10 50 GHCA Oc1cccc(CN2CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)CC2)c1 1506409234 GJLZOQVZBUWGAB-UHFFFAOYSA-N 391.559 3.668 10 50 GHCA COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)c2C)cc1 170636961 ISUYDTONBIAMGW-TYPHKJRUSA-N 382.504 3.988 10 50 GHCA CN(C)c1ccc(/C=C\C2=[N+](C)c3cc(S(=O)(=O)O)ccc3C2(C)C)cc1 4774825 OCINYYMJADUXGT-UHFFFAOYSA-O 385.509 3.719 10 50 GHCA O=[N+]([O-])c1ccccc1Sc1cc(O)c(O)c2ccc(S(=O)(=O)O)cc12 3086345 JLEJNMVVBKUDIQ-UHFFFAOYSA-N 393.398 3.557 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 8741165 HGQBMEQNQCCPON-HXUWFJFHSA-N 394.544 3.801 10 50 GHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 5727310 YWSCJWUUMPSIIH-NWDGAFQWSA-N 379.478 3.632 10 50 GHCA CCOc1ccccc1N1CCN(Cc2cc(Br)ccc2O)CC1 4980436 UCAPMRQYMUPNRB-UHFFFAOYSA-N 391.309 3.876 10 50 GHCA CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 1505519 ITVKTXKTHISNKR-WJDWOHSUSA-N 384.482 3.857 10 50 GHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 1192638 QZANPHGZCVRPOS-AQTBWJFISA-N 395.846 3.607 10 50 GHCA CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 12412880 NJBKCFLXUVWCAM-GHXNOFRVSA-N 389.202 3.573 10 50 GHCA Oc1ccccc1CN1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 20135003 AGSSPYZOABCNFG-NRFANRHFSA-N 385.939 3.832 10 50 GHCA CN(C)c1ccc(CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 170622923 DNCFZZMZPIPXGA-UHFFFAOYSA-N 390.365 3.751 10 50 GHCA COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 6179791 JWQDYWSEMAUTKI-CYBMUJFWSA-N 387.457 3.611 10 50 GHCA COC(=O)COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 4758262 AXCHZRHSKGTLIT-FVJLSDCUSA-N 379.412 3.763 10 50 GHCA Oc1ccccc1CN1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 20542977 BBTIWIMVYGAAID-UHFFFAOYSA-N 386.499 3.660 10 50 GHCA CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1 22171036 VTJZPPYYGFPRCQ-DTQAZKPQSA-N 397.525 3.874 10 50 GHCA COC(=O)c1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(OC)cc1 920197 RJQCKDKULHLQCY-UHFFFAOYSA-N 379.412 3.957 10 50 GHCA COC(=O)c1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1 217901089 ZTKMHMVKKVZWLE-UHFFFAOYSA-N 375.340 3.722 10 50 GHCA biogenic COc1cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc(OC)c1OC 17015547 RSUKLBPOHBYYOR-NTEUORMPSA-N 396.399 3.528 10 50 GHCA CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 1192759 IOCDFCKTUPJQFP-RGEXLXHISA-N 377.444 3.508 10 50 GHCA COc1cc2c(cc1/C=C1\SC(=S)N(CCc3ccccc3)C1=O)OCO2 15011217 AIIJJKCDOGRKEG-ZDLGFXPLSA-N 399.493 3.868 10 50 GHCA C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1 68462509 XBEJJXFQHDCSHB-KRWDZBQOSA-N 396.512 3.716 10 50 GHCA CCN1C(=O)/C(=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 1002914 SOAMCMXNEAVLNU-MSUUIHNZSA-N 396.493 3.838 10 50 GHCA CN(C)c1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)N=C2O)cc1 16267060 LEEHWKOCBIRMNI-LFIBNONCSA-N 383.835 3.908 10 50 GHCA COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2 2748389 AMPUZJDFTNGAOY-RYUDHWBXSA-N 379.478 3.633 10 50 GHCA Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 1134951 KJXXJPCYTPQLKR-DHZHZOJOSA-N 376.890 3.850 10 50 GHCA COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 2174034 PFRHTNIOHQELCG-PDGQHHTCSA-N 377.396 3.570 10 50 GHCA Cc1cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3N)CC2)c(C)n1-c1ccc(F)cc1 818009865 CMJWWOOEUGGPMX-VXKWHMMOSA-N 399.510 3.592 10 50 GHCA COc1ccc([C@]2(c3ccc(O)cc3O)C[C@H](c3ccco3)NC(=S)N2)cc1 1072539 KXWJJGUWUDIHFH-UTKZUKDTSA-N 396.468 3.552 10 50 GHCA O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)NCc1ccccc1 882769 ZUWUIGKFBJCFIX-UHFFFAOYSA-N 392.440 3.800 10 50 GHCA CCN1C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N(CC)C1=S 1158177 QQDSEZACXVUURN-UHFFFAOYSA-N 396.468 3.528 10 50 GHCA COc1ccc(N2CC3(CN(Cc4c[nH]nc4-c4ccc(F)cc4)C3)C2)cc1 2100555388 TXQWTQXXKJBUOV-UHFFFAOYSA-N 378.451 3.547 10 50 GHCA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(Cl)cc(Cl)c2O)N1 754319 AKQJKFSWUKPUMJ-HOCLYGCPSA-N 377.227 3.869 10 50 GHCA O=C1NC(=O)C(=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1 1168722 IBDFZJUSRSAQNR-UHFFFAOYSA-N 395.418 3.592 10 50 GHCA COc1ccccc1N1C(=O)N=C(O)/C(=C/c2cn(C)c3ccccc23)C1=O 8995107 VWFRDTYWSMYKIC-PTNGSMBKSA-N 375.384 3.694 10 50 GHCA biogenic C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)o3)cc2)C1 216236630 PVXDOLNLJGUPTB-KRWDZBQOSA-N 378.476 3.691 10 50 GHCA CCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 2103077 IBSWYWFRZRNCFM-NEPJUHHUSA-N 379.478 3.633 10 50 GHCA Cc1ccc(C)c(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 4289699 PEIRUDDLVWFUTA-UHFFFAOYSA-N 391.448 3.880 10 50 GHCA CN(C)c1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)cc1 100821173 COMSVUTXEQMBSD-KRWDZBQOSA-N 397.280 3.558 10 50 GHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 5727308 YWSCJWUUMPSIIH-RYUDHWBXSA-N 379.478 3.632 10 50 GHCA CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 13601327 GPDFFOCCLHBRME-VBKFSLOCSA-N 384.482 3.632 10 50 GHCA Cc1cc(C(=O)Nc2cncc(-c3nncn3C)c2)c(C)n1-c1cccc(F)c1 162322200 OVMAORQLWFRYJX-UHFFFAOYSA-N 390.422 3.676 10 50 GHCA COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)c(OC)c1 217597305 SSLYXMZYYWMVTK-UHFFFAOYSA-N 377.356 3.953 10 50 GHCA biogenic Cn1c(-c2cc3ccc(O)c(CN4CCCC4)c3oc2=O)nc2ccccc21 1155881 PKQHRMASFBIBTR-UHFFFAOYSA-N 375.428 3.648 10 50 GHCA biogenic Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)c1 4672589 BNQUEGZWZRWXQO-SDQBBNPISA-N 391.210 3.674 10 50 GHCA CC(C)n1c([C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)nc2ccccc21 1293989329 VGGCPSHHFSXVLY-SFHVURJKSA-N 379.460 3.935 10 50 GHCA CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(C)C1=S 1180511 JQLJJXUFHNRFMD-UHFFFAOYSA-N 395.267 3.852 10 50 GHCA COC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 4833331 LOVBHJROPUEUIZ-CXUHLZMHSA-N 399.449 3.608 10 50 GHCA O=C(O)COc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 13517380 UPIDMWRRSQWOBA-MHWRWJLKSA-N 385.466 3.551 10 50 GHCA CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(C)C1=O 1050303 IKPXSRBMIPCSIF-UHFFFAOYSA-N 379.199 3.687 10 50 GHCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 4725417 PZSVSCJRFXKGKO-YERBQUFUSA-N 391.412 3.571 10 50 GHCA Cc1c(C(=O)N2CCN(c3ccc(F)cn3)[C@H](C)C2)n(C)c2c(C)cccc12 1857668525 UMBBBBQJIGRNQG-OAHLLOKOSA-N 380.467 3.680 10 50 GHCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)CC4=CCCCC4)C3)CC2)cc1 12387833 CJNSXIZMQCHPLZ-QFIPXVFZSA-N 397.563 3.699 10 50 GHCA Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 13774753 XTNJBRGCUWBAPR-YBEGLDIGSA-N 379.803 3.796 10 50 GHCA CCCCc1n[nH]c2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@H]3C=CC[C@@H]31)CC2 42451651 DBIZCBPSBRHLTL-ULYRPOKDSA-N 376.504 3.791 10 50 GHCA COc1ccc(O)c(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)c1 12431561 NCHCWGQDFPHLEN-UHFFFAOYSA-N 386.511 3.926 10 50 GHCA Nc1ccc(CC(=O)N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1 1506401127 CCZJGLKVZPDIOU-DEOSSOPVSA-N 377.532 3.716 10 50 GHCA Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c(C)n1-c1ccccc1 828145190 KGBDXQFTEBJLIZ-SFHVURJKSA-N 391.471 3.722 10 50 GHCA O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 1186232 ZFKNCNVXZQVOLD-GZTJUZNOSA-N 394.333 3.891 10 50 GHCA CCc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)s2)C(=O)NC1=S 4819586 GTJLLMBUXAFLPA-XFXZXTDPSA-N 376.890 3.795 10 50 GHCA CCOc1ccc(NC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 4007420 ZOVIZNAKTIEMAO-UHFFFAOYSA-N 386.407 3.695 10 50 GHCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1 1181265 OINVQDVVQWTWJM-WOJGMQOQSA-N 384.395 3.959 10 50 GHCA OCC[C@H]1CN(Cc2c(O)ccc3ccccc23)CCN1Cc1ccccc1 19836274 OLASGLNQQDUOEV-NRFANRHFSA-N 376.500 3.614 10 50 GHCA COc1ccc(C(=O)c2c(C)oc3ccc(O)c(CN4CCOCC4)c23)cc1 22779736 PHQWMFMQIDLFFL-UHFFFAOYSA-N 381.428 3.519 10 50 GHCA Cc1cc(C)c(O)c(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 67726134 WGCDTVMSEILGOJ-UHFFFAOYSA-N 377.444 3.686 10 50 GHCA CC1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 1218107 MHOMSORAFNFTOU-QINSGFPZSA-N 394.587 3.988 10 50 GHCA COc1ccc(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1 4191049 NCNFFXUXRAHXOY-UHFFFAOYSA-N 380.517 3.905 10 50 GHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1 8656974 WWKPVMLLNAWGCL-QINSGFPZSA-N 383.498 3.620 10 50 GHCA Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1Cl 4558679 NBEXAEYARUBYDV-FMQUCBEESA-N 378.816 3.763 10 50 GHCA Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O 3873982 ZINRVIQBCHAZMM-UHFFFAOYSA-N 381.023 3.569 10 50 GHCA in-vitro COc1ccc(CN(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c(O)c1 11844404 MAVFNTMNDCBJRJ-LJQANCHMSA-N 386.511 3.926 10 50 GHCA COc1ccc(CCN(Cc2c(O)cccc2OC)CC2CCN(C)CC2)cc1 12442107 XGECCFBJXOTJKX-UHFFFAOYSA-N 398.547 3.796 10 50 GHCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 1137293 LDNKAVNDMOXAQE-OVCLIPMQSA-N 381.844 3.653 10 50 GHCA C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 10113289 FOBHNMUUQNDEIH-HNNXBMFYSA-N 390.936 3.974 10 50 GHCA O=C(C(=O)c1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 2028824 YRWRYDUHVFXAHA-UHFFFAOYSA-N 396.034 3.846 10 50 GHCA CCOC(=O)[C@H](C)Oc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 842821 CSSPIWQNJFMNBN-LBPRGKRZSA-N 383.356 3.699 10 50 GHCA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@H](C)C2 13062621 UFWMPQNXIXEGJU-YNEHKIRRSA-N 391.489 3.655 10 50 GHCA COc1ccc([C@@H](NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1OC 869263 YJRRXUGZZNAGQS-GOSISDBHSA-N 386.835 3.837 10 50 GHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(C)s4)C3)CC2)cc1 20166474 QCKRXYZFRYXNEK-HXUWFJFHSA-N 385.577 3.852 10 50 GHCA Cc1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)c(C)n1-c1cccc(F)c1 124861521 CFVBQBNSDHKKDL-UHFFFAOYSA-N 389.434 3.744 10 50 GHCA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(Cl)cc(Cl)c2O)N1 754317 AKQJKFSWUKPUMJ-GOEBONIOSA-N 377.227 3.869 10 50 GHCA Cc1cc(=O)c(O)c(-c2[nH]c(-c3cccc(O)c3O)nc2-c2ccccc2)o1 1848443264 BNBLXPNYTOXNSI-UHFFFAOYSA-N 376.368 3.789 10 50 GHCA CCCc1ccc([C@H](C)NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 13323189 XDLBMVCWIOHUTF-IBGZPJMESA-N 395.547 3.647 10 50 GHCA O=C1c2cccc(O)c2C(=O)c2c(OC(=O)[C@H]3C[C@H]3c3ccccc3)cccc21 5003650 RALBSMPFIOXCGQ-IRXDYDNUSA-N 384.387 3.877 10 50 GHCA Cc1cc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)c(C)n1-c1ccccn1 130944705 MKZJZLPIMVZQID-UHFFFAOYSA-N 390.443 3.694 10 50 GHCA O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCCC1 1183338 MCYNEFYITFNDKG-NTCAYCPXSA-N 394.949 3.944 10 50 GHCA COc1ccc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)cc1 55543445 MIBWFFIQTFAIJR-UHFFFAOYSA-N 379.273 3.919 10 50 GHCA Cc1c(NCc2cc(Br)ccc2O)c(=O)n(-c2ccccc2)n1C 1175262 SCWXUMKLFWHDSP-UHFFFAOYSA-N 388.265 3.565 10 50 GHCA Cc1cccc(OCC2=NN3C(=N)/C(=C\c4ccc(C)o4)C(=O)N=C3S2)c1 3890171 FUINWPMMYFRHMH-KZUPQGAASA-N 380.429 3.595 10 50 GHCA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 170643825 DTYHIVRZCDFKQL-UHFFFAOYSA-N 396.878 3.939 10 50 GHCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)cc3)C2=O)c1 1206864 JHIXMTCZKCSBJZ-MHWRWJLKSA-N 399.244 3.732 10 50 GHCA COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 661039 XMGJHEMANGCLIB-QZRSKMOPSA-N 392.480 3.700 10 50 GHCA O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc(O)cc1 1471539 QGYVLCDPPVZLAJ-QGOAFFKASA-N 399.903 3.838 10 50 GHCA COc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 13124186 ICUTYELDIHZELF-WISAJEAXSA-N 399.493 3.592 10 50 GHCA CCOc1cccc(CN2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)c1O 15068693 DFVWPNPSPHGVAM-INIZCTEOSA-N 399.487 3.903 10 50 GHCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3CCC(C)CC3)ccc12 4747413 RNEXVMKFRNZAFB-UHFFFAOYSA-N 395.455 3.901 10 50 GHCA CCc1ccc(N2N=C(C)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1 5046730 XTOZDLHZXBXTAO-JWGURIENSA-N 375.472 3.892 10 50 GHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 5900760 GQOOZMOWOQJGAZ-XSFVSMFZSA-N 388.398 3.866 10 50 GHCA CCc1nnc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1C 194688136 CJYLHXOWSGSTNL-MRXNPFEDSA-N 383.521 3.712 10 50 GHCA COc1ccc(N2CCC(N3CCC[C@H](OCc4ccccn4)C3)CC2)cc1 1506424252 ZOVRKXLPHZSULC-QHCPKHFHSA-N 381.520 3.740 10 50 GHCA O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1C1CCCCC1 15837440 RFVHEGZIAIFSQC-CHHVJCJISA-N 392.458 3.857 10 50 GHCA Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c1 1166365 VKSITPMEPIHXNV-PDGQHHTCSA-N 395.484 3.736 10 50 GHCA C[C@@H]1Cc2cc(/C=C3/C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)ccc2O1 13897548 DKYLXPXPXYCNBP-GJRQGDOSSA-N 389.238 3.778 10 50 GHCA CC(C)c1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 16213155 DEIODCKMINVTTP-UYRXBGFRSA-N 380.419 3.654 10 50 GHCA COc1ccc(N2CCC(N3CCC[C@H](CCC(=O)N4CCCC4)C3)CC2)cc1 39387709 JRPYTPFYHAQWOM-HXUWFJFHSA-N 399.579 3.779 10 50 GHCA COc1ccc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 15800387 IPYVNNMGZXEYMS-ATVHPVEESA-N 387.482 3.642 10 50 GHCA COCCn1c(C)cc(/C=C2\NC(=S)N(c3cccc(C)c3C)C2=O)c1C 153368896 NXBRSHMMRCOXGL-PDGQHHTCSA-N 383.517 3.630 10 50 GHCA COc1ccc(OCCOc2ccccc2/C=C2\SC(=S)NC2=O)cc1 15800693 SJFWPJOSKLKXGB-ATVHPVEESA-N 387.482 3.642 10 50 GHCA COc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)cc1 1124795 ZKMBFAITJSYZOR-UHFFFAOYSA-N 389.363 3.986 10 50 GHCA biogenic O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(O)cc1 759403 KQIQZWQPPDINEY-KPKJPENVSA-N 393.251 3.530 10 50 GHCA Oc1ccc(Br)cc1CN1CCN(Cc2cccc(F)c2)CC1 95220940 JSCXCNHLTGVPCN-UHFFFAOYSA-N 379.273 3.612 10 50 GHCA CCCCC1(CC(=O)OC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 3000259 DPHABMIJTRUVEF-UHFFFAOYSA-N 380.444 3.721 10 50 GHCA CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 15636900 GUSYMMLBLSXYLY-QJOMJCCJSA-N 399.494 3.840 10 50 GHCA COc1ccc(C[C@@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@H]2c2ccccc2)c(C)c1 104144497 JBKRZAPSJSQKRC-MSOLQXFVSA-N 380.404 3.945 10 50 GHCA Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 5260165 JRLOPDUBGLDLBX-UHFFFAOYSA-N 396.424 3.935 10 50 GHCA O=C1N=C(O)/C(=C\c2cnc(-c3ccccc3)nc2)C(=O)N1C1CCCCC1 3771810 VKOZIABZEIFGNX-GZTJUZNOSA-N 376.416 3.778 10 50 GHCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c2ccccc12 1066757 SCPJKZYVPFLXRO-QGOAFFKASA-N 386.407 3.823 10 50 GHCA COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 1161369 NNYIRRPJSCIWFL-UHFFFAOYSA-N 395.286 3.730 10 50 GHCA Cc1nn(C)c(NC(=O)Cc2ccc(N)cc2)c1-c1ccc(Br)cc1 170678004 RPEBFLUGXYETHN-UHFFFAOYSA-N 399.292 3.921 10 50 GHCA Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 1202014 VLEVQHHRRNMFAB-ATVHPVEESA-N 397.525 3.607 10 50 GHCA COc1ccccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)C(O)=NC1=S 1302431 XBXSMLAXYWZVGC-RVDMUPIBSA-N 391.452 3.859 10 50 GHCA COc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1Br 1185259 PQEWTDCFAPGLEK-UHFFFAOYSA-N 383.238 3.703 10 50 GHCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)cc3)C2=O)c1 1214274 QRODMFTYJGXFMP-XDHOZWIPSA-N 378.428 3.757 10 50 GHCA Cc1cc(C(=O)NCc2ccc(F)c(CN(C)C)c2)c(C)n1-c1ccccn1 115417488 DCYGGUZOXCVDSN-UHFFFAOYSA-N 380.467 3.620 10 50 GHCA Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)[nH]1 15837120 IOAIOWJCDWSYTP-CPSFFCFKSA-N 394.283 3.770 10 50 GHCA CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC 15822111 BZTMKVIYGAJALZ-GDNBJRDFSA-N 386.835 3.599 10 50 GHCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccn1 4746541 RWPFHTRNUIWMEW-ACCUITESSA-N 389.527 3.763 10 50 GHCA CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 6715985 XUJMWBNOTQXMPW-FQEVSTJZSA-N 388.895 3.855 10 50 GHCA C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4ccncc4)n[nH]3)cc2)C1 97515061 NEWXGOVAJWLDEM-MRXNPFEDSA-N 375.476 3.638 10 50 GHCA Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cccc1[N+](=O)[O-] 5092587 BYCWDWSYOKUKMJ-UHFFFAOYSA-N 386.363 3.931 10 50 GHCA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2cc(OC)ccc2O)C1 12571616 FJUGVUWMCSBHEL-HSZRJFAPSA-N 383.488 3.789 10 50 GHCA Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)c(Br)c1 9059100 IVMPSQAPIZZBLP-UHFFFAOYSA-N 375.178 3.607 10 50 GHCA COc1ccc(N2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)cc1 10113914 ZIIKNUXROBSEON-UHFFFAOYSA-N 393.531 3.644 10 50 GHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCCCC3)C2=O)cc1 13810258 MEYUYYUZDRTIMR-VKAVYKQESA-N 388.558 3.989 10 50 GHCA COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)SC2=S)cc1 16671530 BUEOAQGGUKGIOA-OQLLNIDSSA-N 388.426 3.715 10 50 GHCA Cc1cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3N)CC2)c(C)n1-c1ccc(F)cc1 818009866 CMJWWOOEUGGPMX-YADHBBJMSA-N 399.510 3.592 10 50 GHCA COc1ccc(CN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 1167736 REYLIOYJINMYGY-MFOYZWKCSA-N 385.466 3.825 10 50 GHCA COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc3ccccc23)C1=O 758184 RNHQMBAKSQVUCH-GHRIWEEISA-N 388.448 3.680 10 50 GHCA COc1ccc(C2=C/C(=C/c3ccc(I)o3)C(=O)O2)cc1 1199460 GKHUHVRMDQPMTO-FLIBITNWSA-N 394.164 3.874 10 50 GHCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCC 15685515 QYYJFCVUBSPYNK-XFFZJAGNSA-N 388.308 3.735 10 50 GHCA CN1CCN(Cc2c(O)ccc3cc(-c4ccc(Cl)cc4)c(=O)oc23)CC1 20426509 RKMPYXMVYPFPJJ-UHFFFAOYSA-N 384.863 3.566 10 50 GHCA biogenic O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc2c1C(=O)c1ccccc1C2=O 4613944 BWUJWCXKTWKYHJ-PKNBQFBNSA-N 397.386 3.843 10 50 GHCA CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 12412861 FSMXTXYEMXAQIB-XFFZJAGNSA-N 389.202 3.573 10 50 GHCA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@H](C)c2ccccc2O)ccc1F 1704302876 CRGPVFMSRHCYML-GFCCVEGCSA-N 399.422 3.752 10 50 GHCA CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 1189687 VETSEJOOKXRQPJ-SFHVURJKSA-N 384.867 3.673 10 50 GHCA C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)cc3)cc2)C1 72437701 NVNJGPBEOOAJBE-IBGZPJMESA-N 393.531 3.690 10 50 GHCA CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 4548179 MTHVSMCZGXHTMW-PNZWKLPWSA-N 394.412 3.674 10 50 GHCA CN1CCN(Cc2cc(CSc3ccccc3)c3cccnc3c2O)CC1 22147598 HCZHQNCCRKYOGR-UHFFFAOYSA-N 379.529 3.980 10 50 GHCA COc1ccc(N2CCCN(C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 229506985 HIMZRBGZZPIVCU-HXUWFJFHSA-N 394.437 3.960 10 50 GHCA COc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 1128331 XGNGQCDNURXXQF-PFONDFGASA-N 386.429 3.562 10 50 GHCA COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1 16182965 CXSNVYGPMHRGRJ-ATVHPVEESA-N 387.482 3.642 10 50 GHCA C[C@@H](NCCCc1ccnc(C(C)(C)C)n1)c1ccc(N2CCN(C)CC2)cc1 2325733816 GRGWGVMNBGZUGD-LJQANCHMSA-N 395.595 3.809 10 50 GHCA CCOc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1O 1179500 UTPUOHDPKJRNIU-KRWDZBQOSA-N 382.504 3.880 10 50 GHCA CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 16309469 VOWGCRNLFVBHDJ-JXAWBTAJSA-N 393.512 3.673 10 50 GHCA COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 1066969 MTYSLPMEMLAHCJ-QGOAFFKASA-N 386.407 3.823 10 50 GHCA Cc1c(C(=O)N(C)Cc2nc(O)c3ccccc3n2)n(C)c2ccc(F)cc12 426503419 FELAQGJNZUIOBT-UHFFFAOYSA-N 378.407 3.547 10 50 GHCA O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccs1 1178468 WEUKAZHFIQCUKB-GHXNOFRVSA-N 383.281 3.886 10 50 GHCA COc1ccc(O)c(CN2CCC3(CC2)C[C@@H]3C(=O)Nc2cccc(F)c2)c1 11964870 MXAGIWXXMQDRAL-LJQANCHMSA-N 384.451 3.781 10 50 GHCA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccccc1F 1024243 DAOSQSCQJNLLGL-CXUHLZMHSA-N 375.446 3.902 10 50 GHCA O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\c1cccc2ccccc12 1070393 SOOHHFKPYUPHAX-ZHZULCJRSA-N 388.398 3.683 10 50 GHCA CN(C)c1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 12437202 XEJKGIAGZWRRKJ-SILNSSARSA-N 392.528 3.545 10 50 GHCA O=c1oc2c(CN3CCOCC3)c(O)ccc2cc1-c1nc2ccccc2s1 19789421 WWGFPAXYGPAIKE-UHFFFAOYSA-N 394.452 3.608 10 50 GHCA biogenic Cc1c(CN)c(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)nn1C 852900325 VEBABXLDAKPECP-UHFFFAOYSA-N 379.508 3.970 10 50 GHCA CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)nc1 2325771057 CTFLZVCCXYBPSC-DLBZAZTESA-N 388.309 3.672 10 50 GHCA Cc1cc(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(C)n1-c1ccccn1 820537313 RGFZRNOSTQTXKU-WOJBJXKFSA-N 386.499 3.698 10 50 GHCA O=C(NCc1cc(Br)cc(Br)c1O)c1ccccc1 752032 OWQKOVGAVCGSTE-UHFFFAOYSA-N 385.055 3.847 10 50 GHCA CC[C@@H](C)N1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(O)=NC1=S 1146068 OYYBVVMXENNZOZ-PILJQMSFSA-N 398.444 3.651 10 50 GHCA COc1cc(N(C)C[C@@H](O)c2ccccc2Br)cc(OC)c1OC 154270954 LKOVKYLPRBCWMD-OAHLLOKOSA-N 396.281 3.645 10 50 GHCA CN(C)c1ccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 253417595 ARYQPMMITPKOFD-UHFFFAOYSA-N 391.437 3.729 10 50 GHCA CC1(C)[C@H]2CC[C@H]1[C@@H](O[C@@H]1CC(=O)C[C@@H]3C(=O)c4cccc(O)c4C(=O)[C@H]31)C2 169616669 NLLZPZMJMSXUEY-CFYCVDBCSA-N 382.456 3.576 10 50 GHCA CCc1cc(=O)oc2c(CN3CCc4cc(OC)c(OC)cc4C3)c(O)ccc12 170625298 ZXVWPQWIBGYAGE-UHFFFAOYSA-N 395.455 3.637 10 50 GHCA biogenic COc1ccc(N2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)cc1 1150187 WAPITSJRPMRXTQ-UHFFFAOYSA-N 390.936 3.931 10 50 GHCA CC[C@H](C)[C@@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 4026506 DWLSLOKNTKMQTC-RNODOKPDSA-N 381.428 3.755 10 50 GHCA biogenic COc1cccc(CN(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1O 11838579 YPZJHCDEJFVXIO-LJQANCHMSA-N 386.511 3.926 10 50 GHCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NC1CCCC1 13810415 QCQIWQFQYHCJCG-PTNGSMBKSA-N 394.949 3.990 10 50 GHCA Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)n1-c1ccccn1 914846154 BKPYSLIBRBJPGY-UHFFFAOYSA-N 378.451 3.591 10 50 GHCA O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C\c1ccccc1 20607129 BACVKJAHFUEWRO-RGEXLXHISA-N 381.476 3.614 10 50 GHCA COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@@H](C(=O)O)CC3)c2C)cc1 1875353768 FUHHQBGOWIBYFM-IAGOWNOFSA-N 384.476 3.866 10 50 GHCA COc1ccc([C@@]2(c3ccc(O)cc3O)C[C@H](c3ccco3)NC(=S)N2)cc1 1072536 KXWJJGUWUDIHFH-DYESRHJHSA-N 396.468 3.552 10 50 GHCA O=C1c2cccc(O)c2C(=O)c2c(OC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc21 5003653 RALBSMPFIOXCGQ-IAGOWNOFSA-N 384.387 3.877 10 50 GHCA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 1074375 NAFGSKSXIFGJNN-RGEXLXHISA-N 392.411 3.510 10 50 GHCA COc1cc([N+](=O)[O-])cc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c1O 239338659 KXCWQDNTZPHYMT-AZUAARDMSA-N 389.496 3.538 10 50 GHCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 1095359 NPVMAJPOEZXPGG-JXMROGBWSA-N 381.240 3.726 10 50 GHCA CCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O 2873371 YAYIASZMXDWVNI-FQEVSTJZSA-N 380.444 3.963 10 50 GHCA N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(C3CCCCC3)=NN12 4724302 SFBDCKHLMNVGPJ-TUQWILOLSA-N 382.445 3.615 10 50 GHCA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc4ccccc34)C2=O)cc1 5028687 RKLGYXVXOKGZCV-ZHZULCJRSA-N 386.407 3.905 10 50 GHCA CCN1C(=O)/C(=C\c2ccsc2)C(=O)N(c2ccc(Cl)cc2)C1=S 4738888 JIPMSNDGIHVNIU-NTEUORMPSA-N 376.890 3.965 10 50 GHCA COc1ccc(N2CCN(C(=O)c3cnc(-c4cccs4)nc3)[C@@H](C)C2)cc1 72423014 SNGKDMUUTWNFSM-HNNXBMFYSA-N 394.500 3.565 10 50 GHCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)o3)C2=O)c1C 1180398 MVIDNXXZGAWGFL-GHRIWEEISA-N 393.443 3.553 10 50 GHCA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 1187874 KYHGCBQIXPPJEM-SFQUDFHCSA-N 398.509 3.931 10 50 GHCA Cc1cccc(N2C(=O)/C(=C\c3cccc(OCC(=O)O)c3)SC2=S)c1 4819840 MVGWVSIVUOWXPR-MHWRWJLKSA-N 385.466 3.864 10 50 GHCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC(C)CC3)ccc12 4197351 LMNTXJXHDJBQAI-UHFFFAOYSA-N 381.428 3.592 10 50 GHCA CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c(CN(C)C)c1O 4755930 UIMKDHMERHEQAK-UHFFFAOYSA-N 389.455 3.975 10 50 GHCA CSc1ccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)cc1 218519554 UZPXTLBLCUIHHK-UHFFFAOYSA-N 383.469 3.924 10 50 GHCA O=c1c2ccc(C(F)(F)F)cc2nc2n1CCC2=Cc1cn(C2CCC2)nn1 1857529798 BUCABJLVOIOUPV-UHFFFAOYSA-N 387.365 3.676 10 50 GHCA CC[C@H](C)N1C(=O)/C(=C/c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)C(O)=NC1=S 1152566 IBDSBOTUXHCPGR-PFMRQGHBSA-N 386.433 3.650 10 50 GHCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c2ccccc12 1192802 MMEXGIYVHPONDV-CPNJWEJPSA-N 386.407 3.823 10 50 GHCA COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 4469774 ACGKPIWJDXSTQY-CXUHLZMHSA-N 399.449 3.608 10 50 GHCA COCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100375754 OKDNVFKVGHXGBT-JQIJEIRASA-N 392.484 3.557 10 50 GHCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 4821895 NARZMWRGRWQJPM-XFXZXTDPSA-N 377.252 3.825 10 50 GHCA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 96134158 VPLABWWWZXHFLG-OAQYLSRUSA-N 398.547 3.555 10 50 GHCA aggregator CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2-n2c(C)ccc2C)cc1 4050963 NQZPDVXWTFJBQM-UHFFFAOYSA-N 397.500 3.531 10 50 GHCA COc1ccc(N2CCC(NCCCSc3nnc(C)s3)CC2)cc1 952966924 GMUWFMABUOKYGC-UHFFFAOYSA-N 378.567 3.596 10 50 GHCA COc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C 4982679 SVYUZGYWSVPZNO-BOPFTXTBSA-N 380.404 3.939 10 50 GHCA CCOc1ccc(/C=C2\SC(=S)N(CN3CCCC3)C2=O)cc1OCC 334163278 NIYXFTMNTOTFFK-ATVHPVEESA-N 392.546 3.739 10 50 GHCA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 909693 SFSPIFZWINQRPM-FQEVSTJZSA-N 378.476 3.636 10 50 GHCA CC(=O)c1cc(C)n(-c2ccc(C(=O)N3C[C@@H](C)[C@](O)(C4CC4)C3)cc2)c1C 91737366 XROJFDSTEBKFHW-FATZIPQQSA-N 380.488 3.530 10 50 GHCA COc1cccc(-c2ccc(O)c(CNCCc3ccc(OC)c(OC)c3)c2)n1 14880528 BACCJHBQIDKPIW-UHFFFAOYSA-N 394.471 3.812 10 50 GHCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 974097 RDJKMVNGMRPGAI-NTUHNPAUSA-N 379.846 3.886 10 50 GHCA COc1cccc(-n2c(/C=C/c3ccc(O)c(O)c3)nc3ccccc3c2=O)c1 4827600 QEJLVHXLTGBOGR-ZRDIBKRKSA-N 386.407 3.976 10 50 GHCA O=C(O)CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 226089988 LOWRMFOZCMJCQZ-CKNLXJGOSA-N 382.847 3.981 10 50 GHCA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 5020621 UFWMPQNXIXEGJU-JHJVBQTASA-N 391.489 3.655 10 50 GHCA O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1 1216427 KSEWVAJJCIRFDQ-GHXNOFRVSA-N 395.615 3.703 10 50 GHCA COc1ccc(N2CCN(C[C@H](O)COc3cc(C)ccc3C(C)C)CC2)cc1 20109728 UBUIZNZBQZBQCO-NRFANRHFSA-N 398.547 3.689 10 50 GHCA CC[C@@H](C)N1C(=O)/C(=C/c2cc3c4c(c2)CCCN4CCC3)C(O)=NC1=S 1240045 DKASVHITOBKZRI-LVLBFHFTSA-N 383.517 3.651 10 50 GHCA CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)c(CN(C)C)c12 755626 UJYXJHAUJAVUPS-UHFFFAOYSA-N 382.460 3.891 10 50 GHCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4ccccc4c3)CC2)cc1 6399153 MWAPZPIJNUEKDI-GOSISDBHSA-N 390.483 3.965 10 50 GHCA COc1ccc(O)c(CN2CCC(CO)(Cc3ccccc3Cl)CC2)c1 12051987 MZNDREHFGMDDNR-UHFFFAOYSA-N 375.896 3.871 10 50 GHCA CCOC(=O)[C@@H]1CCCCN1Cc1cc(-c2cc(OC)ccc2OC)ccc1O 12127790 WJHNBSWMDAJKBB-FQEVSTJZSA-N 399.487 3.994 10 50 GHCA Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@H]([C@@H]4C[C@H](N)CCO4)C3)c2C)c1 846690786 SPIBNWXHVFURRL-MZKRTTBSSA-N 395.547 3.761 10 50 GHCA CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1 1205554 MZCRRZKRFBYGSA-YBEGLDIGSA-N 386.498 3.760 10 50 GHCA CN(C)c1ccc(CNC(=O)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 2290479 YYQBOSGLKBSTER-UHFFFAOYSA-N 396.437 3.583 10 50 GHCA N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC=NN12 4644061 GEGGLLPPGCAVMA-BGQXKEBWSA-N 380.404 3.654 10 50 GHCA CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(C(=O)c3ccccc3)coc12 4038704 IIXFNJQVQREYEM-UHFFFAOYSA-N 386.787 3.990 10 50 GHCA aggregator COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)C)c3C)C(=O)NC2=S)cc1 1160756 IHBNIZRKHNMYKG-WOJGMQOQSA-N 397.500 3.526 10 50 GHCA COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1O 12565160 MZAQEGZNQJSDIL-NVNXTCNLSA-N 387.438 3.505 10 50 GHCA CCOc1ccc(C(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 4623409 DRCRAHRBYMUQAP-UHFFFAOYSA-N 386.517 3.600 10 50 GHCA C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 5721082 ONPNDEQACZJUMX-WGKGOADCSA-N 380.494 3.996 10 50 GHCA COc1ccc(O)c(CN2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)c1 11818817 OEAGANQWIXJXEC-XMMPIXPASA-N 380.532 3.931 10 50 GHCA CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)c(Cl)c2)C1=O 4471868 JRBOOFMWWMZHCU-UVTDQMKNSA-N 384.819 3.577 10 50 GHCA O=C(Cc1ccccc1)NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1221219 VTSSPWXSHUNCDP-NNLXQCSXSA-N 380.494 3.718 10 50 GHCA COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 1220597 YZFNMPNZWGDHBY-CPNJWEJPSA-N 386.407 3.510 10 50 GHCA Oc1ccc2ccccc2c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19634461 BYYCTGKXNMJGFF-UHFFFAOYSA-N 376.456 3.592 10 50 GHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1Cl 2892955 UZBHWDJTUJBKLH-XFXZXTDPSA-N 376.199 3.572 10 50 GHCA CC[C@@H](C)[C@@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 4026505 DWLSLOKNTKMQTC-ZUOKHONESA-N 381.428 3.755 10 50 GHCA biogenic COc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1 4833483 GQBSKSXMDJGVGY-GDNBJRDFSA-N 390.317 3.742 10 50 GHCA NCc1ccc2c(c1)OCCN2Cc1cc(Br)cc2cccnc12 2325858475 OXNOGQAHMOCTMZ-UHFFFAOYSA-N 384.277 3.855 10 50 GHCA COc1ccc(N2CCN(C(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)CC2)cc1 4865849 AYAQSRZNYDDRME-UHFFFAOYSA-N 396.487 3.714 10 50 GHCA O=C(c1ccccc1)N1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506420322 CCZFSUVDQJEABU-UHFFFAOYSA-N 389.543 3.602 10 50 GHCA COc1ccc(O)c(CN2CCOc3c(O)cc(-c4ccccn4)cc3C2)c1 64103272 RTKVSUNUKANNOU-UHFFFAOYSA-N 378.428 3.563 10 50 GHCA Cc1nccn1-c1ccccc1CNC1CCN(c2ccc3c(c2)OCO3)CC1 1506415971 RSUPQWUQHZQDRH-UHFFFAOYSA-N 390.487 3.668 10 50 GHCA COc1ccc2c(c1)CCCN2Cn1nc(COc2ccccc2)n(C)c1=S 716271 LNUNRBGQENNTJM-UHFFFAOYSA-N 396.516 3.949 10 50 GHCA CCCC1=NN2C(=N)/C(=C/c3ccccc3Br)C(=O)N=C2S1 5093740 XNOGIYHHUCVQGR-UNSMFMGZSA-N 377.267 3.868 10 50 GHCA COC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)cc1 1148412 ORMGQQHKNQQZJT-UHFFFAOYSA-N 379.412 3.957 10 50 GHCA COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 1155488 PYINTZSTPIQNJL-LFIBNONCSA-N 385.466 3.888 10 50 GHCA O=C(c1cc(O)cs1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 732262630 VUMOYYXFFJIZJK-UHFFFAOYSA-N 384.423 3.821 10 50 GHCA CCN1C(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N(CC)C1=S 1147406 RBRMLRZVJAMDCR-UHFFFAOYSA-N 387.892 3.510 10 50 GHCA Cc1ccsc1[C@@H](CNC1CCN(c2ccc3c(c2)OCO3)CC1)N(C)C 1506406990 QISVXPXPRGNQAU-GOSISDBHSA-N 387.549 3.647 10 50 GHCA COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 1182569 XMOXKNRMLUKCHR-UNOMPAQXSA-N 392.411 3.776 10 50 GHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O 2915915 KXJAXAPJZLOCDE-MDWZMJQESA-N 393.251 3.530 10 50 GHCA Cn1c(SCC(=O)c2sc3ccccc3c2O)nnc1-c1ccc(N)cc1 9145614 CKJIGCKXZXLWTE-UHFFFAOYSA-N 396.497 3.960 10 50 GHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 708688 LBUSALIXDQYYMD-XSFVSMFZSA-N 388.398 3.866 10 50 GHCA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(=O)c1ccc(C)cc1 15769047 MUSGNTKEUCFUMI-YBEGLDIGSA-N 385.466 3.712 10 50 GHCA CCc1nnc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1C 194688119 CJYLHXOWSGSTNL-INIZCTEOSA-N 383.521 3.712 10 50 GHCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\Nc1cccc(Cl)c1 17086462 RJQUNKWVKMECEC-XFXZXTDPSA-N 376.199 3.572 10 50 GHCA O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c3ccccc23)ccc1Cl 4134543 JDYDEJYIVZNWQU-UHFFFAOYSA-N 378.793 3.908 10 50 GHCA Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)NC1=S 2308659 SNUCGGXRUJAODS-NBVRZTHBSA-N 387.464 3.617 10 50 GHCA CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 22130625 MGJTYNRYHNEGDB-PDGQHHTCSA-N 396.406 3.535 10 50 GHCA Cc1ccc2[nH]cc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 4833398 HNJDSAXHALXSBR-SXGWCWSVSA-N 379.803 3.796 10 50 GHCA CC(C)NCCCNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 71766957 UMVAYDXMFJRUSW-UHFFFAOYSA-N 375.472 3.550 10 50 GHCA CCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 30819127 FCVVSMJWVGDSJW-NXHHHXCLSA-N 395.400 3.884 10 50 GHCA O=C1OC(c2ccccc2)=N/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5023921 AMJUNRCCQVFKCC-GHRIWEEISA-N 377.400 3.930 10 50 GHCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 5061568 CEGXUDVZSOYDNV-UYRXBGFRSA-N 377.444 3.542 10 50 GHCA CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 16264782 LCKZPNXSJSJYHO-RGEXLXHISA-N 390.512 3.520 10 50 GHCA COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 1163695 YCZMCCCNNKSKDD-PDGQHHTCSA-N 378.384 3.780 10 50 GHCA CCOc1ccccc1CNC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1 4623122 LIONNUAAJXQGIB-UHFFFAOYSA-N 388.427 3.856 10 50 GHCA CCCCc1n[nH]c2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]13)CC2 19742702 DBIZCBPSBRHLTL-LBUQITIBSA-N 376.504 3.791 10 50 GHCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 1225846 SYYIIHYXYDSMEH-LFIBNONCSA-N 381.344 3.500 10 50 GHCA Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccccc2O)CC1 12711993 OBIJYUYKCHYTGV-UHFFFAOYSA-N 390.487 3.987 10 50 GHCA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)cc1 1174043 FLPDOGWCTAKDHM-HMMYKYKNSA-N 385.423 3.706 10 50 GHCA COc1ccc(C2=C/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)O2)c(OC)c1 2920965 UGLKAPBCDDNBRO-ZSOIEALJSA-N 398.411 3.711 10 50 GHCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc(OC)c1O 217801816 PPRJQZBGTXQWFM-UHFFFAOYSA-N 393.355 3.658 10 50 GHCA biogenic COc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2)cc1OC 1463805 PVYDRMXIVHTQDK-CYBMUJFWSA-N 377.238 3.611 10 50 GHCA biogenic Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)c1 5061557 LJGRKKXVARZYBF-JYRVWZFOSA-N 375.211 3.968 10 50 GHCA CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1792521 YUCQBHBKHAPHQU-HRYODUOUSA-N 392.527 3.575 10 50 GHCA biogenic Cc1cccc(N2C(=O)N=C(O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])C2=O)c1 1067029 GJNYBCDCNZQDMW-SDKHNTRVSA-N 377.356 3.966 10 50 GHCA COCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2986648 LHOKCDLPGVPDCR-GDNBJRDFSA-N 390.442 3.702 10 50 GHCA COc1cc([N+](=O)[O-])cc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c1O 239338660 KXCWQDNTZPHYMT-ICSRJNTNSA-N 389.496 3.538 10 50 GHCA O=C1C[C@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)CN1c1ccc(F)cc1 1506417288 PHVKUWZNWNRGPL-NRFANRHFSA-N 393.506 3.678 10 50 GHCA COc1ccc(N2CCN(C(=O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 1127578 SGAXIGFORYKXSC-UHFFFAOYSA-N 382.504 3.720 10 50 GHCA COCCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)C(C(=O)OC)=C1C 4725092 HXGKDQLLQXDWBF-RAXLEYEMSA-N 384.259 3.703 10 50 GHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 2919063 HIIQHLIJXURWQJ-NTEUORMPSA-N 377.252 3.825 10 50 GHCA COc1ccc(N2CCOCC2)c(NC(=O)CSc2ccc(Cl)cc2)c1 7496664 PRBCLTVCSDYJRC-UHFFFAOYSA-N 392.908 3.916 10 50 GHCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)c(Cl)c1 100391848 ZKWUADZMZJNPSZ-XFXZXTDPSA-N 376.199 3.572 10 50 GHCA COc1ccc(N2CCN(C(=O)c3cc(C(C)C)nc4onc(C)c34)CC2)cc1 36358450 MXFKJRPZQHOCIJ-UHFFFAOYSA-N 394.475 3.626 10 50 GHCA COc1ccc(O)c(CN2CCC3(CC2)C[C@@H]3C(=O)Nc2ccccc2OC)c1 11979149 CQMIYQTYUHSWSU-GOSISDBHSA-N 396.487 3.650 10 50 GHCA COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1 12383044 AQQXDKWRVBMUMO-UHFFFAOYSA-N 384.476 3.673 10 50 GHCA Cc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 5614043 JEOSHHADGPASFG-SFQUDFHCSA-N 389.367 3.625 10 50 GHCA COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cc1 1188040 YBFSHCPHTDNCNQ-YBEGLDIGSA-N 385.466 3.888 10 50 GHCA Cn1c(=O)c(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc2ccccc21 218199410 HHASOULQBVQRSJ-UHFFFAOYSA-N 398.378 3.787 10 50 GHCA O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)cc1 1184280 PFZYHGCTZCRRQJ-DHZHZOJOSA-N 393.251 3.530 10 50 GHCA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN(C)C)c1O 870798 LYWBOWIANIJKKW-UHFFFAOYSA-N 391.471 3.985 10 50 GHCA biogenic CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 12412896 CPTKRDAXBDAYQM-XFFZJAGNSA-N 389.202 3.573 10 50 GHCA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 13548668 KNKQLZRKIYEEAB-VZUCSPMQSA-N 395.173 3.505 10 50 GHCA O=C1C(=CNC2CCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 23115240 WTONDTXYBRVZHB-UHFFFAOYSA-N 387.524 3.859 10 50 GHCA CN(C)c1ccc(/C=C/CN2CCc3nnc(Cc4ccccc4)n3CC2)cc1 19595605 MJHMERGVQNIVAR-RMKNXTFCSA-N 387.531 3.506 10 50 GHCA O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 5178551 UWFQYCKTRNOFEF-RIYZIHGNSA-N 386.410 3.699 10 50 GHCA COc1cccc(-n2c(C)cc(C(=O)N3CCC(c4cnc[nH]4)CC3)c2C)c1 2325728431 CPRKFQZAPGZSFJ-UHFFFAOYSA-N 378.476 3.846 10 50 GHCA Cc1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 3877685 HKHCPDXPVWSYRP-UHFFFAOYSA-N 377.421 3.571 10 50 GHCA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C3CCN(c4ccc(OC)cc4)CC3)C[C@H]21 1857709870 VWSQCMWRQVYLEV-ZRGHVXQMSA-N 398.547 3.597 10 50 GHCA COc1cccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1 3071884 FRGLILMWKNDEJO-BQGMYUGNSA-N 399.493 3.592 10 50 GHCA COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@H](C(=O)O)CC3)c2C)cc1 1875353767 FUHHQBGOWIBYFM-DLBZAZTESA-N 384.476 3.866 10 50 GHCA C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 10113290 FOBHNMUUQNDEIH-OAHLLOKOSA-N 390.936 3.974 10 50 GHCA COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)ccc1Cl 1203726 GOETUEVFBJHTIO-NTUHNPAUSA-N 379.846 3.875 10 50 GHCA COCCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 5052158 NZMSAUPQTSJXMG-XNTDXEJSSA-N 390.442 3.702 10 50 GHCA CC(C)OC(=O)COc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 1134174 UDCPBMQBWQIBHG-UHFFFAOYSA-N 383.356 3.699 10 50 GHCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1cc(Cl)ccc1Cl 100394962 FHIIIZXUVKNCHI-XFXZXTDPSA-N 376.199 3.572 10 50 GHCA O=C(O)CCN1C(=O)/C(=C/c2ccc(N3CCCCCC3)cc2)SC1=S 44126734 GSYXELQFWVQDRP-SSZFMOIBSA-N 390.530 3.743 10 50 GHCA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2cc(OC)ccc2O)C1 12571622 FJUGVUWMCSBHEL-QHCPKHFHSA-N 383.488 3.789 10 50 GHCA Oc1ccc(Br)cc1CN1CCN(Cc2ccc(F)cc2)CC1 19364177 JRARTRMJEQCXOK-UHFFFAOYSA-N 379.273 3.612 10 50 GHCA CCOc1ccc(CN[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1CO 12709696 MQNVGQMGCBGHNG-SFHVURJKSA-N 397.544 3.946 10 50 GHCA COc1ccc(N2CCN(c3nc4c(C)cccc4cc3CO)[C@H](C)C2)cc1 108008057 GHWNDNNKKIPXOH-QGZVFWFLSA-N 377.488 3.759 10 50 GHCA CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2C)C1=O 1209541 MCRRCTJMIVJIKL-SFQUDFHCSA-N 398.509 3.940 10 50 GHCA COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 1103981 QGGRXJDSCCOSIX-ATVHPVEESA-N 378.384 3.780 10 50 GHCA CCOc1ccc2nc(N3CCCN(Cc4ccccc4O)CC3)nc(C)c2c1 11784077 AMVOWBRQAWYXEF-UHFFFAOYSA-N 392.503 3.755 10 50 GHCA CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 12414020 CHXSDBIUKLUXHG-BOPFTXTBSA-N 399.447 3.567 10 50 GHCA C[C@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)c1ccc(S(C)(=O)=O)cc1 1506404509 DVNAFVAKOCHYKA-KRWDZBQOSA-N 398.572 3.898 10 50 GHCA COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)c(OC)c1OC 9012298 CGRVRFJWRGJDOF-PTNGSMBKSA-N 396.399 3.528 10 50 GHCA COc1ccc(CN2C(=O)/C(=C3/C(=O)Nc4ccc(C)cc43)SC2=S)cc1 1177563 ZGUHREQXQFVZFC-MSUUIHNZSA-N 396.493 3.727 10 50 GHCA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(-c3cccc(OC)n3)ccc2O)C1 14881129 LGJXCKUDSLURJA-SFHVURJKSA-N 397.519 3.543 10 50 GHCA CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(C)C1=O 911224 DIAKWDYVGHGDTQ-UHFFFAOYSA-N 379.199 3.687 10 50 GHCA Cc1csc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 5094515 AVLPTEYVEXKWCH-YRNVUSSQSA-N 395.556 3.743 10 50 GHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)o3)C2=O)cc1C 1176817 LZQFSDUPASUUOZ-QGOAFFKASA-N 393.443 3.553 10 50 GHCA Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 32694328 MYFIAIPDVUBWIK-LICLKQGHSA-N 399.493 3.860 10 50 GHCA CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccco2)cc1 4758841 ZDAFTCKLKRLUPA-UHFFFAOYSA-N 387.443 3.905 10 50 GHCA Cc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 4949954 VSUZCELUEVWMPC-UYRXBGFRSA-N 379.435 3.827 10 50 GHCA COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 1213151 SRQIODOTYGGWNA-MHWRWJLKSA-N 384.819 3.632 10 50 GHCA COc1ccc(CCN2CCC(CN(C)Cc3cc(OC)ccc3O)CC2)cc1 15065343 YBXJYARVDNISID-UHFFFAOYSA-N 398.547 3.796 10 50 GHCA COc1ccc([C@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3c2ccccc2)cc1 136814389 MSQNXJQXDDDHNZ-QRICJDHISA-N 398.422 3.818 10 50 GHCA Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)no1 4746559 FZLIBLPYVZNDSB-FMIVXFBMSA-N 393.515 3.665 10 50 GHCA aggregator