smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4881514 RYNSFZVUENDLBC-IQUTYRLHSA-N 393.395 3.231 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)cc1Cl 409244940 KVAGNPOANYFQEI-OVCLIPMQSA-N 387.892 3.435 10 40 GGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 225349312 ULOBZPLTNLPRLT-UHFFFAOYSA-N 390.505 3.106 10 40 GGCB O=C(Cc1ccccc1)NS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 866377 AKXXGCYTOVECOT-LSDHQDQOSA-N 386.477 3.219 10 40 GGCB Cc1ccc(Cn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 13689131 FXGKMRKANULZKV-UNOMPAQXSA-N 389.411 3.100 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 5021138 JPHYGCWJMAFAHY-SRVKXCTJSA-N 377.462 3.265 10 40 GGCB CCN(CC)c1ccc(CN(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 8780539 VOZLLNUECPNXMU-UHFFFAOYSA-N 396.535 3.305 10 40 GGCB Cc1ccccc1N1C(=O)/C(=C\c2ccccc2OCC(N)=O)SC1=S 409329952 JBRGIYPJFWIIOZ-MHWRWJLKSA-N 384.482 3.265 10 40 GGCB CCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 4263416 ZUWNIOUURYVZAS-GDNBJRDFSA-N 395.502 3.248 10 40 GGCB CCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(=O)N(c2ccccc2)C1=S 409022497 QJKOVRNZAZDKPX-FOWTUZBSSA-N 396.468 3.355 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408894941 SJTCLNQPIACMOQ-PDGQHHTCSA-N 394.383 3.481 10 40 GGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)cc1 83947487 VPCYOBFJJVVVLK-JOCHJYFZSA-N 379.504 3.008 10 40 GGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 15134428 JNIFYJWTQMMRAB-ATVHPVEESA-N 375.340 3.316 10 40 GGCB CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 1416540 OZKHKJIMPOTFPF-FOWTUZBSSA-N 383.498 3.299 10 40 GGCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1O 3773552 KMVBPQUMZNIMMZ-MDWZMJQESA-N 392.483 3.009 10 40 GGCB CN(C)c1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 5097917 PVRNLIODTFSKRK-HXUWFJFHSA-N 382.464 3.228 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1Br 5770434 QJCRJSSAEZJLPD-LCYFTJDESA-N 389.180 3.255 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@H](C)C2 17077607 XRPSRZRVUHRTKN-SDDRHHMPSA-N 379.478 3.489 10 40 GGCB Cc1ccc(NC(=S)NNc2nc(NC(C)C)nc(NC(C)C)n2)cc1C 27546099 LFENDSDXLKGEKK-UHFFFAOYSA-N 388.545 3.443 10 40 GGCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(CC)C3=O)c2C)cc1 409392341 PBGJYTOYEBJCIR-LDADJPATSA-N 381.501 3.303 10 40 GGCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OC(C)C 408964398 GSKBWQCDHSHVIL-UHFFFAOYSA-N 396.896 3.125 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc2c(c1)OCO2 5373232 MWRUEAVLLWLHOL-UYRXBGFRSA-N 393.468 3.208 10 40 GGCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5374069 CRLWIEVYWZVPJE-OIQXIXSWSA-N 393.486 3.174 10 40 GGCB Oc1nc(-c2ccncc2)nc2c1CCN(Cc1ccc(N3CCCC3)cc1)C2 19334434 RADZTPCZYGVYOB-UHFFFAOYSA-N 387.487 3.403 10 40 GGCB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 862488 KCQZAIYYDAKNPB-IBGZPJMESA-N 380.448 3.028 10 40 GGCB CN1CCN(c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2[N+](=O)[O-])CC1 409092446 YHZQLYZXORJHFR-CPNJWEJPSA-N 396.472 3.432 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S)c1cccnc1 54361084 BGKHVJSQAJINKN-YBEGLDIGSA-N 392.465 3.176 10 40 GGCB COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)cc1 409130183 INGZGACXUGMKPU-CXUHLZMHSA-N 386.429 3.224 10 40 GGCB O=C(OCc1cc(=O)oc2cc(O)c(O)cc12)c1cc(Cl)ccc1[N+](=O)[O-] 3348013 MLOWPABYBWYZKB-UHFFFAOYSA-N 391.719 3.123 10 40 GGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(I)c1 408765099 BJRFHEBNMGUFKN-UHFFFAOYSA-N 398.196 3.435 10 40 GGCB NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 409333792 WCSIPWUSDHMUMT-NVNXTCNLSA-N 388.445 3.096 10 40 GGCB CN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N(c2ccccc2)C1=O 408849075 UYIUGLBLEQEXRR-SAPNQHFASA-N 379.416 3.279 10 40 GGCB COc1c(C(C)C)c(O)c(O)c2c1[C@@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 604379908 TZZLSFDQMRMADF-UTQVJTIVSA-N 376.449 3.266 10 40 GGCB biogenic,in-vitro CN1CCN([C@@H](CNC(=O)Nc2ccc(F)cc2)c2ccc(N(C)C)cc2)CC1 22418572 ILIHLLMHUMGBRG-NRFANRHFSA-N 399.514 3.002 10 40 GGCB COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 112124027 ZSKLRANMDDBSEJ-PDGQHHTCSA-N 394.387 3.490 10 40 GGCB O=C(c1cc(Br)c[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 84504628 KIZLJGXFHLEQAB-AWEZNQCLSA-N 379.254 3.304 10 40 GGCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1ccccc1)c2[N+](=O)[O-] 4256804 DGYLRHLAIIELON-UHFFFAOYSA-N 386.363 3.300 10 40 GGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1O 4704219 LSFKGFHHPKIFCD-QPEQYQDCSA-N 386.791 3.029 10 40 GGCB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cnn(-c2ccccc2)c1)CC3 18064297 VYZYJAROJAOMKI-XNTDXEJSSA-N 384.395 3.225 10 40 GGCB CC(C)Cn1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccc2c1=O 57637598 ABHCFZFFVQJDPO-UHFFFAOYSA-N 392.503 3.391 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccn3)C2=O)cc1 4063588 JMKCYIJDDDRTQX-PTNGSMBKSA-N 399.497 3.320 10 40 GGCB Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963390 JMBTXGCCNHFNFV-JOCHJYFZSA-N 393.531 3.319 10 40 GGCB C[C@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)ccc2O1 408710769 JRXPUDHDOZLEOO-UJFYRASASA-N 382.803 3.330 10 40 GGCB CN(C)c1ccc(/C=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 5797696 JOUOUFZTLAZHQI-JTPHSUOKSA-N 377.444 3.059 10 40 GGCB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1nccs1 1205250 YPLPBGFUISCDSX-YRNVUSSQSA-N 379.463 3.122 10 40 GGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)C)cc3)C2=O)c1 1155777 OUOLMNSJHNTLKQ-LFIBNONCSA-N 395.415 3.277 10 40 GGCB O=C(O)[C@@H](Cc1ccccc1)NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3 4037323 XKZOQPCOAKEAMA-LJQANCHMSA-N 393.439 3.163 10 40 GGCB biogenic Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 408771906 IZOFGKNFRBZLAB-CXUHLZMHSA-N 379.372 3.186 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1[N+](=O)[O-] 5175302 XSNKCCQKJBTEMT-UVTDQMKNSA-N 385.426 3.141 10 40 GGCB CN(C)c1ccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 845893 YCBAAIHNRSCBNY-LFIBNONCSA-N 382.876 3.085 10 40 GGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 1412509 AGXNCIWDJUKONQ-UKTHLTGXSA-N 376.484 3.303 10 40 GGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(C)C 408801836 CEABFZMPMULFNJ-GZTJUZNOSA-N 394.427 3.457 10 40 GGCB CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(CC)c3C)C(=O)NC2=S)cc1 1135534 YFCZLKOFYONFAJ-PDGQHHTCSA-N 397.500 3.355 10 40 GGCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8800998 AIBQFVBEJLFDTB-QFIPXVFZSA-N 399.560 3.103 10 40 GGCB CN(C)c1ccc(CNC(=O)COc2ccc(Br)cc2F)cc1 7694568 HDSZLNKGGUQTNN-UHFFFAOYSA-N 381.245 3.349 10 40 GGCB CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N(C)C1=O 2282065 WGMLTQNCQQBCLR-UHFFFAOYSA-N 384.819 3.353 10 40 GGCB O=C(O)c1c(CN2CCN(c3ccccc3)CC2)c(O)c2ccccc2c1O 3375374 ISSKPXBVACFMKC-UHFFFAOYSA-N 378.428 3.271 10 40 GGCB CCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)O)cc2C1=O 3667957 CARKOUWAICHFPI-UHFFFAOYSA-N 386.791 3.297 10 40 GGCB CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N(C)C1=O 4704207 SMHQHTZMWWDKLA-UHFFFAOYSA-N 384.819 3.353 10 40 GGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5372319 IQTPKRZQWITSGZ-KSSSLANASA-N 379.459 3.260 10 40 GGCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccccn1 9379095 NHEIXUGIEQRMMA-JLCFBVMHSA-N 394.475 3.173 10 40 GGCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1cc(Cl)ccc1Cl 101637882 ICCYZUCVSXDIPX-YRNVUSSQSA-N 388.218 3.150 10 40 GGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C2=O)c1 409021621 QSZODYGPSMZPGW-CPNJWEJPSA-N 387.395 3.158 10 40 GGCB COc1ccc([C@@H](CNCc2ccc(N3CCOCC3)cc2)N2CCCC2)cc1 24981488 ATTHIIHJDFMVOU-XMMPIXPASA-N 395.547 3.459 10 40 GGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 408998972 JQVVMKLGJSJKDK-QPEQYQDCSA-N 392.242 3.493 10 40 GGCB COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(Cc2ccccc2)C(=O)N=C1O 1434503 CGZKNEXQQYDEAZ-XNTDXEJSSA-N 381.344 3.106 10 40 GGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Br)o1 6258654 MYEGASLIUCPBEO-CLFYSBASSA-N 395.209 3.013 10 40 GGCB Cc1cc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)no1 5370807 RYLKAZONYUHRQI-AYPDRCFHSA-N 385.470 3.379 10 40 GGCB Cc1ccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c(O)c1 2037977927 XXTFLPURSHBSMO-UHFFFAOYSA-N 384.451 3.238 10 40 GGCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)S2)CC1 4483018 OIWMOSGCHAVLFU-LDADJPATSA-N 399.447 3.220 10 40 GGCB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1ccc2c(c1)OCCO2 8194358 QQNYAMPGFKITGP-UHFFFAOYSA-N 382.489 3.424 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1cccc(O)c1 1275575 JHIGJZSGAIDMIK-AQTBWJFISA-N 383.448 3.324 10 40 GGCB O=C1CN(Cc2ccc(Br)cc2)[C@H](c2cc(O)c(O)c(Cl)c2)N1 84398243 RRUSVWGLYFONOM-MRXNPFEDSA-N 397.656 3.144 10 40 GGCB CCc1nnc(S/C(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)O)[nH]1 7342606 AAXQDVVPFFOHPS-GXDHUFHOSA-N 389.437 3.093 10 40 GGCB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)c(C)cc2N)cc1 987233 QILZVUPTQYLCNK-UHFFFAOYSA-N 388.471 3.202 10 40 GGCB Cc1ccc(C)c(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1 59139680 DYNNOCCSZRAAJR-UHFFFAOYSA-N 381.501 3.310 10 40 GGCB COc1cccc(C(=O)NN2C(=O)/C(=C/c3cc(C)[nH]c3C)SC2=S)c1 96861805 DVFIJBZSRWLJKB-DHDCSXOGSA-N 387.486 3.186 10 40 GGCB Cc1cc(=O)oc2c(CNc3ccc(CN4CCOCC4)cc3)c(O)ccc12 20573478 VFGXPUYUFJCCIQ-UHFFFAOYSA-N 380.444 3.251 10 40 GGCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CN2CCCC2=O)cc1 28329585 LVDUYIBOHNYWDF-UHFFFAOYSA-N 377.488 3.339 10 40 GGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S 9422508 ROGUVRMFTXAKFO-KMPOOHAWSA-N 390.530 3.379 10 40 GGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)o1 4674993 LSRZBFGGWLQPEB-XFFZJAGNSA-N 395.596 3.362 10 40 GGCB NC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 33677270 KPEIOQUMNARIKK-XNTDXEJSSA-N 376.503 3.085 10 40 GGCB COc1cccc(CN2CCC(C(=O)N[C@@H](C)CCCC(C)(C)O)CC2)c1O 199402457 URQRFPNNGFIRIU-INIZCTEOSA-N 392.540 3.059 10 40 GGCB CN1CCCc2cc([C@@H](CNC(=O)C3CCCCC3)N3CCOCC3)ccc21 21886918 WIIZQHBASYIUDZ-JOCHJYFZSA-N 385.552 3.139 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)NCc3ccc(F)cc3)N3CCCC3)ccc21 35597220 TZYLNPGEXPODIG-QFIPXVFZSA-N 396.510 3.454 10 40 GGCB COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc1 9062798 GEENEGOKCJSFLM-UHFFFAOYSA-N 393.531 3.256 10 40 GGCB Cc1cccc(C)c1NC(=S)NNc1nc(NC(C)C)nc(NC(C)C)n1 27546101 KTQLDRRCQGALNH-UHFFFAOYSA-N 388.545 3.443 10 40 GGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5374078 CRLWIEVYWZVPJE-NEQSRXPGSA-N 393.486 3.174 10 40 GGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)SC1=S 5374803 YAWKZXOGXNZJNQ-LZYBPNLTSA-N 398.465 3.499 10 40 GGCB O=[N+]([O-])c1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1 2966016 ZMDAPEKQNCEBEY-SFHVURJKSA-N 390.872 3.419 10 40 GGCB CN(C)CCCN[C@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 101090858 KJRNIEOGPMQUII-KRXRYSOXSA-N 397.479 3.425 10 40 GGCB COc1ccc([C@@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCS3)cc1OC 22404638 JKFFBTQGWJNJFS-NRFANRHFSA-N 385.509 3.101 10 40 GGCB Cc1csc(NC(=O)CN2C(=O)/C(=C\c3ccccc3F)SC2=S)n1 6974138 UCXADVJUHVAELL-WUXMJOGZSA-N 393.490 3.431 10 40 GGCB CCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)cc1OC 12635841 MWNFQTZCIZWNLR-MKVLZVNKSA-N 395.502 3.247 10 40 GGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])C2=O)c1 408967579 VWLPFKOFEZZWSV-NQLWTVTNSA-N 391.383 3.434 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc12 1168295 FUQPGTGHISQHQF-GZTJUZNOSA-N 376.368 3.103 10 40 GGCB O=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 15231065 FXCFZXZADZKRCD-CPNJWEJPSA-N 392.415 3.288 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@H](C)C2 17077606 XRPSRZRVUHRTKN-QJPTWQEYSA-N 379.478 3.489 10 40 GGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(C)C 1085304 XHVBBEPIFMIRGP-GZTJUZNOSA-N 394.427 3.396 10 40 GGCB COc1cccc(-n2c(C)cc(C(=O)NCCc3nnc4ccccn34)c2C)c1 32425484 LKSNKKAVXSHXOY-UHFFFAOYSA-N 389.459 3.118 10 40 GGCB O=C1NC(=S)S/C1=C\c1nn(Cc2ccccc2)cc1-c1cccnc1 9592692 SXPPPQBJDJNEHI-MFOYZWKCSA-N 378.482 3.482 10 40 GGCB Cc1cc(C(=O)COC(=O)[C@H]2COCCO2)c(C)n1-c1ccc(F)c(Cl)c1 46306764 JBAHBVZMAQYBAP-GOSISDBHSA-N 395.814 3.028 10 40 GGCB CCC(CC)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 95947774 YAQDLNHCTUHNCU-UHFFFAOYSA-N 379.412 3.380 10 40 GGCB COc1ccc(N2CCN(C(=O)Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 9704788 NAWFVHPAPXUCQS-UHFFFAOYSA-N 392.455 3.001 10 40 GGCB Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)c1 408847465 NAKSUXVZDIBYTF-CXUHLZMHSA-N 378.384 3.007 10 40 GGCB CCn1nc(C)c2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(C)nc21 28222262 UMMDWCJAYDKXNQ-UHFFFAOYSA-N 393.491 3.039 10 40 GGCB COc1cc(N2CCCCC2)ccc1/C=c1\sc2nc3ccccc3n2c1=O 409251864 QTACGYPWLAIOJY-MOSHPQCFSA-N 391.496 3.456 10 40 GGCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(O)cc4)S3)CC2)c1 836494 USBGYYPCIQKWBS-RGEXLXHISA-N 379.485 3.493 10 40 GGCB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 4166161 XHTAAYHQCLFJHY-NJYVYQBISA-N 393.487 3.399 10 40 GGCB C[C@H]1CCCCN1C(=O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1 29887953 NJPMHTDGBLIOGD-SFHVURJKSA-N 381.520 3.064 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(OC)c1C 409246394 HPXWOGIMGXHIDC-RVDMUPIBSA-N 396.468 3.152 10 40 GGCB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 225671235 MOLLJDOWCOYSNO-GOSISDBHSA-N 394.515 3.486 10 40 GGCB Cc1cc(C(=O)CN(C)CC(=O)N2CCCC2)c(C)n1-c1ccc2c(c1)CCC2 57358842 RHNZVYOQELKVMP-UHFFFAOYSA-N 393.531 3.320 10 40 GGCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 7496922 FBFDBVVIDOCGSP-UHFFFAOYSA-N 391.811 3.346 10 40 GGCB Cc1nnc2n1N1C(=CS[C@H]1c1ccc(N3CCCC3)c([N+](=O)[O-])c1)S2 20427322 GSNYWGPJXWTBOM-HNNXBMFYSA-N 388.478 3.383 10 40 GGCB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc([N+](=O)[O-])cc1 1848897 ZCILPGAFEZLHDL-XYOKQWHBSA-N 391.455 3.203 10 40 GGCB CN(C)c1ccc(/C=c2\sc3nnc(-c4cccc(Cl)c4)n3c2=O)cc1 9187926 DQKZHQRMTHAZOB-YBEGLDIGSA-N 382.876 3.085 10 40 GGCB CCNc1nc(NCC)n2c(S[C@H](C)C(=O)c3ccc(C)cc3)nnc2n1 4279691 DSCLKBVAIGHLDX-GFCCVEGCSA-N 385.497 3.055 10 40 GGCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(F)cc2)C1=O 13749786 FUNYLXZPVPBDDD-GDNBJRDFSA-N 388.445 3.381 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1O 409242507 VJCJMRGHSQDBBR-XYOKQWHBSA-N 386.791 3.029 10 40 GGCB COc1ccc(Cl)cc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1 408975721 MAFVEZKCJQZNDM-UHFFFAOYSA-N 390.848 3.207 10 40 GGCB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 19078556 NQBPLXLQQAXJLN-UHFFFAOYSA-N 391.474 3.449 10 40 GGCB CCN1CCN(Cc2c(O)ccc3cc(-c4ccc(OC)cc4)c(=O)oc23)CC1 20605113 JIJNZIHKDDITLD-UHFFFAOYSA-N 394.471 3.312 10 40 GGCB biogenic COc1ccc(N(C(C)=O)c2nc(/C=C3\SC(=S)NC3=O)cs2)cc1 7155234 FKTZZPTZDMVXAD-QPEQYQDCSA-N 391.499 3.325 10 40 GGCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccc(C)cc34)CC2)cc1 20717621 KILTZWTXWBTCEG-NRFANRHFSA-N 379.460 3.433 10 40 GGCB Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(c4ncccn4)CC3)c2C)cc1 12634840 XBCSGUZVYLOPLE-UHFFFAOYSA-N 389.503 3.197 10 40 GGCB COc1ccc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)c(OC)c1 20226910 JQYVTLQFGMWOFN-SXGWCWSVSA-N 384.413 3.484 10 40 GGCB CC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 6074078 UZLIZJHRUJVCPZ-YBEGLDIGSA-N 383.791 3.121 10 40 GGCB COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)cc1 408967159 QEMYKQPRKKAXHC-XYOKQWHBSA-N 378.862 3.241 10 40 GGCB CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3F)N3CCOCC3)ccc21 13008299 BUDZQTZEABYLGD-JOCHJYFZSA-N 397.494 3.011 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 12563312 CJJQZTXVDVPNOW-LJQANCHMSA-N 383.536 3.426 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1766441 NNTUJRWGQQXXRI-NTEUORMPSA-N 379.459 3.262 10 40 GGCB CC(C)(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 4544506 RIUWMHVNCAPCPH-MHWRWJLKSA-N 392.411 3.379 10 40 GGCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)n1-c1ccccc1 223598435 KRAIVAPJHXONNV-WOJBJXKFSA-N 378.501 3.146 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)NC2=S)cc1 631906 XOPYHFMYLWWJNA-FOWTUZBSSA-N 381.457 3.020 10 40 GGCB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc(N2CCOCC2)cc1 3999008 JGLZAXBQNBTZOF-LCJITAHGSA-N 389.499 3.160 10 40 GGCB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1 41373280 YQZJEYWIAKNHMW-UHFFFAOYSA-N 387.505 3.180 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S)c1cccnc1 13684478 BGKHVJSQAJINKN-MHWRWJLKSA-N 392.465 3.176 10 40 GGCB Cc1cccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=O)NC2=O)c1 408813683 OSESUFPBIUMRFX-UHFFFAOYSA-N 386.407 3.477 10 40 GGCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223572143 HTFQQSCXJYKHIQ-RKPNYOAGSA-N 385.533 3.364 10 40 GGCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(F)c(F)c3)cc2)CC1 225776696 AIAOVPCZVMGYEW-UHFFFAOYSA-N 376.476 3.203 10 40 GGCB COc1ccccc1Oc1coc2c(CN3CCN(C)CC3)c(O)ccc2c1=O 20391542 HYCKJPSLSJCOSJ-UHFFFAOYSA-N 396.443 3.047 10 40 GGCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1Cl 12884582 DLZLEARXCXYXFO-MDZDMXLPSA-N 386.882 3.124 10 40 GGCB CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33751250 QOKMDMJUDNDMKF-KAECEXQPSA-N 381.388 3.234 10 40 GGCB Cc1cc(/C=C2/SC(=S)N=C2O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 2394482 WBRHQAZLPPMTSL-RIYZIHGNSA-N 393.515 3.071 10 40 GGCB CCCc1cc(=O)oc2c(CN[C@@H](Cc3ccccc3)C(=O)O)c(O)ccc12 2121311 ANIBAKNMKNJZIG-SFHVURJKSA-N 381.428 3.237 10 40 GGCB biogenic O=C1N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1c1cccc(Cl)c1 409073995 OYBQNFRFZRFSSI-LDADJPATSA-N 383.835 3.274 10 40 GGCB CCOC(=O)c1cnc2c(/N=N/c3cccc(C(F)(F)F)c3)c(=O)[nH]n2c1N 97944949 HQMYQMGYTKGPRI-GHVJWSGMSA-N 394.313 3.216 10 40 GGCB CCC1=NN2C(=N)/C(=C\c3cc(Br)ccc3OC)C(=O)N=C2S1 5950927 XHMVZUHCNHDOOD-DNKAYRMDSA-N 393.266 3.487 10 40 GGCB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCC 20608698 WXERUNAWVYISFF-WQLSENKSSA-N 399.310 3.324 10 40 GGCB Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 48314813 DLFYMRZIBBFWMR-KSZLIROESA-N 384.476 3.275 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](CC(C)C)C3=O)c2C)cc1 6830399 NDMGTDREIIMWOY-LJQANCHMSA-N 397.475 3.252 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1O 408890061 NDMIGQFWFOSBJR-XNTDXEJSSA-N 380.400 3.074 10 40 GGCB CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 409401353 XESRZQUXMSGKJR-UVTDQMKNSA-N 387.233 3.309 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 6525682 CMDLVPHUZMUYLX-TVMMDAIPSA-N 391.489 3.345 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(=O)n3C3CC3)c2C)cc1 3303771 JZPZBTXVRGUJIF-UHFFFAOYSA-N 398.488 3.297 10 40 GGCB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)c1 13809689 NISXBIXFMSVWGO-GPLLRDDGSA-N 394.383 3.354 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1C 408535722 ZVMUELOALGBIEV-MHWRWJLKSA-N 394.387 3.099 10 40 GGCB CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCC(=O)O 409039050 QFGBSJZTYCDNRQ-NVNXTCNLSA-N 395.502 3.406 10 40 GGCB CSc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 34377469 XYUBBVIRGAWUHT-PYDVBCTCSA-N 379.470 3.471 10 40 GGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)c1 1201122 LAIWUQXBBHSDMZ-XYOKQWHBSA-N 375.178 3.017 10 40 GGCB O=C(O)[C@@H]1CCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)coc12 4024700 WZOBJNOPFAHZTE-KRWDZBQOSA-N 383.375 3.354 10 40 GGCB biogenic Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 2418213 ZYHGDHUDDMHYAE-UKTHLTGXSA-N 377.878 3.225 10 40 GGCB C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCOCC1 994200 YOBZFSVALSTNRH-JLHYYAGUSA-N 396.394 3.167 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)NCc3ccc(F)cc3)N3CCCC3)ccc21 35597219 TZYLNPGEXPODIG-JOCHJYFZSA-N 396.510 3.454 10 40 GGCB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 103125166 ZRBNETSQZNPWKZ-VBKFSLOCSA-N 399.472 3.226 10 40 GGCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NC1CCCCC1 109156418 XBQQLEFRLUUDNR-XFXZXTDPSA-N 381.860 3.033 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1OC 1299035 JLTUQRNYSCUPSV-HOXUKUGESA-N 381.475 3.158 10 40 GGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409147608 VKDSDKDDOCVXAB-LICLKQGHSA-N 399.472 3.281 10 40 GGCB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 409210616 LTCGFWYWHZFJHQ-OQLLNIDSSA-N 388.445 3.096 10 40 GGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1O 5235971 YJJCZYLGJBPQSH-ZSOIEALJSA-N 397.437 3.373 10 40 GGCB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\C1=CC=C[C@@H]1c1ccc([N+](=O)[O-])cc1 6242459 ILCQSAGVHSTMCM-GEBKJHSDSA-N 391.358 3.318 10 40 GGCB Cc1cc(C(=O)NCCc2nnc3ccccn23)c(C)n1-c1ccccc1F 25466758 XRDGWVGTAKONNK-UHFFFAOYSA-N 377.423 3.248 10 40 GGCB CCNc1nc(NCC)n2c(SCC(=O)c3ccccc3Cl)nnc2n1 3220947 SLEUGDZLTNYVMO-UHFFFAOYSA-N 391.888 3.011 10 40 GGCB COc1cccc(OCCn2cccc2/C=C2\C(=N)N3OC(C)=CC3=NC2=O)c1 41078253 VURACSLXVPCCIZ-FNLGWUMESA-N 392.415 3.026 10 40 GGCB COc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCS3)cc1OC 17135508 LKIJIAGQIVQFLO-NRFANRHFSA-N 385.509 3.183 10 40 GGCB COc1ccc(O)c(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c1 19453613 DCTDLQQZCYOTES-UHFFFAOYSA-N 382.508 3.473 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Cl)c3)C2=O)cc1 408783825 NLNWZNUJLQGWJJ-ZROIWOOFSA-N 386.791 3.024 10 40 GGCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(Br)o1 6414573 PHSPHRXVZAPZTE-XFFZJAGNSA-N 395.209 3.013 10 40 GGCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4cc(F)ccc34)CC2)cc1 20720316 RRFVBHDKCDTKRV-FQEVSTJZSA-N 383.423 3.264 10 40 GGCB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 104712000 SGMNZUSZCXNMTN-IBGZPJMESA-N 381.501 3.246 10 40 GGCB CN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N(C)C1=S 4817173 DDSXTVXQSITNEX-UHFFFAOYSA-N 389.480 3.288 10 40 GGCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 214662044 MNSRNMBLJSUCTI-SFQUDFHCSA-N 381.457 3.428 10 40 GGCB O=C1/C(=C\c2ccco2)SC(=S)N1CN1CCN(c2ccccc2)CC1 20163981 RIFJOMPBCKRJGO-GHRIWEEISA-N 385.514 3.261 10 40 GGCB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\NCc1ccc(F)cc1 102548551 XBXYGHVOPPWYEM-LGMDPLHJSA-N 387.480 3.344 10 40 GGCB O=C(CSc1nncs1)Nc1cccc2c1C(=O)c1ccccc1C2=O 8519348 SYHVFKUFJGTRFS-UHFFFAOYSA-N 381.438 3.044 10 40 GGCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 5351683 VLCRZRLOWXCGKH-HNRFISLBSA-N 387.438 3.125 10 40 GGCB C/C=C/C(=O)OCC(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 4947258 TVUXMLSOPFESRK-GORDUTHDSA-N 383.787 3.173 10 40 GGCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccco4)C(=O)N=C3S2)cc1OC 31973729 GNSHOWWPKJCKMM-TZJGTLJJSA-N 396.428 3.159 10 40 GGCB COc1cc(OC)c(OC)cc1C=C1C(=O)OC(C)(c2ccccc2)OC1=O 2195726 XTSCEKLRFOXWIH-UHFFFAOYSA-N 384.384 3.069 10 40 GGCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1OC 408548230 DZWIUZQWJWMVNH-MHWRWJLKSA-N 396.468 3.152 10 40 GGCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 5236049 XFPMYBLWEWMBBD-RVDMUPIBSA-N 394.481 3.038 10 40 GGCB COc1ccc(N2CCN(c3ncnc4c3[nH]c3cc(OC)ccc34)CC2)cc1 2428200 NQZDBPDDPFQKOS-UHFFFAOYSA-N 389.459 3.455 10 40 GGCB CCOc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 6471260 VJJSWIVEDNFMNK-LLVKDONJSA-N 394.518 3.171 10 40 GGCB c1cc(NCc2ccc(N3CCOCC3)cc2)cc([C@H]2CCc3nncn3C2)c1 19699085 FDLACULBQRQMAD-FQEVSTJZSA-N 389.503 3.457 10 40 GGCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2C(C)=CC1(C)C 208511928 UFPLFEXOMZHSTB-MHWRWJLKSA-N 383.517 3.273 10 40 GGCB CC[C@@H](OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 23224653 TVUIBCQMARNZQF-JTHBVZDNSA-N 384.520 3.346 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 408807164 GLEMIWXRGANKFF-LFIBNONCSA-N 380.400 3.069 10 40 GGCB CCCC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1O)C2=O 19320053 RYDZIKXERPTGGF-UHFFFAOYSA-N 379.298 3.160 10 40 GGCB biogenic O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 843772 CPRLHXJZPVUNHJ-UHFFFAOYSA-N 377.765 3.263 10 40 GGCB O=C(NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1ccccc1 6440889 OSAQBMNODGJHOE-GXDHUFHOSA-N 385.426 3.141 10 40 GGCB O=C1CN(c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)CCN1 40091269 KUZQEYISKCYUAI-UHFFFAOYSA-N 384.789 3.302 10 40 GGCB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c1 409300751 ASOOIJZYJHWAFK-RQZCQDPDSA-N 398.440 3.390 10 40 GGCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(O)cc4)S3)CC2)cc1 4834606 YMKCBMCTMGHJLZ-XMHGGMMESA-N 379.485 3.493 10 40 GGCB Cc1c2c(c(N)c3c(=O)n(-c4ccccc4)ncc13)C(=O)c1ccccc1C2=O 8717081 IRVWFLGMTHTFES-UHFFFAOYSA-N 381.391 3.052 10 40 GGCB COc1ccc(N(CC(=O)O)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 34926555 DBTDFMFQSPOIGY-UHFFFAOYSA-N 396.487 3.068 10 40 GGCB O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccccc1O 16922198 OQLQZGPFHWRIHH-DHDCSXOGSA-N 388.445 3.371 10 40 GGCB Oc1ccc([C@H]2Oc3c(Cc4ccccc4)c(O)cc(O)c3C[C@@H]2O)cc1O 87606977 JXJNWLGWPXGNIK-LEWJYISDSA-N 380.396 3.137 10 40 GGCB CN(C)c1ccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615122054 PKFFRBPKPZBXIM-UHFFFAOYSA-N 397.494 3.290 10 40 GGCB Cc1ccc(N2C(=O)/C(=C\N[C@H](C)c3ccccc3)C(=O)NC2=S)cc1C 101079434 FKCVYLTWMXLAMJ-PWDRBQJJSA-N 379.485 3.286 10 40 GGCB Cc1ccc(S(=O)(=O)Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)cc1 4809337 XJTSNUXZRCSXLU-UHFFFAOYSA-N 392.436 3.153 10 40 GGCB COc1ccc(N2CCN(CC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)CC2)cc1 102135178 MULAHAZSZQTXPM-XXBNENTESA-N 385.552 3.244 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc2c(c1)CCO2 12587970 ISTALJAQEHWJQC-WEVVVXLNSA-N 378.472 3.130 10 40 GGCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38160200 NBTVPWWGWRBKHB-MDWZMJQESA-N 397.343 3.206 10 40 GGCB O=C(O)COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 5864563 PDEANZWAFGKPEX-ZSOIEALJSA-N 375.427 3.144 10 40 GGCB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(N(CC)CC)cc1 6517566 LRNNRBNWVDVMNU-GOSISDBHSA-N 387.505 3.356 10 40 GGCB COc1ccc(N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3C)CC2)cc1 32776779 FVLRXAMJNQIGPU-KRWDZBQOSA-N 399.560 3.415 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1OC 1299037 JLTUQRNYSCUPSV-RLIURORJSA-N 381.475 3.158 10 40 GGCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1Cl 104204107 QDFFKVRACYGSJQ-ATQAJOFPSA-N 386.755 3.154 10 40 GGCB Cc1noc([C@H](C)NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1 65547621 MSKHORWAEREJCS-LBPRGKRZSA-N 382.420 3.048 10 40 GGCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 4747750 VMZJOSYOAADBGL-QGOAFFKASA-N 381.407 3.411 10 40 GGCB CC(C)(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 35074819 TXUGMJBFXIMLKK-PTNGSMBKSA-N 381.388 3.234 10 40 GGCB COc1cc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc(OC)c1OC 1198930 YNBQYGYQCLOQJR-MHWRWJLKSA-N 382.416 3.123 10 40 GGCB biogenic COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 14010078 VDACLRBKWRUKFP-UNOMPAQXSA-N 380.444 3.405 10 40 GGCB CN(C)c1ccc([C@H]2NC[C@H](CSc3nnc(-c4ccncc4)s3)O2)cc1 55243002 OOBBGTAAIFPBQM-SJORKVTESA-N 399.545 3.445 10 40 GGCB CN1CCCc2cc(CNC(=O)N[C@H]3COc4c(F)cc(F)cc4C3)ccc21 1676135731 QABXMUZFUMMLGK-QGZVFWFLSA-N 387.430 3.150 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCC2 2753566 MNNWCESDFLWSFC-PKIAMQTDSA-N 391.489 3.489 10 40 GGCB C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1 29887949 NJPMHTDGBLIOGD-GOSISDBHSA-N 381.520 3.064 10 40 GGCB Cc1c(CC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)oc2c(O)c(O)ccc12 100787983 UBHNQTCRMPUFPX-WHEQGISXSA-N 385.460 3.482 10 40 GGCB O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1Cl 16662491 PQRADICNUFJYMI-SDNWHVSQSA-N 387.798 3.096 10 40 GGCB COc1cc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc(OC)c1OC 5351109 VAQLIZMGRSTVFT-UHFFFAOYSA-N 383.400 3.484 10 40 GGCB Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 713079 GXLKPZIEYHIDMS-UVTDQMKNSA-N 379.803 3.498 10 40 GGCB O=C(O)[C@H]1CCCN1Cc1c(O)cc(O)c2c(=O)c(-c3ccc(F)cc3)coc12 4025013 ZIFSINOWVDGDEJ-OAHLLOKOSA-N 399.374 3.059 10 40 GGCB biogenic COC(=O)C1=CN(c2cccc(SC)c2)c2cc(F)ccc2S1(=O)=O 64979197 FJQVFPRKFGZQCD-UHFFFAOYSA-N 379.434 3.487 10 40 GGCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNc3ccccc3C)C2=O)c(C)c1 408527603 GBIWWHINVJIRTK-LFIBNONCSA-N 378.432 3.004 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)S1 3765362 LREMFNAOSDZKAP-AUWJEWJLSA-N 390.804 3.405 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)c1 409129965 LLOWQGXEEHHSPX-GZTJUZNOSA-N 380.469 3.452 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccncc2)SC1=S)c1ccc(Cl)cc1 5813703 TVBLLFGKFHCYQZ-UKTHLTGXSA-N 375.862 3.281 10 40 GGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O 409248263 ORKMPEGNMATRPW-SFQUDFHCSA-N 381.432 3.183 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 408981383 BAXQSYWQOBFYQX-ZSOIEALJSA-N 385.763 3.223 10 40 GGCB COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)c1O 96475863 OYHHQLJNLQXKAQ-RIYZIHGNSA-N 397.343 3.124 10 40 GGCB COc1ccc([C@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCS3)cc1OC 22404640 JKFFBTQGWJNJFS-OAQYLSRUSA-N 385.509 3.101 10 40 GGCB CCOc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccco3)C1=O)C(=O)N2 12437053 FEULZIKPOVNNJT-PFONDFGASA-N 386.454 3.402 10 40 GGCB C#CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 35203048 SIKTUIKFQFHKJW-ZROIWOOFSA-N 387.222 3.467 10 40 GGCB CCCN1C(=O)/C(=C\Nc2cc(OC)c(OC)cc2C(=O)OC)SC1=S 101487397 ZWLSBRGNYIOUGC-NTEUORMPSA-N 396.490 3.014 10 40 GGCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1CCCCC1 4176460 XXMASKCASMFSRT-NTCAYCPXSA-N 378.494 3.430 10 40 GGCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(C)C3=O)cc21 208461592 BATLZSHICGZCAG-NTUHNPAUSA-N 389.908 3.228 10 40 GGCB COc1ccc(N2CCN(C(=O)CCN(C)Cc3ccc(C)cc3C)CC2)cc1 32776750 DJSCIDJZCNKROD-UHFFFAOYSA-N 395.547 3.483 10 40 GGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 408816816 SKSHHBGJNKXDFK-GZTJUZNOSA-N 395.371 3.050 10 40 GGCB C[C@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccc(N2CCOCC2)cc1 65598042 PSVGKASMAMISKC-AWEZNQCLSA-N 384.867 3.315 10 40 GGCB COC(=O)c1ccc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 20227001 UATPRTHZCRVKJE-GDNBJRDFSA-N 382.397 3.254 10 40 GGCB O=C(Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1ccccc1O 1547139141 KLEBMUHNDNSTLY-UHFFFAOYSA-N 382.375 3.302 10 40 GGCB biogenic COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(C)C 6479399 CUYWVQJCCSYRAM-LFIBNONCSA-N 394.427 3.457 10 40 GGCB Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 21670542 MCIBPGSIHNDNIK-HOTGVXAUSA-N 384.476 3.157 10 40 GGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(OC)ccc1OC 59435762 XAAJBIZXPWWEPW-BOPFTXTBSA-N 383.400 3.170 10 40 GGCB CCc1ccc2oc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(=O)c2c1 5349092 QKKWDLVDTQMTCT-UHFFFAOYSA-N 392.455 3.326 10 40 GGCB CCOC(=O)[C@H]1C(O)=Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 9262197 OKZKTGMTMCAIRJ-QZTJIDSGSA-N 378.432 3.473 10 40 GGCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(O)cc1 409375965 RLJNDDGFLYHDMH-ODLFYWEKSA-N 377.396 3.472 10 40 GGCB O=[N+]([O-])c1cc([C@H]2OCCCN2Cc2ccccc2)ccc1N1CCOCC1 59489922 JTQQXJFYOUZLSC-OAQYLSRUSA-N 383.448 3.353 10 40 GGCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1Cl 8739934 KJPBKCFNMUBLNM-WDZFZDKYSA-N 388.763 3.267 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1O[C@@H](C)CC 408918949 RAQSFPJUMXMCSF-QVIVLVACSA-N 396.896 3.173 10 40 GGCB O=C1C[C@H](c2ccc(O)c(O)c2)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1 96118142 XGYPEPLNSJPCNQ-CQSZACIVSA-N 390.374 3.445 10 40 GGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N(C)C 408526462 CBJOWQKKXIBXCC-UVTDQMKNSA-N 394.410 3.192 10 40 GGCB Cc1ccc(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1 19902732 CKLBRJFRNFBPAJ-UHFFFAOYSA-N 396.512 3.360 10 40 GGCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)o1 12411797 PKIJMDJTEDEVDO-VBKFSLOCSA-N 381.432 3.409 10 40 GGCB CC1(C)C[C@@]2(C[C@@H](c3ccccc3F)c3ccc(O)c(O)c3O2)NC(=S)N1 13571065 LEGCCBSEPHWKRY-RBZFPXEDSA-N 388.464 3.494 10 40 GGCB COc1ccc(N2CCN(CCCOc3cc(=O)oc4ccccc34)CC2)cc1 575413763 VTJCOOGVMJBASO-UHFFFAOYSA-N 394.471 3.393 10 40 GGCB O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccc(F)cc1 2363758 GIXSHEQAEFBXTA-ZROIWOOFSA-N 398.444 3.248 10 40 GGCB CCCCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O 108002050 DVMXFTNQYUTUIM-UHFFFAOYSA-N 395.253 3.158 10 40 GGCB CCOc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)ccc1OC(C)C 3659503 UDJJUDPRVMLUAA-BOPFTXTBSA-N 384.407 3.473 10 40 GGCB CCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2c(C)noc2n1 19714499 FHJNVXXTYXKSHR-AWEZNQCLSA-N 394.475 3.421 10 40 GGCB Cc1cccc(Cn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 13688817 IEBVSBAHUNWETM-UNOMPAQXSA-N 389.411 3.100 10 40 GGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccco1 1182069 XHISZIPNECQNEU-GSPDUGTFSA-N 387.189 3.265 10 40 GGCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3C)C2=O)cc1 408548899 NBLLMRAQHORAFU-GZTJUZNOSA-N 394.427 3.241 10 40 GGCB Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c3ccccc32)cc1 408914543 QLROVIWZALMAII-WOJGMQOQSA-N 389.480 3.255 10 40 GGCB Cc1nnc(S/C(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)O)o1 7365744 ZSDSFBAPGFIKIZ-NTEUORMPSA-N 376.394 3.104 10 40 GGCB O=C1N=C(S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(O)c(Cl)c1 8768440 VAMWTLAHBKAGEC-YFHOEESVSA-N 376.796 3.427 10 40 GGCB O=C(NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1ccncc1 20010444 RXRUNDLIEFCHFI-JYRVWZFOSA-N 393.852 3.420 10 40 GGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(O)ccc2ccccc12 408886657 HYEVJYMYUGRAJT-PTNGSMBKSA-N 376.343 3.351 10 40 GGCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COC 224688800 SQEYOSBPKUEJLR-UHFFFAOYSA-N 384.476 3.203 10 40 GGCB CCN(CC)c1ccc(/C=c2\sc3nnc(Cc4ccccc4)n3c2=O)cc1 13547110 UNJBKOQHLABJCF-RGEXLXHISA-N 390.512 3.136 10 40 GGCB CC(C)COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 2325845 VPHIXWBWRXDNHM-FCHUYYIVSA-N 385.460 3.402 10 40 GGCB CCCCN1C(=O)/C(=C\c2cc3c4c(c2)CCCN4CCC3)C(=O)N=C1S 6783095 DHUVLFRTAMJPCI-LGMDPLHJSA-N 383.517 3.224 10 40 GGCB O=C(O)CCCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S 15357261 WJXGNLIZOPKOAN-HUHFURAHSA-N 378.431 3.217 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OCC 408802445 FDKIWIFSBXWFRR-SFQUDFHCSA-N 394.427 3.459 10 40 GGCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3)C2=O)ccc1Br 408752219 GSTGIINNCDPECQ-GXDHUFHOSA-N 385.217 3.424 10 40 GGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\SC(=S)NC2=O)c1C 408992377 ATRURTVULPQLJJ-CHHVJCJISA-N 389.458 3.500 10 40 GGCB COc1cc(N2CCCCC2)ccc1CN1CC[C@H](c2cc(=O)[nH]c(C)n2)C1 19285251 FTKDKMGOJRFVQS-KRWDZBQOSA-N 382.508 3.067 10 40 GGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409250570 RBMRAFGVBIGKDW-MHWRWJLKSA-N 398.419 3.314 10 40 GGCB CCN1C=CC(=Cc2sc3ccccc3[n+]2CCCS(=O)(=O)O)C=C1 19913283 PVHGKXWGCJKTLG-UHFFFAOYSA-O 377.511 3.213 10 40 GGCB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 4330475 RTMQNHXDYASUDY-FQEVSTJZSA-N 396.535 3.035 10 40 GGCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OC(C)C 408870895 XDZCUFCEZTWSFF-WJDWOHSUSA-N 396.468 3.314 10 40 GGCB CCN(CC)c1ccc(/C=C2\SC(=S)N(CN3CCOCC3)C2=O)cc1 33326501 OYIPSGXVJUCQGP-LGMDPLHJSA-N 391.562 3.024 10 40 GGCB COc1ccc(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)c(O)c1 72392773 YZDBVDQDCGGCCM-UHFFFAOYSA-N 392.459 3.338 10 40 GGCB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(O)cc1 12628041 PEZKUDLLGKVRNY-AQTBWJFISA-N 383.448 3.324 10 40 GGCB COC(CN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1)OC 17078275 UBMRCENEMUVKQA-RGEXLXHISA-N 383.423 3.059 10 40 GGCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccn3)C2=O)cc1 27530551 JMKCYIJDDDRTQX-RVDMUPIBSA-N 399.497 3.320 10 40 GGCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1O[C@@H](C)C(=O)O 409239434 NINDKPQXLWNTRU-IQGJIOQQSA-N 380.400 3.353 10 40 GGCB COc1ccc(C(=O)NC2(NC3CCCCC3)C(=O)c3ccccc3C2=O)cc1 226297974 RKJURCBVWXVSKX-UHFFFAOYSA-N 392.455 3.123 10 40 GGCB O=C(O)C[C@@H]1CCN(Cc2ccccc2O)C[C@@H]1Cc1nc2ccccc2[nH]1 514289503 MTAHIUUTXKNSNS-RDJZCZTQSA-N 379.460 3.424 10 40 GGCB biogenic,in-vitro O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 6112165 ASMNMRFWPPRIFU-LRQZKABGSA-N 399.449 3.442 10 40 GGCB Cc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22417547 QYKKDXBZLJNSFK-JOCHJYFZSA-N 395.551 3.171 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1c(C)n(C)n(-c2ccccc2)c1=O 100271299 WIRAHGCXQNQXTF-RGEXLXHISA-N 387.443 3.203 10 40 GGCB O=C(CN1CSCC1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10909787 AFPUUDSLROLLSR-JOCHJYFZSA-N 392.480 3.284 10 40 GGCB CN1C(=O)C(=Cc2ccc(OCc3cccc(F)c3)cc2)C(=O)N(C)C1=S 2797270 GIJTUDIVZPJJOO-UHFFFAOYSA-N 384.432 3.003 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1ccccc1F 24208048 UKDZZAYGRQVGMO-UHFFFAOYSA-N 383.467 3.204 10 40 GGCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1O 409147838 WNBMCLITGXIKEZ-ZROIWOOFSA-N 388.832 3.455 10 40 GGCB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)n1-c1ccccc1 15811910 MNLGNYSYHBGMGM-HNNXBMFYSA-N 385.464 3.264 10 40 GGCB CCOc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 408532476 MVHWHRRDNKSQEE-SDNWHVSQSA-N 385.807 3.318 10 40 GGCB COc1ccc(CN2CCN(Cc3c(O)ccc4ccncc34)CC2)cc1F 32888176 LPIACWZKMUSPGK-UHFFFAOYSA-N 381.451 3.406 10 40 GGCB CCC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OC 5175580 KYWPSPXUUFKAAJ-BOPFTXTBSA-N 394.427 3.089 10 40 GGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 5284634 HETYXGGHGLWHNG-YFBAIUBQSA-N 380.447 3.295 10 40 GGCB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1ccc(N2CCOCC2)c(F)c1 19712314 FMMVMIISYNWWBA-FCHUYYIVSA-N 389.515 3.028 10 40 GGCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1 6428265 RGJGIZYSUCKPIQ-UHFFFAOYSA-N 385.375 3.258 10 40 GGCB Cc1cc(C)c(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1C 96935906 TZMWJAPYKLWNQA-SFQUDFHCSA-N 376.547 3.145 10 40 GGCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 409400460 RELFNSXGGRYJNV-PDGQHHTCSA-N 388.379 3.415 10 40 GGCB O=C([C@H]1CCCN(Cc2cc(Br)ccc2O)C1)N1CCCCC1 1252985 ZMANJYIMOJSBKQ-AWEZNQCLSA-N 381.314 3.379 10 40 GGCB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 7504938 ICAPRCSZJGQTCU-NRFANRHFSA-N 384.476 3.210 10 40 GGCB CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102345600 APGBSEMNLDDZGK-GVARAGBVSA-N 389.473 3.265 10 40 GGCB CC[C@@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108978126 SNVJFDPHSVMVAM-JPVKTXQWSA-N 379.460 3.391 10 40 GGCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\C=C\c1ccco1 14010691 AZQODZUJEULAKB-NTOUICHMSA-N 387.189 3.265 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(C)c(C)cc4o3)CC2)cc1 5350963 DNYZWNGLRFDTNF-UHFFFAOYSA-N 392.455 3.381 10 40 GGCB Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1-c1ccccn1 9683447 FXZBVLVORIOGCS-UHFFFAOYSA-N 394.475 3.317 10 40 GGCB COc1cc(C2=NN(C(=O)CN3CCCC3)[C@@H](c3cccs3)C2)ccc1O 95946115 WSZNKKHLAGTINK-MRXNPFEDSA-N 385.489 3.236 10 40 GGCB Cn1c(/C=C2/SC(Nc3ccc4c(c3)OCO4)=NC2=O)nc2ccccc21 5236011 XGNCKDPIQGNFAS-CXUHLZMHSA-N 378.413 3.384 10 40 GGCB COc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc(OC)c1 22418321 JWJWGBAKXITGLQ-HXUWFJFHSA-N 386.496 3.194 10 40 GGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CC(C)(C)NC(C)(C)C1 101152900 AQAZLPKMRJJZBW-AQTBWJFISA-N 399.495 3.490 10 40 GGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 408997263 NKTCRLQYNLNPHC-UHFFFAOYSA-N 389.814 3.320 10 40 GGCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccco3)c3ccco3)CC2)cc1 56946251 OOWWCTMKGJYKRB-LJQANCHMSA-N 395.459 3.175 10 40 GGCB CN(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)cc1 32593719 LHMRROJDTYKDSU-HXUWFJFHSA-N 378.476 3.440 10 40 GGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O 408897225 IKIFYKQVBLXYNO-LFIBNONCSA-N 380.400 3.074 10 40 GGCB Cc1ccc(C(=O)O)cc1NC(=O)C[C@H]1SC(=O)N(c2ccccc2)C1=O 36635225 UDOANPJVDIOUKT-OAHLLOKOSA-N 384.413 3.290 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COCC[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 252505320 KTLXAERMSRLXKX-ITTUMRLJSA-N 388.552 3.021 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)c3ccc4[nH]cnc4c3)cc2F)C[C@@H](C)O1 48356583 ZVQDKPIUTXRFJH-OKILXGFUSA-N 382.439 3.246 10 40 GGCB COc1ccc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 974175 JPUOOFFOCQQDJL-RIYZIHGNSA-N 392.333 3.184 10 40 GGCB CCc1nnc(S/C(=C\c2ccc(N(CC)CC)cc2OC)C(=O)O)[nH]1 7342455 BWXHHAHOPHZHEZ-GDNBJRDFSA-N 376.482 3.440 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Cl)N3CCOCC3)ccc21 22733419 BOWYKECULZKCMQ-OAQYLSRUSA-N 399.922 3.136 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)Cn3nnc4ccccc4c3=O)c2C)cc1 3579171 MOEMSDSGCGUEOL-UHFFFAOYSA-N 388.427 3.091 10 40 GGCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 6043981 DLOOSDYECVAMFR-SFQUDFHCSA-N 393.418 3.401 10 40 GGCB NC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)CC1 96346738 ZIURTVIQDJEJSK-SFQUDFHCSA-N 381.457 3.114 10 40 GGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC(C)(C)C 107554507 LMMSVOYBFMKHMS-WJDWOHSUSA-N 396.443 3.343 10 40 GGCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc21 113778694 NVMZZLNKCKVXER-LLVKDONJSA-N 389.883 3.496 10 40 GGCB CCCN1C(=O)/C(=C\c2ccc(I)o2)SC1=S 4699798 ZZCCWCKRIWCQJO-SOFGYWHQSA-N 379.244 3.495 10 40 GGCB CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 69208387 NKDONKIKAZZSLK-AWEZNQCLSA-N 375.419 3.338 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(C(=O)O)cc1 5372906 GUNGVYVTWSIVNE-JXAWBTAJSA-N 393.468 3.177 10 40 GGCB COc1ccc(N2CCN(C(=O)CCN3CCc4sccc4[C@H]3C)CC2)cc1 32776780 FVLRXAMJNQIGPU-QGZVFWFLSA-N 399.560 3.415 10 40 GGCB CC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc(OC)cc2)CC1 57669472 BOQCXHVGULPCPC-HXUWFJFHSA-N 384.528 3.460 10 40 GGCB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 408937078 MIRGYADBEDYSLR-BOPFTXTBSA-N 395.371 3.050 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 409000014 MCORYDIKHFKCGY-RGEXLXHISA-N 392.415 3.238 10 40 GGCB COCCn1c(C)cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1C 409145236 PULRYJHYVVKSDF-HEUOVEHFSA-N 380.535 3.132 10 40 GGCB CCc1nc(S/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)O)n[nH]1 213395280 WPZWUFUAKMBROH-WQLSENKSSA-N 397.298 3.413 10 40 GGCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)C1 48356072 JGQCUNUTAZBDHI-HNNXBMFYSA-N 386.883 3.363 10 40 GGCB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1 13351461 MJFJHCRUAJPBHW-INIZCTEOSA-N 387.432 3.277 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccccc1Cl 13534690 IKFMTUIKZJWZRD-LCYFTJDESA-N 375.862 3.281 10 40 GGCB Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1090166 BPPTTWSXKBRQGZ-SXGWCWSVSA-N 398.465 3.270 10 40 GGCB CC1=CC(C)(C)N(C)c2cc(C)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 113814790 SPQGRYMOWXXRFF-UHFFFAOYSA-N 383.517 3.225 10 40 GGCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409237881 KETRVILVPWCXPL-GXDHUFHOSA-N 393.390 3.358 10 40 GGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1 223574771 JAIZMBGLGDFQHX-SFTDATJTSA-N 392.528 3.454 10 40 GGCB COc1c(Cl)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Cl 6453520 KLUPZWQUNJPPIL-RUDMXATFSA-N 378.258 3.288 10 40 GGCB CN1CCN(c2ccc(CNC(=O)COc3cccc4c3CCCC4)cc2)CC1 96125648 NRTGBUSJNLJUPS-UHFFFAOYSA-N 393.531 3.012 10 40 GGCB CN(C)Cc1cc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)ccc1O 19583379 UGJYVOOHZGOSAH-GOTSBHOMSA-N 379.548 3.345 10 40 GGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccn2)C1=O 4745316 COODEGDYBJFVPN-QINSGFPZSA-N 399.497 3.320 10 40 GGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(F)cc1 4999670 YGQZLKIEZNKRKA-MOSHPQCFSA-N 397.406 3.486 10 40 GGCB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O 409072966 FOHMNLDMWUIXLG-MOSHPQCFSA-N 395.434 3.064 10 40 GGCB CCOc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 225775954 PYMDTGMECOMYMD-UHFFFAOYSA-N 384.549 3.324 10 40 GGCB COc1ccc(N2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 58158692 PKRGJOZUJUGACA-UHFFFAOYSA-N 393.409 3.475 10 40 GGCB CCOc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC 12638356 UWGUJYFAGHGQNR-UHFFFAOYSA-N 384.476 3.203 10 40 GGCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccccc1 5047706 IPAFYRIRINQPAC-JXAWBTAJSA-N 394.456 3.387 10 40 GGCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(OC)c1OC 408935087 GMMSGXBZXMHPNY-MHWRWJLKSA-N 380.400 3.154 10 40 GGCB O=C(O)C1=C[C@@H](c2ccccc2O)n2nc(SCc3ccccc3)nc2N1 102335992 UGKWSODRGDXHDR-HNNXBMFYSA-N 380.429 3.259 10 40 GGCB Cc1ccc(NN/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(C)c1 408535590 TZODXFSOGKXEKE-LFIBNONCSA-N 378.432 3.004 10 40 GGCB Cc1cc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(C)n1-c1ccccn1 9338589 PXIQAGGJPILXQM-UHFFFAOYSA-N 379.460 3.381 10 40 GGCB COc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1OC 16227142 BAFDVSVWOKWOPJ-ZROIWOOFSA-N 397.343 3.119 10 40 GGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1F 6548252 JMSKVMGUAITQDG-GZTJUZNOSA-N 397.406 3.071 10 40 GGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(OC)c(OC)c3)CC2)cc1 1462323 JPARXSHHCJDBPZ-VZUCSPMQSA-N 382.460 3.074 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccccc1Br 5650182 YWJKLPWCFDWIBC-ZRDIBKRKSA-N 386.205 3.028 10 40 GGCB CCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC 408870139 VEOLYFKXVWXNCE-VBKFSLOCSA-N 396.468 3.315 10 40 GGCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OCC)c2)SC1=S 409346563 LKMCIQYKJVSZPO-GDNBJRDFSA-N 395.502 3.248 10 40 GGCB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1cc(C)ccc1O)C2 19133552 MSIDIPCHURHMRC-FQEVSTJZSA-N 380.492 3.122 10 40 GGCB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 2432789 JAVGUEBTEHZQPX-FQEVSTJZSA-N 389.459 3.333 10 40 GGCB COc1cc(NS(=O)(=O)c2c(C)ccc3nsnc23)c2ncccc2c1 2870344 JGPMWRONLKTODN-UHFFFAOYSA-N 386.458 3.357 10 40 GGCB CC1CCN(C2=NN3C(=N)/C(=C/c4c[nH]c5ccccc45)C(=O)N=C3S2)CC1 41084611 MYMLEMOFVBRDRL-SRRKIXIOSA-N 392.488 3.476 10 40 GGCB CN1CCN(c2ccc(CNC(=O)COc3ccc4c(c3)CCCC4)cc2)CC1 222609317 UTLDATGCGBLRIL-UHFFFAOYSA-N 393.531 3.012 10 40 GGCB CN(C1=NC(=O)/C(=C\c2nc3ccccc3n2C)S1)c1ccccc1C(=O)O 5236019 CHIPXAJCSKTAAR-LFIBNONCSA-N 392.440 3.378 10 40 GGCB CN1N=C(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)CCC1=O 10913695 MICWZRLYTPDQCA-JOCHJYFZSA-N 387.439 3.359 10 40 GGCB CCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 9188426 GBYSPJMVMSYQMA-KHPPLWFESA-N 383.292 3.383 10 40 GGCB CC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 57670585 OITPKKAIKLDVDG-NRFANRHFSA-N 392.507 3.003 10 40 GGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 4834491 YXIFHXSSASDIOC-SSZFMOIBSA-N 396.422 3.251 10 40 GGCB COCC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1O 12372222 BLBJXRFPLLEOLV-UYRXBGFRSA-N 388.427 3.319 10 40 GGCB O=C(O)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 4356707 DXYAHURKIPWRTB-ZROIWOOFSA-N 385.422 3.489 10 40 GGCB Cc1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 69367450 CGVJFUQCOCISRF-UHFFFAOYSA-N 385.411 3.237 10 40 GGCB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4O)c3C)C(=O)N=C2S1 33535476 YCADZVDNVXFWAJ-FMVWKBIMSA-N 379.445 3.439 10 40 GGCB O=C1N=C(N2CCOCC2)S/C1=C\c1c[nH]c2ccc(Br)cc12 15231183 ULWORUFKVXFPNJ-AUWJEWJLSA-N 392.278 3.233 10 40 GGCB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(N2CCCCC2)cc1 28924246 LPBDLTKQVVLHAJ-JOCHJYFZSA-N 392.503 3.014 10 40 GGCB CO[C@H]1OC[C@@H](N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 4934372 LDKUKCNTXKOLMH-VIPLHTEESA-N 397.387 3.119 10 40 GGCB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccc2c(c1)OCO2 2635185 NPLWSQSHTUVETC-UHFFFAOYSA-N 382.441 3.431 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)cc1 5277461 DVRHOURRYGXXDM-UHFFFAOYSA-N 395.459 3.150 10 40 GGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)c(OC)c1 1239041 OGXZOBNTPCLLOW-CHHVJCJISA-N 395.502 3.104 10 40 GGCB Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc([N+](=O)[O-])o4)C(=O)N=C3S2)c1 6412218 ZWOAGUHLJDGYSX-PEMMUPCOSA-N 381.373 3.164 10 40 GGCB Cc1ccccc1[C@@H]1C=C(c2ccc(N3CCOCC3)c(F)c2)Nc2nnnn21 103267287 YVFCDVZADQKMTN-FQEVSTJZSA-N 392.438 3.013 10 40 GGCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 5033136 JKMLZLNDIURPFE-MKVLZVNKSA-N 375.471 3.460 10 40 GGCB CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-] 37246063 DTOKMRPGYNPGPJ-JARUQAPTSA-N 386.376 3.101 10 40 GGCB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 12564701 KAGCYOQNWNKZPG-UHFFFAOYSA-N 390.487 3.396 10 40 GGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(O)c(Br)c1 33668697 XZUJQBFJQCEAIH-WDZFZDKYSA-N 393.624 3.270 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)Cn1c(=O)oc2cc(Cl)ccc21 12555541 FTYQTNFUEONOHY-UHFFFAOYSA-N 387.867 3.174 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O 108013493 GARZHABMPZSNLM-HMHNVIDESA-N 392.452 3.332 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccc(C)cc3)CC2)cc1 72328652 WDLHERLFEQWLSV-UHFFFAOYSA-N 376.460 3.356 10 40 GGCB O=C1C(=O)C2(C[C@@H]1S(=O)(=O)c1ccccc1)c1ccccc1-c1ccccc12 1618274 JCRIPFDYTMDRHF-FQEVSTJZSA-N 388.444 3.338 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl 12548913 FGPMRSBXJIIWBT-UHFFFAOYSA-N 394.302 3.448 10 40 GGCB O=C(CCC(=O)c1cccs1)NCc1ccc(N2CCC(CO)CC2)cc1 58107881 NFZGJPNBBGFBIQ-UHFFFAOYSA-N 386.517 3.236 10 40 GGCB CN(C)c1ccc(/C=C/C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 5797702 JOUOUFZTLAZHQI-RGFVMQALSA-N 377.444 3.059 10 40 GGCB C=CCOc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 107939554 BTYRDMPGIUQTMC-LFIBNONCSA-N 384.819 3.375 10 40 GGCB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(NS(C)(=O)=O)ccc1O 55138725 LJZAAFFRUADKNU-UHFFFAOYSA-N 392.521 3.052 10 40 GGCB CCN(CC)c1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 8723277 IOMUSKBAVCOYNX-UHFFFAOYSA-N 382.537 3.390 10 40 GGCB CCOC(=O)c1ccccc1N/C=C1/SC(=S)N(CCCOC)C1=O 101472369 BZCRPCDJWSOXSJ-SDNWHVSQSA-N 380.491 3.013 10 40 GGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 3049686 CDACBOBBSVCLPC-ZROIWOOFSA-N 386.791 3.024 10 40 GGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCCC3)C2=O)cc1 1227404 DHBSFLPBRZHUAA-DTQAZKPQSA-N 390.530 3.299 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1ccccc1 4190230 GBNGVPPBOWWNNN-NBVRZTHBSA-N 394.456 3.387 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCC3(CC3)CO4)CC2)cc1 225367204 RCULHDYXGKQQKL-UHFFFAOYSA-N 394.471 3.209 10 40 GGCB COc1ccc(N(C)CCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225799261 KUOGDBXCIAPJCM-UHFFFAOYSA-N 398.532 3.245 10 40 GGCB CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 5568927 WHCHWOOKRUMGSM-UHFFFAOYSA-N 397.500 3.092 10 40 GGCB CCN(CC)c1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1 1129950 STERAJHUBHMKQR-FOWTUZBSSA-N 382.514 3.273 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1c(=O)cnc2ccccc21 12565199 OPSXHUHIFJGDTL-UHFFFAOYSA-N 390.487 3.045 10 40 GGCB COCCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C 408967271 UFPGWERVMXWPLL-XDHOZWIPSA-N 395.459 3.035 10 40 GGCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cc(Cl)ccc1Cl 409001678 QGELZQNDBMIWDG-UHFFFAOYSA-N 378.215 3.150 10 40 GGCB CN(C)c1ccc(N/C=C2\C(=O)N=C(O)N(CCC3=CCCCC3)C2=O)cc1 102621724 OHNGUUVGPAAKLS-NBVRZTHBSA-N 382.464 3.222 10 40 GGCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(OC)c1OC 13752195 AJLRZLKECXRFHC-CDCQXCROSA-N 395.502 3.093 10 40 GGCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(C)=C3C(=O)OC)c2C)cc1 14010544 WQICDIDXROJYDA-UNOMPAQXSA-N 380.444 3.453 10 40 GGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2cccs2)cc1 7278557 XDETVKOYFYIFGF-QGZVFWFLSA-N 380.535 3.184 10 40 GGCB COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)O)C3=O)c2C)c1 409134276 NZHZBDIEGJFPBZ-PXNMLYILSA-N 386.429 3.224 10 40 GGCB CCCc1ccc(C[C@]23O[C@]2(C(=O)OCC)C(=O)c2ccccc2C3=O)cc1 101461201 PJSDXXBKHGOAJG-PKTZIBPZSA-N 378.424 3.332 10 40 GGCB CC1=CC2=NC(=O)/C(=C/c3cccn3CCOc3ccccc3C)C(=N)N2O1 41078250 WZIBIITYIIVRJQ-GGYXWTDNSA-N 376.416 3.326 10 40 GGCB O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccc(O)cc1 20264950 BGIOAVKBBPKLAU-SXGWCWSVSA-N 395.465 3.420 10 40 GGCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c1C 59109465 IBZKBPGNHYCBQX-OQLLNIDSSA-N 398.444 3.408 10 40 GGCB O=C([C@@H]1CCCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1)N1CCOCC1 54447851 IEUBLUSUNVNVDB-MRXNPFEDSA-N 398.503 3.088 10 40 GGCB Cc1cc(O)c(Sc2ncn[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1 4735772 ZERINNQYDAONIS-UHFFFAOYSA-N 396.881 3.424 10 40 GGCB O=C(O)CN1C(=O)/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S 2124439 CIKKGNNNSYXFHP-XNWCZRBMSA-N 393.229 3.187 10 40 GGCB O=C(O)CCN1C(=O)/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S 1750230 OAFMWKMIUAMPHN-MITUOZDPSA-N 398.849 3.393 10 40 GGCB Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Sc3nc(C)n[nH]3)c2)cc1 5447761 AFFLOKIJBAPXDH-UHFFFAOYSA-N 390.490 3.388 10 40 GGCB CC[C@H](OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 23224656 TVUIBCQMARNZQF-GGAORHGYSA-N 384.520 3.346 10 40 GGCB CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)[C@H]1/N=N/c1ccccc1 100245006 QDTMJKXRTWLGGY-MJWGMMHASA-N 392.824 3.462 10 40 GGCB COC(=O)c1ccc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)o1 6428101 LILKBIHNGDUYPF-UHFFFAOYSA-N 390.347 3.199 10 40 GGCB CCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 408537576 FTTRQMXFQWZIRP-UHFFFAOYSA-N 394.855 3.447 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccccn2)o1 408987116 ALAIPNGHAKOPBO-NTCAYCPXSA-N 391.408 3.492 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(O)c1 409061939 KEVCYFQTXWXCFS-BOPFTXTBSA-N 395.411 3.287 10 40 GGCB COc1ccc2c(c1)CCCN2Cc1nc(N)nc(Nc2ccccc2C)n1 32853381 RDUYXNIWNFFFEC-UHFFFAOYSA-N 376.464 3.467 10 40 GGCB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(O)c4)c3C)C(=O)N=C2S1 5369507 BQEJSOXNYLUUDN-MZAFNCFESA-N 379.445 3.439 10 40 GGCB Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccc2c(c1)CCC2 7148666 QPUSQOQKVWREEA-UHFFFAOYSA-N 375.428 3.413 10 40 GGCB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214195 MIJZYJQGRFTSCJ-HXUWFJFHSA-N 377.444 3.274 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCC2 2801617 KAUAXXYGEUBGJP-CHWSQXEVSA-N 377.462 3.409 10 40 GGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 107620691 WNIYDQMDSRBMJY-GZTJUZNOSA-N 395.802 3.386 10 40 GGCB CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665410 BZIGSEDGWRWARK-QFIPXVFZSA-N 380.536 3.142 10 40 GGCB COc1cccc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)c1OC 12438406 PJEKOILLZDITLD-RPHSKFLZSA-N 381.475 3.014 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1OC(F)F 39995688 FMORMNPOXWPFMA-UHFFFAOYSA-N 376.403 3.397 10 40 GGCB COc1ccc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)cc1OC 35042554 SHDYOFKNZWJDMC-MHWRWJLKSA-N 384.413 3.484 10 40 GGCB COc1ccc(C2=NN(C(=O)/C=C\C(=O)O)[C@@H](c3cc(C)ccc3O)C2)cc1 80316287 DEQIHDAZIMHIAM-HJCTWCACSA-N 380.400 3.028 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)C2=O)cc1 2982424 ORSJRNLLRPZMBT-LDADJPATSA-N 389.411 3.162 10 40 GGCB CCCc1ccc(C[C@@]23O[C@@]2(C(=O)OCC)C(=O)c2ccccc2C3=O)cc1 101461200 PJSDXXBKHGOAJG-XZOQPEGZSA-N 378.424 3.332 10 40 GGCB O=C(O)[C@H](Cc1ccccc1)NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3 4037319 XKZOQPCOAKEAMA-IBGZPJMESA-N 393.439 3.163 10 40 GGCB biogenic O=C(NCc1ccc2c(c1)OCO2)c1ccc(C(=O)C(=O)c2ccccc2)cc1 6935187 HUZRSISEIQYWQG-UHFFFAOYSA-N 387.391 3.411 10 40 GGCB CCOC(=O)c1[nH]c(C)c(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c1C 6674422 DIABKRZJOXINQE-LICLKQGHSA-N 395.415 3.313 10 40 GGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Cl)c(Cl)c1 106718525 GVXSKNCIVLAGGH-XFFZJAGNSA-N 380.187 3.161 10 40 GGCB COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(OC)cc34)CC2)cc1 57570173 BAKPHQHIABKVIX-UHFFFAOYSA-N 380.444 3.132 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(-c2cccs2)n[nH]c1=S 12565024 VNHXXEAOEGCMTC-UHFFFAOYSA-N 387.534 3.394 10 40 GGCB COc1ccc(N(CCC(N)=O)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 12544145 PYSLOZWKGDJVHG-UHFFFAOYSA-N 386.839 3.281 10 40 GGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408895858 WAQAZQWGRDZAHP-JJBLJPBOSA-N 393.439 3.397 10 40 GGCB NC(=O)Cn1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)c2ccccc21 33613243 JDALTLPENWENCJ-YVLHZVERSA-N 376.441 3.209 10 40 GGCB CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)S2 1636459 NFRKBWQUXLOCMO-XYOKQWHBSA-N 377.423 3.216 10 40 GGCB Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5552970 IAQMJDMASBHQCO-YBEGLDIGSA-N 382.466 3.354 10 40 GGCB CCCCS(CCCC)=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 13777634 RMSFXWBCYKPLTO-UHFFFAOYSA-N 380.485 3.446 10 40 GGCB Oc1cc2c(cc1CN1CCCN(c3ccc(C(F)(F)F)cn3)CC1)OCO2 14180210 KNDCLPRGHZIYBJ-UHFFFAOYSA-N 395.381 3.247 10 40 GGCB Cc1cc2c(cc1C=C1C(=O)N(C)C(=S)N(C)C1=O)[C@H](C)CC(C)(C)N2C 113776953 ZIDCOOVBZGHIBF-CYBMUJFWSA-N 385.533 3.316 10 40 GGCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccccn1 9379093 NHEIXUGIEQRMMA-RCDICMHDSA-N 394.475 3.173 10 40 GGCB Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409191872 PHOCANZCYHXNCR-WOJGMQOQSA-N 390.399 3.429 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cnc(-c4ccc(F)cc4)nc3)CC2)cc1 222617188 NEKZOAVEOARELJ-UHFFFAOYSA-N 392.434 3.254 10 40 GGCB Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc5c(c4)OCO5)C(=O)N=C3S2)c1 1163221 CKNXMZQVRYGIAT-ZSCJGDHMSA-N 390.424 3.391 10 40 GGCB O=S(=O)(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1ccc(Cl)cc1 5545049 RSHGQATUUXQKGC-UHFFFAOYSA-N 382.854 3.116 10 40 GGCB NC(=O)COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1Cl 33684996 GGJUEYBTZOIQJW-DHDCSXOGSA-N 387.848 3.287 10 40 GGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1 223574623 JAIZMBGLGDFQHX-NHCUHLMSSA-N 392.528 3.454 10 40 GGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cccc(O)c1 19841889 GOMJVUOOUNURJJ-RGEXLXHISA-N 379.485 3.180 10 40 GGCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N\c1ccc([N+](=O)[O-])cc1Cl 104204112 QDFFKVRACYGSJQ-SXZOAGKDSA-N 386.755 3.154 10 40 GGCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3)C2=O)c(OC)cc1Cl 408768576 HHJMYBUJPVGJEU-XYOKQWHBSA-N 386.791 3.024 10 40 GGCB Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)o3)C(=O)NC2=S)c1 4739005 JTCJZNBWOCGBQK-LGMDPLHJSA-N 395.484 3.410 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(Br)c3)C2=O)cc1 408778927 MZMFYNDVVHWQGP-XNTDXEJSSA-N 385.217 3.424 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCC(C)(C)CO4)CC2)cc1 225361724 QKUPKJHIQDNGNY-UHFFFAOYSA-N 396.487 3.455 10 40 GGCB Cc1cccc(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2SCCC3)c1C 4086766 JYGDXYZIISFLST-JOCHJYFZSA-N 397.520 3.245 10 40 GGCB CCOc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 101086124 YQHCYBPCIADKLQ-PDGQHHTCSA-N 395.484 3.446 10 40 GGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 5947554 NDHQPJYMZNGNOZ-AQTBWJFISA-N 396.422 3.251 10 40 GGCB COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(OC)c1C 409134045 ONQATDFXFFYQEO-WJDWOHSUSA-N 382.441 3.413 10 40 GGCB C[C@H]1CCCN(S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1C 245297751 WYBUOSWWGOFHSB-KBPBESRZSA-N 383.469 3.271 10 40 GGCB COCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100376411 XJUZFDCIXCFGHO-FYWRMAATSA-N 378.457 3.167 10 40 GGCB CN1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N(C)C1=O 975216 VDXCPEWEBMPMJH-UHFFFAOYSA-N 378.306 3.399 10 40 GGCB O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1c(O)ccc2c1CCCC2 72304338 QGWTUOBZKOEHMO-LJQANCHMSA-N 382.485 3.390 10 40 GGCB CN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)NC1=S 6568858 AXWJUABYGHFNEL-MHWRWJLKSA-N 393.443 3.085 10 40 GGCB Cc1ccc(C)c(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 6471461 YVZSHAJHLOXPGV-JTQLQIEISA-N 378.519 3.389 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 408903366 RRHVDMFPIMASLZ-QGOAFFKASA-N 379.391 3.092 10 40 GGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408893940 OQSRGDZGXZGQFW-WJDWOHSUSA-N 394.383 3.481 10 40 GGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(C)C 6327164 CTBBSDRRFOGQDO-VGOFMYFVSA-N 381.475 3.016 10 40 GGCB COc1c(C(C)C)c(O)c(O)c2c1[C@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 604379906 TZZLSFDQMRMADF-JPCHKZQCSA-N 376.449 3.266 10 40 GGCB biogenic,in-vitro O=C1c2ccccc2C(=O)[C@H]2S[C@@H]3C(=O)c4ccccc4C(=O)[C@H]3S[C@@H]12 101332056 BQPAVUCZTHBGEU-WTGUMLROSA-N 380.446 3.099 10 40 GGCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1C 408592637 NDELEZMXVOYHLX-VIZOYTHASA-N 387.823 3.033 10 40 GGCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccsc1 4655901 QKYIEGKGAOIAOQ-GHXNOFRVSA-N 393.287 3.342 10 40 GGCB COc1ccc(N(C)CCNC(=S)Nc2ccc(OC)cc2OC)cc1 225797720 VKVMWBOGFWXSOG-UHFFFAOYSA-N 375.494 3.135 10 40 GGCB N=C1/C(=C/c2ccc(C(=O)O)cc2)C(=O)N=C2SC(c3cccs3)=NN12 15227593 NXPHAWHJEXADKB-TWHPYUGFSA-N 382.426 3.114 10 40 GGCB COC(=O)c1[nH]c2ccccc2c1/N=N/N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16042056 IXWNPEOFLGJGLY-WGZLRRDASA-N 391.431 3.234 10 40 GGCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)cc1 57669780 MPRLUGVIOOIYFZ-IBGZPJMESA-N 386.544 3.346 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc4cccc(C)c4oc3=O)CC2)cc1 226035448 PYPKYWWYIOSRCE-UHFFFAOYSA-N 378.428 3.072 10 40 GGCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NC1CCCC1 16672836 KOWLNHFRABQEAI-RVDMUPIBSA-N 378.494 3.476 10 40 GGCB COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OC(C)C 1281954 GOBUWNHWWXAYBO-DOQDJBIESA-N 381.475 3.157 10 40 GGCB O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1cccc(O)c1 16922195 DNHMCALEDKMNLD-NVNXTCNLSA-N 388.445 3.371 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COCC[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 252505319 KTLXAERMSRLXKX-BPBCIEFSSA-N 388.552 3.021 10 40 GGCB COc1cc(Br)cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c1O 58865573 NOKKMNXLUYEDDH-UHFFFAOYSA-N 397.221 3.307 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1OC 409221889 VPTVKNMWSVZARL-RVDMUPIBSA-N 396.468 3.152 10 40 GGCB Cc1nn(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(C)c1[N+](=O)[O-] 2640031 YTOKFCMZCQOBKF-UHFFFAOYSA-N 396.403 3.427 10 40 GGCB COc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c2ccccc12 645777 JEEHEHOTUZRVJW-UHFFFAOYSA-N 398.484 3.486 10 40 GGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 59489877 BGUZSMPBVVZAIA-UHFFFAOYSA-N 386.404 3.339 10 40 GGCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(CC)c2C)C1=O 4740073 TZWZYDYNKHYWJH-XDHOZWIPSA-N 394.475 3.219 10 40 GGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2)SC1=S 5374784 QTEVUSAUBMUHMV-XNTDXEJSSA-N 398.465 3.468 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S)c1cccnc1 13692332 VGKHTCLENLDPKJ-YBEGLDIGSA-N 392.465 3.176 10 40 GGCB CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)cc1 408593641 QSTKAPRRXAUXIC-XDHOZWIPSA-N 395.459 3.414 10 40 GGCB Cc1ccc(NC(=O)c2cnn3c(O)cc(CCc4c(C)n[nH]c4C)nc23)cc1 19210699 PJPWBDMVESFBHS-UHFFFAOYSA-N 390.447 3.121 10 40 GGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2cccs2)cc1 7278551 XDETVKOYFYIFGF-KRWDZBQOSA-N 380.535 3.184 10 40 GGCB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 100799164 XHTAAYHQCLFJHY-ACRUOGEOSA-N 393.487 3.399 10 40 GGCB COc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 13615130 HKDOPBVQHJYUFD-WJDWOHSUSA-N 384.482 3.170 10 40 GGCB CCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 11907974 FJDLKGQIFWRIDC-FHWLQOOXSA-N 399.878 3.272 10 40 GGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 100758736 AMJBIUKXOQTZER-JXAWBTAJSA-N 378.432 3.112 10 40 GGCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc4c(c3)OCO4)C2=O)nc1C 6350342 PIEIRMCQWOGXLE-NTUHNPAUSA-N 399.428 3.163 10 40 GGCB biogenic,in-vitro COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(O)c1 2443961 DJHLCKKPYFXRTQ-PDGQHHTCSA-N 393.395 3.056 10 40 GGCB COc1ccccc1CNC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 10056322 AAAWPCWAHDAJGY-UHFFFAOYSA-N 381.520 3.434 10 40 GGCB CCc1nnc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)s1 7423622 DCOXRWGYHZGEGP-UHFFFAOYSA-N 389.506 3.240 10 40 GGCB C[C@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 33315655 SHGLUBCEWOIIIL-RVAQLADHSA-N 393.418 3.129 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(C(F)(F)F)c3)C2=O)cc1 1200571 AGPCGWWIACCADW-XNTDXEJSSA-N 390.317 3.380 10 40 GGCB COc1ccc(OC)c(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)c1 20226915 TWSBGVDWHSKGAP-YBEGLDIGSA-N 384.413 3.484 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(C)c3C)C2=O)cc1 408535184 XVOLFRPBNPPMNC-SFQUDFHCSA-N 379.416 3.281 10 40 GGCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408805825 LSSDMLZDMLKCDP-SFQUDFHCSA-N 380.400 3.150 10 40 GGCB COc1ccc(OC)c(N2C(=O)/C(=C\C=C\c3ccco3)C(=O)N=C2S)c1 8739703 DPUKJPCOFBLQDB-LGMZDBLJSA-N 384.413 3.096 10 40 GGCB CCN1C(=O)C(=C/C=C\c2ccc(N(CC)CC)cc2)C(=O)N(CC)C1=S 31871482 CQMQPWOPDADRPR-KTKRTIGZSA-N 385.533 3.468 10 40 GGCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 2234516 QVNFTRJQBGOJLD-UKTHLTGXSA-N 377.878 3.225 10 40 GGCB Nc1ccc(NC(Nc2ccc(N)cc2)=C(/C=C(/Cl)[N+](=O)[O-])[N+](=O)[O-])cc1 32109900 LNGWJHPZJRTJBY-DHDCSXOGSA-N 390.787 3.178 10 40 GGCB CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(Cl)cc1 95939670 HACHMAXIGFDIIN-DHINHOHASA-N 389.835 3.055 10 40 GGCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cc(Cl)ccc1Cl 409000243 NCYZELIAHIAMAL-UHFFFAOYSA-N 394.283 3.315 10 40 GGCB COc1ccc(N2CCN(C(=O)/C=C/c3c(OC)cccc3OC)CC2)cc1 409247777 NUQSLIAPFJYQGT-VAWYXSNFSA-N 382.460 3.074 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccc(OC)cc34)C[C@H]2C)cc1 95483316 CBRDUXXEIWYHQP-MWTRTKDXSA-N 395.503 3.429 10 40 GGCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2[C@H](C)CC1(C)C 208321160 HTFQQSCXJYKHIQ-BVTUPMQUSA-N 385.533 3.364 10 40 GGCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)s1 8798881 GQTZVFZDTVTOEE-SFHVURJKSA-N 393.578 3.020 10 40 GGCB CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OC 33417414 WSULWUNYYWIZDG-OAMQDSFOSA-N 376.478 3.173 10 40 GGCB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccc2c(c1)OCCO2)C3 939285 HTYGZJSZBNBUCG-UHFFFAOYSA-N 377.396 3.409 10 40 GGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccccc1 4999641 DDDZBSFKYRMDAL-QNGOZBTKSA-N 393.443 3.025 10 40 GGCB COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 7908432 HMOLWQQEBSPNTI-UHFFFAOYSA-N 399.310 3.002 10 40 GGCB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217034446 HIHWLWDNGNTDEY-HXUWFJFHSA-N 385.483 3.051 10 40 GGCB COc1ccc(C2(NCc3cc(OC)c(N4CCOCC4)cc3OC)CC2)cc1 12361936 KNPINKRFPQIDEN-UHFFFAOYSA-N 398.503 3.328 10 40 GGCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)o2)cc1 30696541 PHOIXKFTWQSCIU-FZVWOUGZSA-N 394.412 3.372 10 40 GGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2[N+](=O)[O-])cc1 11915366 PFZTYGVBZXJIEZ-SFHVURJKSA-N 383.448 3.482 10 40 GGCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc2ccccc2c1 408994827 JRSCNEPUVNIVKJ-UHFFFAOYSA-N 375.453 3.162 10 40 GGCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1cccc(Cl)c1Cl 101637847 IQHMGUNSTKXVMX-JXMROGBWSA-N 388.218 3.150 10 40 GGCB Cc1nc2cc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc2[nH]1 2738906 DTXDJKLZPQPXLV-ZROIWOOFSA-N 395.806 3.104 10 40 GGCB CC(C)(OC(=O)N[C@H](CC(N)=O)C(=O)O)c1ccc(/N=N\c2ccccc2)cc1 104198893 CYAURHDYGNVMLA-PGIRIEJUSA-N 398.419 3.392 10 40 GGCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC 35167388 RLNNFCXEZPLCRC-AQTBWJFISA-N 378.428 3.284 10 40 GGCB CN1CCCc2cc(CN3CCc4c(O)nc(-c5ccncc5)nc4C3)ccc21 19589316 JQFTYPWBAMEYAI-UHFFFAOYSA-N 387.487 3.185 10 40 GGCB Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccc(F)cc1 7985317 CXMQPXMWPFVOHU-UHFFFAOYSA-N 395.434 3.424 10 40 GGCB COc1ccccc1-c1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O 19682125 JQJJXTBLXLMADV-UHFFFAOYSA-N 394.471 3.230 10 40 GGCB biogenic CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 844064 WACIBPZISZOWNC-LDADJPATSA-N 394.427 3.443 10 40 GGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 5551961 RARZBAJNPDLHIJ-VWLVURMCSA-N 380.447 3.439 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccsc1C(=O)O 24765203 GEUVXPSEFNFZLW-UHFFFAOYSA-N 394.518 3.257 10 40 GGCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)o1 58201335 NXEFOGASXXCBTJ-UHFFFAOYSA-N 393.281 3.181 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OCC)c1 408850092 FRLFGVRXAFCIPH-GZTJUZNOSA-N 398.390 3.290 10 40 GGCB O=C(NC1(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 226297557 WCLXCKAFZDPERQ-UHFFFAOYSA-N 382.847 3.331 10 40 GGCB COc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OCCc1ccccc1 5879814 YZFOSTUFYXMXHR-UHFFFAOYSA-N 382.441 3.071 10 40 GGCB CN(C)c1ccc([C@@H](CNC(=O)C2CC2)N2CCN(c3ccccc3)CC2)cc1 22665175 LWGGVTZKZDVFGH-HSZRJFAPSA-N 392.547 3.142 10 40 GGCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1cccc(C)c1 59194405 ZQEAOVQQWKRCFT-UHFFFAOYSA-N 394.427 3.016 10 40 GGCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1OCC 113837367 KYOHDYFUPTYVES-XNTDXEJSSA-N 395.502 3.248 10 40 GGCB CN1CCCc2cc(CNC(=O)NCc3ccc4c(c3)CCCN4C)ccc21 58516835 HGOLNTZNRGBVIW-UHFFFAOYSA-N 378.520 3.451 10 40 GGCB Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(Br)cc1 22033202 VWTMJOABLFPUMH-UHFFFAOYSA-N 390.325 3.287 10 40 GGCB CCCCN1C(=O)/C(=C\c2ccc3c(c2)N(CCC)CCC3)C(=O)NC1=S 5151023 IIRYXHQOYWRBCQ-LGMDPLHJSA-N 385.533 3.276 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102345507 IKTCNKUZHDUEKS-AZHAFVHUSA-N 389.473 3.265 10 40 GGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(C(C)C)c3C)C2=O)o1 107763438 BAUFKJNGCAYECL-SXGWCWSVSA-N 385.420 3.158 10 40 GGCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N1 408802213 XRWVHEDWCLWQRW-UHFFFAOYSA-N 391.210 3.322 10 40 GGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cccc(Br)c1 408875782 HQZHCINDKSTVSW-UVTDQMKNSA-N 387.258 3.280 10 40 GGCB CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 6203706 BBRKZGJRVGIPSL-UHFFFAOYSA-N 395.459 3.176 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)CSc3ccccn3)cc2F)C[C@H](C)O1 53360231 SDAPPCSQHSLHKE-GJZGRUSLSA-N 389.496 3.243 10 40 GGCB COc1ccc(O)c(CNC(=O)c2cc(Cl)cc(Br)c2O)c1 72311913 IIDHHBHVRSVZDE-UHFFFAOYSA-N 386.629 3.452 10 40 GGCB CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 409204374 GFBYAJRBLHRLLC-VBKFSLOCSA-N 386.448 3.279 10 40 GGCB Cc1ccc(C(=O)O)cc1NC(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O 36635226 UDOANPJVDIOUKT-HNNXBMFYSA-N 384.413 3.290 10 40 GGCB CCCc1ccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 56997197 CAEXFBAAWXGOSA-UHFFFAOYSA-N 381.520 3.200 10 40 GGCB COc1ccc(N2CCN(c3nc(-c4ccccc4Cl)cc(=O)[nH]3)CC2)cc1 14608489 PPYGGQDZLBAWAQ-UHFFFAOYSA-N 396.878 3.426 10 40 GGCB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2c(C)noc2n1 19715841 NTHUZJCEUAZSAR-CQSZACIVSA-N 380.448 3.167 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104615 ZWKHTRKBHYWIDA-UHFFFAOYSA-N 391.479 3.405 10 40 GGCB CCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCN(C)CC2)c1O 20229609 LEKRUGVRIYDHSO-UHFFFAOYSA-N 378.472 3.475 10 40 GGCB COc1ccc(N2N=C(C)/C(=C(\C)NCc3ccc4c(c3)OCO4)C2=O)cc1 100422846 ZNEBDMRPTXWFSM-MOSHPQCFSA-N 379.416 3.210 10 40 GGCB COc1ccc(OC)c(-c2cc3ccc(O)c(CN4CCOCC4)c3oc2=O)c1 20612232 RCYFBQKKSAQYQT-UHFFFAOYSA-N 397.427 3.015 10 40 GGCB biogenic CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1cc(Cl)cc(Cl)c1 101652947 XSVWPIVZBULYPF-NTUHNPAUSA-N 388.218 3.150 10 40 GGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)cc1 8138866 ZHOKRWZLLFKJBB-UHFFFAOYSA-N 392.459 3.027 10 40 GGCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1O 709402 YCULYGKLZGXTTF-UHFFFAOYSA-N 397.221 3.307 10 40 GGCB CCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC 107574650 ZTVAKZSJYZJETM-UHFFFAOYSA-N 380.828 3.057 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1OC 408991583 QPHNSGNYXHSPFX-LFIBNONCSA-N 396.468 3.152 10 40 GGCB COC(=O)C1=CN(c2ccc(Br)cc2)c2ccccc2S1(=O)=O 64979159 XKJQPMGOMWVIFP-UHFFFAOYSA-N 394.246 3.389 10 40 GGCB COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1OC 225419874 HAKKIVJMTAELDC-UHFFFAOYSA-N 387.505 3.027 10 40 GGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5374073 CRLWIEVYWZVPJE-WXHLEUTKSA-N 393.486 3.174 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc4c(c3)CCC4)C2=O)cc1C 9242568 UVZSSSNOGAAAAQ-UNOMPAQXSA-N 375.428 3.371 10 40 GGCB COc1ccc2c3c(n(CCCN(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 524731961 QTLYBVCCVCBBOI-UHFFFAOYSA-N 392.455 3.182 10 40 GGCB biogenic COc1ccc(OC)c(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)c1 35042533 TWSBGVDWHSKGAP-MHWRWJLKSA-N 384.413 3.484 10 40 GGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)c1 4471221 FHZTVUXBIHOFJK-MLPAPPSSSA-N 384.775 3.044 10 40 GGCB COc1ccc(C(=O)Oc2ccc(/C=C3\SC(NC(C)=O)=NC3=O)cc2)cc1 408753491 JCEOHPCJMQFFJD-BOPFTXTBSA-N 396.424 3.021 10 40 GGCB Cc1ccc(CSCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 216928566 OELWGSQQSMXUBD-UHFFFAOYSA-N 383.561 3.296 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 27157678 IJTMIGWYTMVRMV-OAQYLSRUSA-N 378.472 3.417 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/N[C@H](C)c3ccccc3)C(=O)NC2=S)cc1C 5691065 FKCVYLTWMXLAMJ-GYZOOYGHSA-N 379.485 3.286 10 40 GGCB COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCCC2)cc(OC)c1OC 3053319 QCXGNLZKUHBIHD-FQEVSTJZSA-N 387.432 3.332 10 40 GGCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 4457205 FTZUFBQIHOLNMV-JASJWYONSA-N 392.452 3.414 10 40 GGCB CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 7112769 GZJGMEQUNYFMHR-OAQYLSRUSA-N 377.444 3.475 10 40 GGCB CC(C)n1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 409374646 VRVXRHZXDUSYNT-LICLKQGHSA-N 377.400 3.477 10 40 GGCB Cc1nc2c(C)cccn2c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 19716773 ULJKRURNIXFFIB-MRXNPFEDSA-N 378.476 3.279 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)COc3ccccc3)N3CCCC3)ccc21 8963221 GTHFNFACUMLYIF-JOCHJYFZSA-N 379.504 3.011 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)nn3C)CC2)cc1 35293652 VKTMLBROSLVNAE-UHFFFAOYSA-N 382.489 3.120 10 40 GGCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)cc1 409233527 KXZSCSUIQICCGO-LFIBNONCSA-N 383.473 3.300 10 40 GGCB COc1ccc(CCN2C(=O)/C(=C/c3cccn3C)SC2=S)cc1OC 35040182 DPFDLWYOOCDURD-ATVHPVEESA-N 388.514 3.486 10 40 GGCB CN(C)c1ccc(/C=C/C(=O)N2CCN(C(=O)/C=C/c3cccs3)CC2)cc1 40118496 LGUBVDWFNQSGKA-CRALUGIISA-N 395.528 3.212 10 40 GGCB CCOc1cccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1O 72327160 MMPNXZAQCYENTB-UHFFFAOYSA-N 392.503 3.271 10 40 GGCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)COC2 6221642 KRHRCUHNLPSQJA-LZYBPNLTSA-N 384.844 3.202 10 40 GGCB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(N2CCSCC2)cc1 54035672 GPVNFCCGGXBFMZ-UHFFFAOYSA-N 384.501 3.218 10 40 GGCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(C(=O)O)cc3)S2)c(OC)c1 35043223 LTVNZEDOMJVZLF-CXUHLZMHSA-N 384.413 3.484 10 40 GGCB CC(=O)NN1C(=O)/C(=C2/Oc3ccc(-c4ccccc4)cc3N2C)SC1=S 13549574 FLCXWLREMIEIOS-VLGSPTGOSA-N 397.481 3.263 10 40 GGCB Cc1noc(C)c1CCc1cc(O)n2ncc(C(=O)Nc3ccccc3)c2n1 19580899 PLPBTIYAGNIJNA-UHFFFAOYSA-N 377.404 3.077 10 40 GGCB CC(=O)N1CCc2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)ccc21 54035595 GCNPQHGTLLNNHW-UHFFFAOYSA-N 395.528 3.079 10 40 GGCB CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 409350871 SNLLTRSJWLNEOW-GXDHUFHOSA-N 389.527 3.360 10 40 GGCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3)C(=O)NC2=S)cc1 409370060 KFYFTGUZGAWTRK-SFQUDFHCSA-N 380.469 3.397 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c([N+](=O)[O-])c1 6200611 KPEHWAIDQSDILF-UHFFFAOYSA-N 399.447 3.353 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)Cn1ncn(CCc2ccccn2)c1=S 57837864 KUNRWIOPVHNIKR-UHFFFAOYSA-N 382.537 3.207 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OC 408817106 ZRDNPMLYWSDTQJ-LFIBNONCSA-N 394.427 3.377 10 40 GGCB Cc1ccsc1/C=C1/C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 14011362 ACEDKMXFMBXAMJ-WQLSENKSSA-N 391.246 3.485 10 40 GGCB CCN1C(=O)C(=CNc2ccc3c(c2)-c2ccccc2C3)C(=O)N(CC)C1=O 5557265 WQSHRQFXDKDHHE-UHFFFAOYSA-N 375.428 3.384 10 40 GGCB COc1ccc(N2CCCN(C[C@@H](O)COc3cc(C)cc(C)c3)CC2)cc1 84085947 NOZKQOIPJFVTCX-OAQYLSRUSA-N 384.520 3.264 10 40 GGCB CN1CCCC[C@](C)(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1=O 72372037 CCAMRHWQCPVBRM-XMMPIXPASA-N 399.579 3.384 10 40 GGCB CCCCNC(=O)CN1C(=O)/C(=C/c2ccc(OCC)cc2)SC1=S 4174712 VIJSKPJDIQIGOX-PTNGSMBKSA-N 378.519 3.203 10 40 GGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1O 6479365 FXKTWEXRWIFKKW-KPKJPENVSA-N 386.791 3.029 10 40 GGCB CN1C(=O)C(=Cc2ccccc2OCc2cccc(F)c2)C(=O)N(C)C1=S 59140017 FQNQEDTVGOVONA-UHFFFAOYSA-N 384.432 3.003 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1 1248704 GNVSKZIMYMZBEJ-UVTDQMKNSA-N 385.426 3.141 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S 3532593 VYKVCYQAQFFIGH-RVDMUPIBSA-N 393.486 3.304 10 40 GGCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 13714055 SOBGLRVNGACREC-VJMCZWTHSA-N 395.502 3.093 10 40 GGCB CN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S 408912450 QUVRMZTZLQHMDR-XYOKQWHBSA-N 378.862 3.341 10 40 GGCB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 222903793 GOVBFRMZJAIZMQ-QHCPKHFHSA-N 395.547 3.475 10 40 GGCB Cc1cc(/C=C2\C(=O)NC(=O)N(C(C)(C)C)C2=O)c(C)n1-c1ccc(F)cc1 2343375 KBHHCBIWDVQXFR-GZTJUZNOSA-N 383.423 3.494 10 40 GGCB COc1ccc(/C=C2\SC(=S)N(C(=O)c3cccnc3)C2=O)c(OC)c1 5513231 IGDDILXSGPGRKJ-NVNXTCNLSA-N 386.454 3.140 10 40 GGCB COc1ccc(N2CCOC[C@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)cc1 1565547368 QKJITLWEEVIYNV-HXUWFJFHSA-N 376.472 3.033 10 40 GGCB Cc1cc(CCNC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 11085414 FEPYGQXGPTVFEQ-UHFFFAOYSA-N 396.512 3.470 10 40 GGCB Oc1ccc2ccccc2c1CN1CCN(Cc2nnc3n2CCCCC3)CC1 22846758 YDYXYFUSMALJTB-UHFFFAOYSA-N 391.519 3.181 10 40 GGCB CC(=O)N[C@H]1[C@H](N=[N+]=[N-])[C@@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O[C@H]1OCc1ccccc1 257347625 NHAQKEYPUCFXEJ-QKGCVVFFSA-N 386.376 3.101 10 40 GGCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 50012150 ABHRGTBTOYJOJM-AQTBWJFISA-N 383.444 3.479 10 40 GGCB COc1ccc(N2CCN(c3cc(C)nc4nc(-c5ccco5)nn34)CC2)cc1 9526442 MRWCVZKNNREHBN-UHFFFAOYSA-N 390.447 3.028 10 40 GGCB CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)[C@@H]1/N=N\c1ccccc1 100244990 QDTMJKXRTWLGGY-RAJOGRCSSA-N 392.824 3.462 10 40 GGCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1O 408897959 JMSFUZAXUMNACK-YRNVUSSQSA-N 377.183 3.365 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1 408710951 ZRLKXZXEDPXKKH-RNEAKCBISA-N 392.411 3.075 10 40 GGCB O=C(O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 35648241 XGSDTADDVLFQKU-RIYZIHGNSA-N 385.422 3.489 10 40 GGCB Cc1ccc(C(=O)NC2(N3CCC(C)CC3)C(=O)c3ccccc3C2=O)cc1 226297541 LDLJLMKEQVQJPR-UHFFFAOYSA-N 376.456 3.232 10 40 GGCB COc1ccc(CCN2C(=O)/C(=C3\C(=O)Nc4ccccc43)SC2=S)cc1 2377736 PYESAXGAGLPNCO-WUKNDPDISA-N 396.493 3.461 10 40 GGCB Cc1cccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)c1C 4086753 GMBGKVSQFDJNGY-FQEVSTJZSA-N 384.481 3.382 10 40 GGCB COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 101451564 MSYUVKBZLORHAW-FOWTUZBSSA-N 395.415 3.209 10 40 GGCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)o2)C(=O)NC1=S 4739013 ZQFKFRPGXMFQOJ-SSZFMOIBSA-N 395.484 3.274 10 40 GGCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2OCC)C1=O 409245087 NETNBGBVFBYTOB-FYWRMAATSA-N 380.400 3.150 10 40 GGCB COc1cccc(/C=C2/C(=O)N=C(S)N(c3ccccc3F)C2=O)c1OC 2590167 NBALWMUGKOWPQR-BENRWUELSA-N 386.404 3.086 10 40 GGCB COc1ccccc1N1C(=O)N=C(O)/C(=C\Nc2ccc(NC(C)=O)cc2)C1=O 103111304 FNJVABSASTUIJV-RVDMUPIBSA-N 394.387 3.073 10 40 GGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)c1 4704725 DJBYTVBTKLVMRA-MDWZMJQESA-N 389.205 3.325 10 40 GGCB C[C@@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccc(N2CCOCC2)cc1 68529877 PSVGKASMAMISKC-CQSZACIVSA-N 384.867 3.315 10 40 GGCB Cc1cc(N2CCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225955971 SHPDCLZIEUEXDK-UHFFFAOYSA-N 396.564 3.472 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)NCc3ccccc3)N3CCCC3)ccc21 35597207 FHASIBSSWGJSNZ-JOCHJYFZSA-N 378.520 3.315 10 40 GGCB Cc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 103593461 VIYDGIPUVMAAGU-HXBSJJRASA-N 395.488 3.017 10 40 GGCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(OC)c1OC 13752193 AJLRZLKECXRFHC-ZENNRRHLSA-N 395.502 3.093 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1OC 27563072 SGQUMWPISIQSSW-DHDCSXOGSA-N 395.502 3.247 10 40 GGCB Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1 409010886 GCBPYQUENAAIMC-UHFFFAOYSA-N 395.411 3.232 10 40 GGCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OC(=O)c1ccccc1 8380934 LGMYBJHMEHBLQQ-XDJHFCHBSA-N 384.391 3.367 10 40 GGCB Cc1ccc(O)c(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037977790 IEMZOLLSCXVJKB-QHCPKHFHSA-N 380.488 3.489 10 40 GGCB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 104711994 SGMNZUSZCXNMTN-LJQANCHMSA-N 381.501 3.246 10 40 GGCB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc21 13787396 XDWDBHBLKBKVMN-SXGWCWSVSA-N 394.481 3.120 10 40 GGCB Cc1ccc(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(O)c1 2037977930 YCBZNPUMWNLGMC-QHCPKHFHSA-N 380.488 3.489 10 40 GGCB CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccccc12)c1ccc2c(c1)OCO2 2282881 XCQSYRBNQJAORO-UHFFFAOYSA-N 395.415 3.148 10 40 GGCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 408549454 TWCYFMIQLWUQIC-XNTDXEJSSA-N 396.468 3.152 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1O[C@H](C)CC 408918948 RAQSFPJUMXMCSF-CEXMDJMXSA-N 396.896 3.173 10 40 GGCB Nc1c(Cl)cc(NS(=O)(=O)c2cccc3nsnc23)cc1Cl 19078721 ZIMWLQZSXDKXHC-UHFFFAOYSA-N 375.262 3.381 10 40 GGCB CC(C)C(=O)NC[C@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1 257342151 ZNGUHTKPKLZJOF-UAPYVXQJSA-N 385.552 3.264 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccco3)cc2F)C[C@H](C)O1 58168525 KSTKFXLQTBTYED-GJZGRUSLSA-N 375.444 3.374 10 40 GGCB S=C(c1ccc(N2CCOCC2)s1)c1ccc(N2CCOCC2)s1 16430793 UHCNDKQXFIEKSI-UHFFFAOYSA-N 380.560 3.249 10 40 GGCB O=C1NC2(CCN(Cc3ccc(N4CCCC4)cc3)CC2)Oc2ccccc21 12144411 SSPIHXPSOCEXNH-UHFFFAOYSA-N 377.488 3.401 10 40 GGCB COc1cc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)ccc1O 20289334 TXHUETZQVPLIBY-XMHGGMMESA-N 395.484 3.193 10 40 GGCB COc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OCc1ccccc1 408761135 IEORJGURZNQYCF-WQRHYEAKSA-N 382.441 3.381 10 40 GGCB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 34926896 BVCKGFUROSTLMX-CQSZACIVSA-N 383.454 3.340 10 40 GGCB COc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)c(OC)c1 16215422 QWRGZMJNSGIZII-DHDCSXOGSA-N 397.343 3.119 10 40 GGCB COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc(OC)c1O 1192744 VGHHHABWGWVWBW-RIYZIHGNSA-N 382.372 3.225 10 40 GGCB CN1C(=O)C(=Cc2cccn2-c2ccc3ccccc3c2)C(=O)N(C)C1=S 4739687 UZZYQHVZMLOYFZ-UHFFFAOYSA-N 375.453 3.229 10 40 GGCB COc1cc(/C=C2\C(=O)N(C(=O)Cc3ccccc3)N=C2C)cc(OC)c1OC 5842861 OJNHERKBJWOGLJ-YVLHZVERSA-N 394.427 3.083 10 40 GGCB CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCN(C(=O)c2ccco2)CC1 2401318 JQESVGYZMKEQKP-GHVJWSGMSA-N 395.419 3.394 10 40 GGCB CCCCN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 101997213 XHTAAYHQCLFJHY-NJDAHSKKSA-N 393.487 3.399 10 40 GGCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1ccc(Cl)cc1Cl 101649367 ZTXQLKDRBWMCKQ-YRNVUSSQSA-N 388.218 3.150 10 40 GGCB COc1ccc(N(CCC(N)=O)Cc2ccc(F)cc2Br)cc1 14776491 LJEYSJGVPWODHA-UHFFFAOYSA-N 381.245 3.479 10 40 GGCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Cl 408534356 QOMFARWUCZXANM-JLHYYAGUSA-N 385.807 3.236 10 40 GGCB Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 48314819 DLFYMRZIBBFWMR-KZNAEPCWSA-N 384.476 3.275 10 40 GGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409104231 BYCHNJLXBAXYCF-FOWTUZBSSA-N 395.459 3.257 10 40 GGCB CN1CCCC[C@@](C)(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1=O 72372038 CCAMRHWQCPVBRM-DEOSSOPVSA-N 399.579 3.384 10 40 GGCB CN1CCN(c2ccc(CNC(=S)Nc3c(F)cccc3F)cc2)CC1 225776664 GYHFAORDPGUIHA-UHFFFAOYSA-N 376.476 3.203 10 40 GGCB COc1ccc(S(=O)(=O)Nc2ccc(N)cc2C(=O)c2ccccc2)cc1 5260066 WYEHBOXLKXTIFO-UHFFFAOYSA-N 382.441 3.309 10 40 GGCB Cn1c(/C=C2\C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O 4438506 WDPQTKPTOJLMIT-LCYFTJDESA-N 382.217 3.189 10 40 GGCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=CSC4=NC3=O)c2C)cc1 33363914 DOPINQSSHHLLDA-LXPIUTEMSA-N 379.445 3.352 10 40 GGCB CCOc1ccc(N2C[C@@](O)(c3ccc(OC)cc3)[N+]3=C2SCCC3)cc1 2965971 GKTUKNYCTCIESK-OAQYLSRUSA-N 385.509 3.265 10 40 GGCB Cn1cc(C(=O)N2CCCc3ccccc32)c2nn(-c3ccccc3)c(=O)c-2c1 9661337 NLOOGHOJFGEGQS-UHFFFAOYSA-N 384.439 3.269 10 40 GGCB O=C1c2ccccc2C(=O)[C@@H]2S[C@@H]3C(=O)c4ccccc4C(=O)[C@H]3S[C@@H]12 100253555 BQPAVUCZTHBGEU-XLLXOSNRSA-N 380.446 3.099 10 40 GGCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O 108987917 NETRUJQHCUYJDW-MHWRWJLKSA-N 392.452 3.334 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 59426721 QUUDPDDJBFPBQR-NTEUORMPSA-N 385.763 3.223 10 40 GGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 408915090 UPMYTLIJCOJZPY-LDADJPATSA-N 379.391 3.092 10 40 GGCB COc1ccc(N2CCN(c3nc(-c4ccccc4C)cc(=O)[nH]3)CC2)cc1 14608488 ZDQLYUWIGPIVLP-UHFFFAOYSA-N 376.460 3.081 10 40 GGCB Cc1nccn1CC1(O)CCN(Cc2ccc(N3CCCCC3)cc2F)CC1 19287981 FTFYTFIIGRERNA-UHFFFAOYSA-N 386.515 3.348 10 40 GGCB CCCN1C(=O)/C(=C\c2cc(OC)c(OC(C)=O)c(OC)c2)SC1=S 59418268 VVZBJTAHZAJDQJ-NTEUORMPSA-N 381.475 3.240 10 40 GGCB CN(C)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1Br 58866102 VUIHLTQYGDKYSK-UHFFFAOYSA-N 380.238 3.269 10 40 GGCB Cc1cc(=O)c(C(=O)N(C)[C@H](C)c2ccccc2O)nn1-c1ccccc1F 84072158 MMGLEMSXUPVEEU-CQSZACIVSA-N 381.407 3.219 10 40 GGCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cnn(Cc2ccccc2Cl)c1 32843218 ZYGLZTUQPHMZKE-UHFFFAOYSA-N 386.795 3.129 10 40 GGCB CN(C)c1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615126907 AWKAQPURWFYPHB-HSZRJFAPSA-N 397.494 3.290 10 40 GGCB NC(=O)COc1ccc(Cl)cc1/C=C1\SC(Nc2ccccc2)=NC1=O 6045595 XBMLGBRTBDBFHY-DHDCSXOGSA-N 387.848 3.287 10 40 GGCB CCN(CC)c1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 225255979 OKXZSEVZHPXESH-UHFFFAOYSA-N 389.521 3.143 10 40 GGCB CN1CCCc2cc(CNC(=O)N[C@@H]3COc4c(F)cc(F)cc4C3)ccc21 1676135730 QABXMUZFUMMLGK-KRWDZBQOSA-N 387.430 3.150 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 102001933 XUOTZVXRRHVPTC-GIJQJNRQSA-N 377.360 3.239 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(=O)c4c(C)cc(C)cc4o3)CC2)cc1 5351421 YWMNMGNRQXAFOL-UHFFFAOYSA-N 392.455 3.381 10 40 GGCB CCOc1cccc2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)nc12 6660445 KYUKDUSPLJQMLB-UVTDQMKNSA-N 388.470 3.309 10 40 GGCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(N(C)C)c([N+](=O)[O-])c1 59922962 XGCSGTSFAZFDBK-SXGWCWSVSA-N 394.387 3.165 10 40 GGCB CCOc1ccccc1N1C[C@@](O)(c2ccc(OC)cc2)[N+]2=C1SCCC2 27525072 BTZHVMUKZUKXEV-OAQYLSRUSA-N 385.509 3.265 10 40 GGCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2672829 SIYABHKJIWQNOM-QPEQYQDCSA-N 390.398 3.141 10 40 GGCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 59959212 HCAIYIMAZBWDAT-WQRHYEAKSA-N 394.383 3.481 10 40 GGCB COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 79076492 PLPGZORWLYNBQF-PXUDHTSWSA-N 389.452 3.055 10 40 GGCB CC(=O)c1cccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408535448 SSOLGRQLMCYXQR-WOJGMQOQSA-N 377.400 3.085 10 40 GGCB COc1ccc(N2CCN(CCCNc3ncnc4ccccc34)CC2)cc1 40004990 JVJFNTVQNZWRAL-UHFFFAOYSA-N 377.492 3.263 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4oc3=O)CC2)cc1 226041961 QGSXYQPXUQXOAX-UHFFFAOYSA-N 398.846 3.417 10 40 GGCB COc1ccc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)c(O)c1 72392840 DFIKXHLZWPCAPH-UHFFFAOYSA-N 392.459 3.338 10 40 GGCB CC[C@H](C)N1C(=O)/C(=C/N2CCN(Cc3ccccc3)CC2)SC1=S 30819341 CBWOXECVVCPDPC-YIQZXQSLSA-N 375.563 3.304 10 40 GGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)NC1=S 6630129 HEULBFAFFKPMBR-WOJGMQOQSA-N 381.501 3.358 10 40 GGCB O=C1/C(=C/c2ccc3ncccc3c2)SC(=S)N1CCCN1CCOCC1 102730633 NBGPPSDEZUVUMA-JXAWBTAJSA-N 399.541 3.158 10 40 GGCB Cc1ccc(-c2ccc(/C=C3\C(=O)N=C(O)N(C)C3=O)o2)c(Br)c1 9066720 AWXFTLHXJFXTAJ-XYOKQWHBSA-N 389.205 3.314 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1Cl 408985536 KXYWMGLSFUFFPO-JYRVWZFOSA-N 385.763 3.223 10 40 GGCB O=C(O)CCCN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC1=S 1891305 WJXGNLIZOPKOAN-ZHYMAVBSSA-N 378.431 3.217 10 40 GGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccn3)c2C)cc1 3507521 RFOOKLUIRITYDM-UHFFFAOYSA-N 392.411 3.315 10 40 GGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1Br 408586609 ODNQWHFSGVOMJW-KAMYIIQDSA-N 394.265 3.158 10 40 GGCB O[C@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCS2 15962104 FRPCKTMDUPTDTP-KRWDZBQOSA-N 376.299 3.230 10 40 GGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1O 1201615 BVCDXADJXAKQMM-NTUHNPAUSA-N 386.791 3.029 10 40 GGCB COc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)ccc1OCc1cccc(F)c1 8767308 ICSVYTZXAXAZMW-OQLLNIDSSA-N 384.363 3.345 10 40 GGCB Cc1cc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)n1-c1ccccc1 15811908 MNLGNYSYHBGMGM-OAHLLOKOSA-N 385.464 3.264 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc2c(c1)OCO2 35623431 MWRUEAVLLWLHOL-CPNJWEJPSA-N 393.468 3.208 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccccc1O 2237728 XGFNKRJMMCCHEV-ATVHPVEESA-N 393.395 3.056 10 40 GGCB Cn1c(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)nc2ccccc21 20227141 HHKAAZJDFISJLC-XNTDXEJSSA-N 378.413 3.354 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1OC 13564293 FPEZMCUEHIOQSA-MZLJFPOFSA-N 395.502 3.404 10 40 GGCB CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3nc4ccccc4[nH]3)C2=O)cc1 8973401 IZXBMLJGEGOZLQ-KAMYIIQDSA-N 376.372 3.468 10 40 GGCB Oc1ccccc1C1N2CC3(c4ccccc4)CN1CC(c1ccccc1)(C2)C3O 19332160 JJJXYKAKMZKDGL-UHFFFAOYSA-N 398.506 3.273 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)NCc3ccccc3)N3CCCC3)ccc21 35597208 FHASIBSSWGJSNZ-QFIPXVFZSA-N 378.520 3.315 10 40 GGCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 2234808 YTWCEHAHRLGGQB-GDNBJRDFSA-N 388.445 3.381 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1O 46405414 NWKGDJRKZPJSHM-UHFFFAOYSA-N 380.366 3.178 10 40 GGCB COc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 6747935 ZQACLLWEECUATH-HXUWFJFHSA-N 398.503 3.348 10 40 GGCB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 217033652 FOCVQEOMOSYZGT-IBGZPJMESA-N 381.520 3.139 10 40 GGCB Cc1cc(CNC(=O)NC[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)on1 64228430 ZCZNXXZGEJJIJP-ZDUSSCGKSA-N 398.385 3.207 10 40 GGCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)SC1=S 409130775 UUOLTGGLXKIQAF-BOPFTXTBSA-N 399.541 3.485 10 40 GGCB CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 32708022 LUKIYTJTJQOWFN-XNTDXEJSSA-N 393.486 3.350 10 40 GGCB CCN1c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2[C@H](C)CC1(C)C 113789002 TZAGQWZFVHKVTM-CYBMUJFWSA-N 385.533 3.397 10 40 GGCB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 4687739 IOEBNJYHYREWNF-LZYBPNLTSA-N 388.420 3.443 10 40 GGCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1Cl 409340266 TVXCVZNSXNQEGL-BJMVGYQFSA-N 392.285 3.424 10 40 GGCB Cc1ccccc1[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)[C@H](CO)[C@@H]1O 585294926 LQDXJNSVLBQAMM-SZVBFZGTSA-N 381.394 3.041 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 13675293 MTFMVWXXJOOIPA-UHFFFAOYSA-N 375.812 3.015 10 40 GGCB COc1cc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)ccc1O 5372046 HJKHSPWWVVVGMJ-ZEVOCZHWSA-N 381.475 3.101 10 40 GGCB COc1ccc(OCCCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 7504539 ZWWSWOZFPXQSII-UHFFFAOYSA-N 384.476 3.212 10 40 GGCB COC(=O)C1=CN(c2cccc(Br)c2)c2ccccc2S1(=O)=O 64979287 DJSXIWSMJQWWAB-UHFFFAOYSA-N 394.246 3.389 10 40 GGCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)o3)C(=O)NC2=S)cc1 4739003 XOPYHFMYLWWJNA-VBKFSLOCSA-N 381.457 3.020 10 40 GGCB COCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 4736945 DTXIAPCYVQZCBI-SILNSSARSA-N 379.460 3.346 10 40 GGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 5371701 MBWBQONLJCZJOH-YFBAIUBQSA-N 379.459 3.085 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC2(CCCCC2)C1=O 23652579 PVRRSAVEVMAGTE-UHFFFAOYSA-N 384.524 3.321 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S)c1cccnc1 13692762 SHUDYLUDGDUQNH-YBEGLDIGSA-N 392.465 3.176 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 4513214 PWTBGTQSXRGBJX-ACCUITESSA-N 387.436 3.096 10 40 GGCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1O 409082434 SIMURZNVBRSZDL-QVASGMJFSA-N 385.894 3.434 10 40 GGCB O=C1/C(=C/NN2CCCCC2)C(O)=NC(=S)N1c1cccc(C(F)(F)F)c1 1259964 YTPNTNLVKKZNQN-JLHYYAGUSA-N 398.410 3.168 10 40 GGCB COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)cc(O)c34)CC2)cc1 95481516 DQXBANHXTGPONS-UHFFFAOYSA-N 380.444 3.138 10 40 GGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Br)s1 408913568 LWQHCPHBEVWIHN-YRNVUSSQSA-N 395.209 3.316 10 40 GGCB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc12 408870490 FJSLMGIPWVUJPY-UHFFFAOYSA-N 388.448 3.333 10 40 GGCB COc1ccc(N2CCN(CCCNC(=O)NCc3ccc(C)cc3)CC2)cc1 40058081 GOWCPZMCMUSDQA-UHFFFAOYSA-N 396.535 3.015 10 40 GGCB O=C(O)CCN1C(=O)/C(=C/c2cc(Br)cs2)SC1=S 40161152 UAOLDSSTLMQDCT-YWEYNIOJSA-N 378.294 3.187 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCS(=O)(=O)C1CCCC1 48146202 CWNFLPZGTKIPFW-UHFFFAOYSA-N 392.565 3.383 10 40 GGCB Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2362961 NMQQOGCPJOQNKI-GDNBJRDFSA-N 394.481 3.418 10 40 GGCB Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 48314815 DLFYMRZIBBFWMR-FGTMMUONSA-N 384.476 3.275 10 40 GGCB COCC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)nn(-c2ccccc2)c1O 5576012 BLBJXRFPLLEOLV-CPNJWEJPSA-N 388.427 3.319 10 40 GGCB CNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2c1C(=O)CC(C)(C)C2 8993635 HDZGLBCPYFMLKS-UHFFFAOYSA-N 395.507 3.009 10 40 GGCB COc1ccc(C2(NCc3ccc(OC)c(CN4CCOCC4)c3)CC2)cc1 12238639 RLVFRMUHEHAJDB-UHFFFAOYSA-N 382.504 3.315 10 40 GGCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1 16406175 STYGGJQRQYAPAU-UHFFFAOYSA-N 394.427 3.098 10 40 GGCB O=C1N=C(O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(=O)N1c1ccccc1 8995914 NDDMIHNQRKCUAR-UWXVCKHVSA-N 391.431 3.120 10 40 GGCB Cc1cccc(COc2ccccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)c1 59140023 JCDINQVFDSOUFW-UHFFFAOYSA-N 380.469 3.173 10 40 GGCB Cc1cc(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c(C)n1-c1ccccc1F 3303590 UIFVDCHRXIUYTE-KRWDZBQOSA-N 385.439 3.382 10 40 GGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc2ncccc2c1 408967800 UZDVALNVIGNHSN-UHFFFAOYSA-N 388.427 3.076 10 40 GGCB O=C(NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1cccs1 3766128 IKODGTUKNMFDIT-XYOKQWHBSA-N 391.455 3.203 10 40 GGCB CCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1OC 16819006 IMMXXAJMDOWWQQ-ADVUTCEVSA-N 381.475 3.158 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COCC[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 252505322 KTLXAERMSRLXKX-XWUOBKMESA-N 388.552 3.021 10 40 GGCB COc1ccc(N2CCN(Cn3nc(-c4cccs4)[nH]c3=S)CC2)cc1 6476261 KSRFIMWLKVKEFA-UHFFFAOYSA-N 387.534 3.457 10 40 GGCB COc1ccc(N(C)CCNC(=S)Nc2ccc(OC)c(OC)c2)cc1 225797785 NSIZWVLXCOOGHT-UHFFFAOYSA-N 375.494 3.135 10 40 GGCB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(N(CC)CC)cc1 6517569 LRNNRBNWVDVMNU-SFHVURJKSA-N 387.505 3.356 10 40 GGCB O=C1/C(=C\Nc2ccc(Cn3cncn3)cc2)SC(=S)N1C1CCCC1 101467946 COOYFXOAPZIBPS-CXUHLZMHSA-N 385.518 3.383 10 40 GGCB COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1[N+](=O)[O-] 59135035 CWIAZQAEDHTWDE-MDWZMJQESA-N 385.307 3.249 10 40 GGCB O=S(=O)(Nc1ccc(Br)c(Cl)c1)c1cccc2nonc12 13948503 FLTKKOCLAHWNKL-UHFFFAOYSA-N 388.630 3.440 10 40 GGCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3ccccc3Cl)c2C(N)=O)C1 7409971 MAPUGXDKZGUEDT-VIFPVBQESA-N 384.910 3.426 10 40 GGCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409205916 QXSWKKIOYPSULW-WJDWOHSUSA-N 395.371 3.259 10 40 GGCB CCN1CCN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)CC1 20507108 SHITXLDGTMSDJR-SDNWHVSQSA-N 380.311 3.057 10 40 GGCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4O)S3)CC2)cc1 9189190 DRCJCOCCDSURHS-RGEXLXHISA-N 395.484 3.193 10 40 GGCB CCCN1C(=O)/C(=C\c2cc(Br)ccc2O)C(C(=O)OC)=C1C 408582520 CVTUMFSHLBDYBZ-LCYFTJDESA-N 380.238 3.237 10 40 GGCB CCc1nnc(S/C(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)O)o1 7365642 DIEZKFABJQWNGX-GXDHUFHOSA-N 390.421 3.358 10 40 GGCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OCC)cc3)S2)C1 6388020 IIOHJJSECNRROH-ZKMNFCBKSA-N 388.489 3.331 10 40 GGCB Cc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 6510320 JRZICZBSRSBOQN-UHFFFAOYSA-N 395.465 3.353 10 40 GGCB COc1cc2c(cc1OC)CN(Cc1c(O)ccc3c(C)cc(=O)oc13)CC2 1139129236 RNNKVGVMBIMLSW-UHFFFAOYSA-N 381.428 3.383 10 40 GGCB CN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)SC1=S 6169377 KVYYBHJHYYKSMB-PTNGSMBKSA-N 391.495 3.285 10 40 GGCB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)ccc21 6320594 BMACHYCDQGATCD-CXUHLZMHSA-N 399.472 3.422 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 1907763 REUHKSYQHSLMLQ-JLHYYAGUSA-N 380.447 3.441 10 40 GGCB COc1ccc(N2CCN(CCCNC(=O)c3ccccc3Cl)CC2)cc1 11853435 LGMPXPKYAHDNIZ-UHFFFAOYSA-N 387.911 3.291 10 40 GGCB CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)cc1 9189815 UZMNTVYFMBLCCW-NBVRZTHBSA-N 376.485 3.212 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 10113302 TTWZYWSSYDERFP-UHFFFAOYSA-N 375.812 3.015 10 40 GGCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 409228561 ZFWWVXBOKJQPBY-LICLKQGHSA-N 381.432 3.102 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S)c1ccncc1 13721265 PFWYILKDNOAKJP-WJDWOHSUSA-N 392.465 3.176 10 40 GGCB COc1ccc(N2CCN(CCCNC(=S)Nc3ccccc3)CC2)cc1 4678262 WICFCWBMGDUWGF-UHFFFAOYSA-N 384.549 3.194 10 40 GGCB Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccc2c(c1)OCO2 7128638 YOBADJZQNLSJSV-UHFFFAOYSA-N 381.457 3.224 10 40 GGCB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1 3097640 ZOQLRGNMYTUQAJ-UHFFFAOYSA-N 391.210 3.322 10 40 GGCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)NC1=S 409077614 GCXZDFXRXZEGJT-WQLSENKSSA-N 399.310 3.324 10 40 GGCB CCc1ccc(-n2cc(C(=O)NCc3ccc(N4CCCC4)cc3)nn2)cc1 90610322 LHDRFPKCRCRFJM-UHFFFAOYSA-N 375.476 3.360 10 40 GGCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(N(C)C)o2)C(=O)NC1=S 15013513 XLSSIHUHLARIIR-XFXZXTDPSA-N 389.864 3.139 10 40 GGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O)N1CCCC1 205858077 JYOFACWTCBOBEW-NBVRZTHBSA-N 399.516 3.336 10 40 GGCB Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 2298392 WBNZUDUNIGWQJU-YFHOEESVSA-N 396.544 3.138 10 40 GGCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(Br)o2)C(=O)NC1=S 409230260 CVKCTQHEZPEIPF-DHZHZOJOSA-N 391.246 3.182 10 40 GGCB CCc1ccc(N2C[C@@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2SCCC3)cc1 2965919 ZGWDBILLCBZSBZ-JOCHJYFZSA-N 399.536 3.437 10 40 GGCB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O 13655583 CGWDLTNWGQNLSZ-UHFFFAOYSA-N 379.840 3.162 10 40 GGCB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 5635795 SHLGIFWIGQHMRY-UHFFFAOYSA-N 392.411 3.183 10 40 GGCB CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 5098034 LSMHWUGTVCUVHH-FQEVSTJZSA-N 382.464 3.228 10 40 GGCB Cc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C 23744290 FUNXJTMZXWXXRY-NRFANRHFSA-N 381.520 3.474 10 40 GGCB O=S(=O)(c1cccs1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 25719057 GZHGVLPAASHJNN-UHFFFAOYSA-N 388.514 3.113 10 40 GGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc[nH]c3=O)c2C)cc1C 8687958 YHVNCMXSOYCCJG-UHFFFAOYSA-N 378.428 3.439 10 40 GGCB aggregator CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O 4704572 PFTXCBOXNRUGER-NTEUORMPSA-N 386.791 3.111 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)c1 409133287 RXTCIDJBCQUNGU-GZTJUZNOSA-N 380.469 3.452 10 40 GGCB COc1ccc(CNC(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)cc1 2700659 XQTWWQCHTYENDU-UHFFFAOYSA-N 375.380 3.302 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)Cc3ccc(F)cc3)N3CCCC3)ccc21 8963283 DNTAZZXOZYRWIX-JOCHJYFZSA-N 381.495 3.314 10 40 GGCB Cn1c(C[C@H]2CN(Cc3ccccc3O)CC[C@H]2CC(=O)O)nc2ccccc21 514288535 CCIDCEMTIQATBH-WMZOPIPTSA-N 393.487 3.434 10 40 GGCB biogenic,in-vitro COc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3C)CC2)cc1 800182 REWVAKKNAZXLKX-UHFFFAOYSA-N 380.897 3.168 10 40 GGCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)n3)c2C)cc1F 6510319 WCTFTNZSDINLGN-UHFFFAOYSA-N 385.468 3.471 10 40 GGCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NCc3ccc(F)cc3)sc2n1 10644959 SHAIIKZYGKXGBB-UHFFFAOYSA-N 387.436 3.108 10 40 GGCB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1-c1ccc2c(c1)OCO2 8344063 GUTMMLLAMIIZRZ-UHFFFAOYSA-N 397.460 3.119 10 40 GGCB O=C(Nc1cccc(F)c1)Nc1nc2ccccc2n1CCN1CCOCC1 28221462 WONXCIRHBYBMSE-UHFFFAOYSA-N 383.427 3.152 10 40 GGCB O=C(O)c1ccccc1N/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 5740936 MJKMSOWAQWSIOA-LCYFTJDESA-N 385.763 3.457 10 40 GGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)cc1 33771885 SWZQGRPZJUZTFH-MHWRWJLKSA-N 395.465 3.113 10 40 GGCB CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1O)C[C@]2(O)C(=O)O 72333459 BTWFVRWNVOPJJG-KKSFZXQISA-N 397.406 3.244 10 40 GGCB C[C@@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccc(N2CCN(C)CC2)cc1 55711218 CKOKLQIFWKTPTQ-OAHLLOKOSA-N 397.910 3.231 10 40 GGCB CN(C)c1ccc(N/C=C2\C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)cc1 13298038 PAYNRMATCDSZPY-NBVRZTHBSA-N 398.532 3.182 10 40 GGCB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Cl 156790671 VQESPAGCNMMBKD-UHFFFAOYSA-N 396.896 3.013 10 40 GGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 4514350 UFDHMUBFIDMWSN-SSZFMOIBSA-N 395.459 3.257 10 40 GGCB Nc1c(NCCO)cc(Nc2ccc(F)cc2)c2c1C(=O)c1ccccc1C2=O 5452267 RRZUHBNNLPTLJN-UHFFFAOYSA-N 391.402 3.331 10 40 GGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 409250720 NRQZZXQLVGZXFR-LDADJPATSA-N 381.432 3.183 10 40 GGCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCC[C@@H](c2cnccn2)C1 257233889 GREQQTWWJLEJEF-QGZVFWFLSA-N 380.492 3.495 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccccc1 1153292 OSDYHJNNFQCTMZ-AQTBWJFISA-N 375.359 3.283 10 40 GGCB CCCc1ccc(C[C@@]23O[C@]2(C(=O)OCC)C(=O)c2ccccc2C3=O)cc1 5313648 PJSDXXBKHGOAJG-GOTSBHOMSA-N 378.424 3.332 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(OC)c3)C2=O)cc1 408867077 JEWQBENBMDRPGP-CXUHLZMHSA-N 386.791 3.024 10 40 GGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 35145950 JQFUYYYUROIGPZ-XNTDXEJSSA-N 388.445 3.381 10 40 GGCB CSc1ccc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 41084834 POPIURLAVAESCH-JCOXHHPGSA-N 385.518 3.471 10 40 GGCB COc1cccc2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)nc12 6661009 KBLWZOVYGKTUSO-UVTDQMKNSA-N 388.470 3.309 10 40 GGCB CC(=O)N[C@H]1[C@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O[C@H]1OCc1ccccc1 257347623 NHAQKEYPUCFXEJ-ARILJUKYSA-N 386.376 3.101 10 40 GGCB Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 16838269 FFXKQKPLYHMKEO-QHCPKHFHSA-N 393.531 3.181 10 40 GGCB COC(=O)CCCNC1=C2Sc3ncnc(OC)c3N=C2CC(C)(C)C1 20676141 WAVWXSVIBMUGPJ-UHFFFAOYSA-N 376.482 3.238 10 40 GGCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 59489883 GDGITIRDRWYKLU-UHFFFAOYSA-N 386.404 3.339 10 40 GGCB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(N2CCOCC2)cc1 409372668 ZUWHKSFHQQJWDD-GOSISDBHSA-N 385.489 3.291 10 40 GGCB CN1C(=O)C(=Cc2ccccc2OCc2cccc(Cl)c2)C(=O)N(C)C1=O 408812217 CTCNXVNDLAQUJJ-UHFFFAOYSA-N 384.819 3.353 10 40 GGCB COc1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1OC 5371408 KZKZIURZZIQDFF-ZENNRRHLSA-N 395.502 3.404 10 40 GGCB C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 107642125 ZXXULFKILSCWGL-GDNBJRDFSA-N 399.790 3.274 10 40 GGCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3O)C2=O)cc1 408898762 MLVSDGSNJAOVFC-LGMDPLHJSA-N 380.400 3.238 10 40 GGCB Nc1c(NCCO)cc(Nc2cccc(F)c2)c2c1C(=O)c1ccccc1C2=O 5483572 XSNKXAYUQMGKAX-UHFFFAOYSA-N 391.402 3.331 10 40 GGCB O=C(O)CN1C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)SC1=S 408941778 KHPPUJRQCJZGRD-MDWZMJQESA-N 378.862 3.417 10 40 GGCB O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1 408887384 QKGFNNZXFZCOIY-UHFFFAOYSA-N 391.210 3.322 10 40 GGCB COc1ccc(OC)c(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)c1 5675556 NBFOCABUCFMTFW-MDWZMJQESA-N 393.226 3.472 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2C)cc1 102373784 UFNRULWFTDSZAI-OALUTQOASA-N 392.455 3.237 10 40 GGCB COc1ccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)c(O)c1 67898166 OAOZLVSPZOLZJH-UHFFFAOYSA-N 396.443 3.069 10 40 GGCB biogenic,in-vitro CN(C)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1 5159394 UDPGQODNKBHDGF-LKZNJTCTSA-N 392.459 3.074 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 409072306 JPYCZJGZOGDBCU-PILJQMSFSA-N 392.452 3.414 10 40 GGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccc(OC)cc2)C1=O 409242770 YFRZBNSMQHTMPT-WMAWMELHSA-N 392.411 3.317 10 40 GGCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 96193399 RDDLGZWNFMFAPH-UYRXBGFRSA-N 397.500 3.438 10 40 GGCB CN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)SC1=S 6178529 KVYYBHJHYYKSMB-RVDMUPIBSA-N 391.495 3.285 10 40 GGCB Cc1ccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(O)c1 2037978068 VHJFTLIAYYYMBB-QFIPXVFZSA-N 384.451 3.238 10 40 GGCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C(=O)NC1=S 5219514 YJOJILZALHVPAN-LSVCFVEQSA-N 385.533 3.492 10 40 GGCB COc1ccccc1C(=O)NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S 12492103 OTIMUWLKVAQKPU-SQXCIYSKSA-N 386.454 3.391 10 40 GGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)N1CCCCC1 106757855 CVXHATINVGBYJN-JXAWBTAJSA-N 399.516 3.336 10 40 GGCB O=C(NN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S)c1ccncc1 13689439 OPDAWAUVJXUINV-PTNGSMBKSA-N 392.465 3.176 10 40 GGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 4999672 FKGYVGDRTRZRSH-MOSHPQCFSA-N 397.406 3.486 10 40 GGCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)N3CCCCC3)C2=O)c1 15989643 AHRUNZBAVFBQLG-SSZFMOIBSA-N 390.530 3.299 10 40 GGCB Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)no1 2578325 ZWRDETCQIPUVJY-FLIBITNWSA-N 379.488 3.275 10 40 GGCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408997781 SVMBGDHGTQKOFW-UHFFFAOYSA-N 381.501 3.306 10 40 GGCB CCN(CC)c1ccc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)cc1 1297737 KPEZRZAJJZMTAR-NTCAYCPXSA-N 378.519 3.297 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 14133202 CDPKJHGJPFVHSX-FOWTUZBSSA-N 393.418 3.401 10 40 GGCB CCc1nn2c(=O)cc(CSc3ncc(-c4ccccc4)n3C)nc2s1 5117952 BNLUTISCNIQGBV-UHFFFAOYSA-N 383.502 3.406 10 40 GGCB CN(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)cc1 32593718 LHMRROJDTYKDSU-FQEVSTJZSA-N 378.476 3.440 10 40 GGCB COc1ccc(N2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 35388270 BNSCOMBYGCWAQL-JOCHJYFZSA-N 379.504 3.181 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COc3ccccc3C(C)C)CC2)cc1 23224648 BHBAZLJMXVWKTN-FQEVSTJZSA-N 384.520 3.381 10 40 GGCB COc1cc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc(OC)c1OC 13810615 JWEYBAWJTBBPCX-LFIBNONCSA-N 376.478 3.415 10 40 GGCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 10548212 ZXSGXPKEHRFAQV-UHFFFAOYSA-N 397.500 3.396 10 40 GGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 408982854 FOMPUJKFVRCKHC-GDNBJRDFSA-N 399.790 3.477 10 40 GGCB C[C@H](NC(=O)Cc1cccc2cccnc12)c1ccc(N2CCOCC2)cc1 19716240 RCCCVGTYQNVBTO-KRWDZBQOSA-N 375.472 3.491 10 40 GGCB COc1ccc(N2CCN(CCCNc3ncnc4ccsc34)CC2)cc1 28620069 FHKIHIWPEAAEPQ-UHFFFAOYSA-N 383.521 3.324 10 40 GGCB CCCN1C(=O)/C(=C\Nc2ccc(Nc3ccccc3)cc2)C(=O)NC1=S 6907443 RBWMJUJDGAEHAT-LGMDPLHJSA-N 380.473 3.379 10 40 GGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1cncc(Br)c1 54035432 OZGBHTSNMDHOSS-UHFFFAOYSA-N 392.322 3.327 10 40 GGCB O=C1/C(=C\c2ccc(N3CCOCC3)o2)C(C(F)(F)F)=NN1c1ccccc1 408973812 VIDQTJXKMPDVNF-QINSGFPZSA-N 391.349 3.465 10 40 GGCB O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1cccc(O)c1 19707510 IJBPOPLUVLYRQD-MAHQCVNESA-N 382.466 3.495 10 40 GGCB Cc1cc(CN(C)CCNC(=O)N(C)C)c(C)n1-c1ccc(F)c(F)c1F 95997200 SJUHESKTUJQUBS-UHFFFAOYSA-N 382.430 3.214 10 40 GGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1OC 408582137 BOXWXENWJRHMGE-ATVHPVEESA-N 394.383 3.481 10 40 GGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 409399785 MIAXJMKWGVGNRE-NVNXTCNLSA-N 382.217 3.392 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 5850984 FAOPHDVDOVNKDM-LICLKQGHSA-N 397.412 3.280 10 40 GGCB COc1ccccc1C(=O)NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S 2451007 OTIMUWLKVAQKPU-IJPYFETJSA-N 386.454 3.391 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 22298822 HIKKSQKDDUVSIB-JOCHJYFZSA-N 392.499 3.410 10 40 GGCB Cc1nc2cc(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)ccc2[nH]1 13564315 ASZKAHHFKXFVGD-ZROIWOOFSA-N 395.806 3.104 10 40 GGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 408875511 GESXBHCFKSKLQB-UHFFFAOYSA-N 398.846 3.306 10 40 GGCB O=C(NC1CCCCC1)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199426121 ATAWWAOAFZZEIM-FQEVSTJZSA-N 380.488 3.474 10 40 GGCB COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(NC(C)=O)C3=O)nc12 256055410 GCRKSSVIHAUQQD-QPEQYQDCSA-N 393.877 3.149 10 40 GGCB Cc1nc(=O)n(CC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1C 19716192 RZOUBSGDGXRPOF-KRWDZBQOSA-N 382.508 3.036 10 40 GGCB CN1C(=O)[C@]2(NN=C(Cc3ccccc3)S2)c2cc(Br)ccc21 834593 JHZBXRSXWRTWET-KRWDZBQOSA-N 388.290 3.471 10 40 GGCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NC[C@@H]3CCCO3)C2=O)cc1 112122946 FBIVSLCMKKMBRI-CVVHJZTLSA-N 391.471 3.489 10 40 GGCB CCN(C)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1 58103857 BLMCXLYDIJHJLP-UHFFFAOYSA-N 389.521 3.424 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 28340940 WMXWVURABWZNAT-UHFFFAOYSA-N 375.513 3.358 10 40 GGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 408959557 AYMCQIRIVHVQPG-SAPNQHFASA-N 393.418 3.482 10 40 GGCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)NC1=S 4738857 BMUQAKAXUVONMI-JXAWBTAJSA-N 391.496 3.427 10 40 GGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 408959722 DRRURIVHVMLPMA-DTQAZKPQSA-N 379.391 3.092 10 40 GGCB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 4147414 BPCBUAKAPUNREA-UHFFFAOYSA-N 393.420 3.271 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(O)cc1 408533620 ZMPNTXMDSMAGHF-PDGQHHTCSA-N 393.395 3.056 10 40 GGCB COC(=O)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 408982652 DSGMITYOEUNMRP-DHDCSXOGSA-N 398.802 3.101 10 40 GGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)o1 409216478 LOSIFWDBCWQXKY-YRNVUSSQSA-N 395.596 3.362 10 40 GGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1 6548251 ZKOSHTFGQWNEPP-LFIBNONCSA-N 397.406 3.071 10 40 GGCB Cc1c(Br)c(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1ccccc1 59104323 IMALZHFWJGVJFC-UHFFFAOYSA-N 388.221 3.446 10 40 GGCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1/SC(=S)N(C)C1=O 13723885 CACMDKKJASAVNO-MDWZMJQESA-N 376.459 3.184 10 40 GGCB CC[C@@H](C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 7650773 LUIOPVDGWLNXFO-OAQYLSRUSA-N 396.487 3.081 10 40 GGCB CCOc1cccc(/C=C2\C(=O)N(Cc3ccco3)C(C)=C2C(=O)OC)c1O 6964922 RDXZJLVXZADOCO-WJDWOHSUSA-N 383.400 3.257 10 40 GGCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)c1 1816410 QRPFLBNGSUZPSD-MQJVFOOVSA-N 381.475 3.014 10 40 GGCB CN(C)c1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 72393072 UOOMUSIXHBHMQP-IBGZPJMESA-N 389.503 3.278 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)COc3ccccc3C(N)=O)c2C)cc1 3357986 UHUQJKNSSZKJSU-UHFFFAOYSA-N 378.428 3.463 10 40 GGCB CCc1cc2c(C)cc(=O)oc2c(CN2CCC(C(=O)N3CCCC3)CC2)c1O 12931867 GMEPMSLPLABKDI-UHFFFAOYSA-N 398.503 3.204 10 40 GGCB Cn1ccnc1[C@H](O)C1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506408734 ZSDXDSPJPSLUAX-HSZRJFAPSA-N 394.563 3.323 10 40 GGCB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 223294046 OPPVDUIWZYXLJS-FMIVXFBMSA-N 399.497 3.370 10 40 GGCB C[C@H](NC(=O)c1cc2c(nc1N)CCN(C)C2)c1ccc(N2CCCCC2)cc1 19700652 ADSLVLABDNBTBL-INIZCTEOSA-N 393.535 3.133 10 40 GGCB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(N2CCCCC2)cc1 28924245 LPBDLTKQVVLHAJ-QFIPXVFZSA-N 392.503 3.014 10 40 GGCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NCCC1=CCCCC1 101043389 SMLIZQAJUJDKSP-OBGWFSINSA-N 387.549 3.484 10 40 GGCB CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12554924 ASAWDXSZIHTHPW-UHFFFAOYSA-N 388.533 3.467 10 40 GGCB O=C1/C(=C\c2ccc3ncccc3c2)SC(=S)N1CCCN1CCOCC1 13686385 NBGPPSDEZUVUMA-NBVRZTHBSA-N 399.541 3.158 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 6250490 XRPSRZRVUHRTKN-UTUOFQBUSA-N 379.478 3.489 10 40 GGCB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 8159929 OAIDBRXQKLBWFI-KRWDZBQOSA-N 397.504 3.235 10 40 GGCB Cc1ccc(S(=O)(=O)NC(=O)c2c(C)cc3n2CCn2c(C)ccc2-3)cc1 89639044 IAOPBUOUPDGHSS-UHFFFAOYSA-N 383.473 3.014 10 40 GGCB COc1ccc(N2CCN(CCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 59938894 JPWMUZSDMPUGAK-UHFFFAOYSA-N 394.471 3.311 10 40 GGCB CC1(C)C[C@@]2(C[C@H](c3ccccc3F)c3ccc(O)c(O)c3O2)NC(=S)N1 13571069 LEGCCBSEPHWKRY-XCLFUZPHSA-N 388.464 3.494 10 40 GGCB O=C1/C(=C/c2ccnc3ccccc23)SC(=S)N1CCCN1CCOCC1 13732309 WECLAQITAVHBSG-JXAWBTAJSA-N 399.541 3.158 10 40 GGCB Cc1c(CC(=O)N[C@@H]2CCCc3ccccc32)c(=O)oc2c(O)c(O)ccc12 6660349 MEZYUQNIJOEPSS-QGZVFWFLSA-N 379.412 3.249 10 40 GGCB CC(C)CNC(=O)NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(O)cc1 6762260 BAMNRXKOVGYZIX-WCWDXBQESA-N 398.419 3.446 10 40 GGCB CCN(CC)c1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c(OC)c1 409074423 ZJSYHLOIJMRVLD-SEJMYLSOSA-N 392.477 3.139 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccccc1 2229548 LTHGIGVFSPZYCZ-UYRXBGFRSA-N 389.386 3.342 10 40 GGCB CC(/C=C1\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O)=C\c1ccccc1 13786887 LWJQYUFJHQPXNZ-YEKWATDZSA-N 391.470 3.152 10 40 GGCB COc1ccc(N2CCCN(C[C@H](O)COc3cc(C)cc(C)c3)CC2)cc1 84085951 NOZKQOIPJFVTCX-NRFANRHFSA-N 384.520 3.264 10 40 GGCB COc1ccccc1N1CCN(Cc2c(O)ccc3c(C)c(C)c(=O)oc23)CC1 95473240 RKSMTWCXERRZGY-UHFFFAOYSA-N 394.471 3.446 10 40 GGCB Cc1cc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)no1 6130688 FAXSHIODUDDKDE-UKTHLTGXSA-N 391.449 3.352 10 40 GGCB O=Cc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 5375091 BMCSHXUKHPYFLY-CHHVJCJISA-N 385.422 3.309 10 40 GGCB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 12089306 JVFUAEVACDRRMD-FQEVSTJZSA-N 393.487 3.268 10 40 GGCB O=[N+]([O-])c1cccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)c1 2966019 PVDMCNYWLSARFA-SFHVURJKSA-N 390.872 3.419 10 40 GGCB Cc1cc2oc(=O)cc(C)c2c(O)c1C1=NN[C@@H](c2ccc3c(c2)OCO3)C1 12390045 XKNUSXPXDSTJSA-CYBMUJFWSA-N 378.384 3.283 10 40 GGCB COc1ccc(CCN2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 2377737 PYESAXGAGLPNCO-MSUUIHNZSA-N 396.493 3.461 10 40 GGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccsc1 5768675 GKWSBQQUIXFONZ-GHXNOFRVSA-N 377.219 3.177 10 40 GGCB COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OC)ccc34)CC2)cc1 54105932 HOPCHPBPFGYBNE-UHFFFAOYSA-N 380.444 3.132 10 40 GGCB biogenic Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 4662590 JGNIDYFCJBGYPR-GDNBJRDFSA-N 385.217 3.424 10 40 GGCB Cc1cc(=O)n2nc(COC(=O)c3cc(C)n(-c4ccccc4)c3C)sc2n1 7114355 SCMYYGZPYBPUEP-UHFFFAOYSA-N 394.456 3.224 10 40 GGCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2cccs2)C1=O 409342239 CWVPKHLVGUWOOE-LCYFTJDESA-N 376.484 3.303 10 40 GGCB O=C1NC(=S)S/C1=C\c1ccc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1 41074258 PZGISNKLBCEAJY-DXNYSGJVSA-N 376.371 3.072 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccccc1 6307910 FWZVFYMRBXRISP-AQTBWJFISA-N 377.396 3.350 10 40 GGCB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC(=O)NC1CC1 11647893 FLYFDXCACPXNSL-UHFFFAOYSA-N 396.472 3.272 10 40 GGCB Cc1nnc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2[N+](=O)[O-])s1 408989421 HRJJKPBRHZJRRW-YHYXMXQVSA-N 396.500 3.395 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC(C)C)C2=O)cc1 408805103 DSPCHTZTPNUJSY-SFQUDFHCSA-N 380.400 3.149 10 40 GGCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c1C 409333113 IUQBGRLYWPUGMW-RQZCQDPDSA-N 398.440 3.390 10 40 GGCB Cc1cc(=O)c(C(=O)N(C)[C@@H](C)c2ccccc2O)nn1-c1ccccc1F 84072154 MMGLEMSXUPVEEU-AWEZNQCLSA-N 381.407 3.219 10 40 GGCB CN1C(=O)C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N(C)C1=O 1063306 LQRSKHDKWPRYCL-UHFFFAOYSA-N 391.402 3.263 10 40 GGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 2337465 MAOKMVOBYWHCBK-GDNBJRDFSA-N 394.481 3.418 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1O 1199499 NLXFIDGXGIAZBS-LFIBNONCSA-N 380.400 3.191 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H]3COc4ccccc4O3)ccc21 4088473 YRIHWDCHOWDELZ-HXUWFJFHSA-N 385.375 3.241 10 40 GGCB CCOC(=O)C1=C(CSc2nccs2)NC(=O)N[C@@H]1c1ccccc1 52913895 FHIQIEABTXIENT-CQSZACIVSA-N 375.475 3.107 10 40 GGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408768042 BJXXCYHUDBCZDY-SFQUDFHCSA-N 394.427 3.459 10 40 GGCB Cc1c(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)oc2c(O)c(O)ccc12 4090141 JMOUQWBSIZPIJO-ZDUSSCGKSA-N 381.428 3.193 10 40 GGCB biogenic CCN1C(=O)/C(=C/c2c(NC(C)C)nc3c(C)cccn3c2=O)SC1=S 6891422 HAGLHVKVWRFYOI-LCYFTJDESA-N 388.518 3.044 10 40 GGCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 409202343 RUCOUSYYQHSQBD-RIYZIHGNSA-N 385.763 3.223 10 40 GGCB Cc1cccc(C(=O)NC2(N3CCC(C)CC3)C(=O)c3ccccc3C2=O)c1 226297578 UBDNPBOXPLDHBV-UHFFFAOYSA-N 376.456 3.232 10 40 GGCB Cc1cc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc([N+](=O)[O-])c1C 5724875 NTMQESWJRSBESN-UHFFFAOYSA-N 399.428 3.070 10 40 GGCB CCc1noc(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 55530647 JAUMAEKUKFUKJV-STQMWFEESA-N 375.444 3.228 10 40 GGCB CCc1ccc([C@@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCS3)cc1 13810142 KNWPTWBRVNGJTI-QFIPXVFZSA-N 399.536 3.437 10 40 GGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1 4999642 NRSDBDAKDXBKEL-QNGOZBTKSA-N 393.443 3.025 10 40 GGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccccc1 17077192 PARIEYGCIJHOFJ-PGMHBOJBSA-N 377.444 3.059 10 40 GGCB Cc1ccc(NC(=O)c2cnn3c(O)cc(CCc4c(C)noc4C)nc23)cc1 19210701 OMOQFIXVHYYCJV-UHFFFAOYSA-N 391.431 3.386 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccco2)SC1=S)c1ccc(OC(F)F)cc1 1255243 PVSUMWFMBNEGRW-XYOKQWHBSA-N 396.396 3.427 10 40 GGCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccco1 2932196 ZZKAHJONVPFNPX-ZROIWOOFSA-N 375.427 3.338 10 40 GGCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1C 408591633 JTEPGJCYGKPWSO-OVCLIPMQSA-N 387.823 3.033 10 40 GGCB CCCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 408986725 DELZFTVYLAEPRH-QGOAFFKASA-N 396.468 3.315 10 40 GGCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408817810 WUJFEBNEHIHXKJ-SFQUDFHCSA-N 394.427 3.459 10 40 GGCB COc1ccc(N2CCN(CCNC(=O)c3ccc(OC(C)C)cc3)CC2)cc1 56997164 MNICCNFIKCFATR-UHFFFAOYSA-N 397.519 3.034 10 40 GGCB CN(C)CCCN[C@@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 101090856 KJRNIEOGPMQUII-LYEHZDMLSA-N 397.479 3.425 10 40 GGCB O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccc(O)cc1 16922192 SCRIJUQETLNCNL-DHDCSXOGSA-N 388.445 3.371 10 40 GGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(=O)c2ccccc2o1 54035569 DUXBNWUCJZOPCR-UHFFFAOYSA-N 380.469 3.276 10 40 GGCB Cc1cc(C)c(N2C(=O)/C(=C\NCc3ccccc3)C(=O)NC2=S)c(C)c1 5885990 RYULGKOGIBRSME-ATVHPVEESA-N 379.485 3.033 10 40 GGCB CCOc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3)C(=O)NC2=S)c1 408739510 CJGZVWKBROCTRA-YSRGRYBESA-N 378.453 3.473 10 40 GGCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 408770422 XHZWDBISSOBFBQ-VBKFSLOCSA-N 395.386 3.490 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Br)o1 10906952 NTBIZSPIFRGJIL-UHFFFAOYSA-N 379.254 3.151 10 40 GGCB COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3cccs3)CC2)cc1 7620725 YYLVMSDCPCXPEB-IBGZPJMESA-N 385.533 3.242 10 40 GGCB COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 225420388 HNQQKRFTKRBJOQ-UHFFFAOYSA-N 399.516 3.105 10 40 GGCB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10274256 OHTJGOLVBIWLAI-UHFFFAOYSA-N 393.420 3.271 10 40 GGCB CNc1nc(SCC(=O)NCc2ccc(N(C)C)cc2)nc2ccccc12 12516229 UGYFQLAZZVUOHK-UHFFFAOYSA-N 381.505 3.146 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1 408774828 DCNNUPVKRBOTFX-NTEUORMPSA-N 386.791 3.111 10 40 GGCB COc1ccc2nc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)ccc2c1 6661013 DJXQYTYNKOVVEV-GDNBJRDFSA-N 388.470 3.309 10 40 GGCB CN(C)c1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1 96892200 YACWZSCWHRWWQN-XMHGGMMESA-N 375.428 3.224 10 40 GGCB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)cc(OC)c1OC 2281404 XOYHQOIXIIIRHD-NTEUORMPSA-N 398.440 3.384 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1C 5753694 WLTNPMMRTXXONW-RIYZIHGNSA-N 386.860 3.494 10 40 GGCB O=C1NC(=O)C(=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)C(=O)N1 16525825 DYJYLPIQKSKEKO-UHFFFAOYSA-N 390.370 3.307 10 40 GGCB Cc1noc(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 48356187 GQDSXVFWVNQZHP-KBPBESRZSA-N 389.471 3.293 10 40 GGCB CC(=O)Oc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 409182994 QNNOPZATPFHBTG-LFIBNONCSA-N 398.465 3.158 10 40 GGCB O=Cc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 5375093 IQRQAXXITUHSSQ-CHHVJCJISA-N 385.422 3.309 10 40 GGCB COc1ccc(N2C(=O)/C(=C/c3cccn3C(C)(C)C)C(=O)NC2=S)cc1 100826056 RYRHKOMWUNSCET-FOWTUZBSSA-N 383.473 3.083 10 40 GGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 2452579 RKUJFMHPDZGJGJ-CJAAZZPWSA-N 381.475 3.158 10 40 GGCB COc1cc(/C=C2\C(=O)N=C(O)N(c3ccc(C(C)C)cc3)C2=O)ccc1O 9067125 FCXAWQUNPYYGSZ-MHWRWJLKSA-N 380.400 3.395 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)c1 409233490 KTYLHYYKSGVISH-GZTJUZNOSA-N 380.469 3.452 10 40 GGCB CN(C)c1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 72393073 UOOMUSIXHBHMQP-LJQANCHMSA-N 389.503 3.278 10 40 GGCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1[C@@H](C)C(=O)O 107745768 JKGCNWVUFLRCKO-HIXWQLQUSA-N 389.411 3.057 10 40 GGCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NC1CCCCC1 5903636 JJATXYLDXPQFQQ-UHFFFAOYSA-N 391.423 3.068 10 40 GGCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 5947698 JKDWTDNDZLXSLQ-GZTJUZNOSA-N 395.415 3.203 10 40 GGCB CCCCN1C(=O)/C(=C/NC(c2ccccc2)c2ccccc2)C(=O)NC1=S 101203026 PJZFLWISIGUKME-OBGWFSINSA-N 393.512 3.293 10 40 GGCB CCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccc(OC)cc2)CC1 57669875 LCNZBVAZKFYHSX-IBGZPJMESA-N 386.544 3.490 10 40 GGCB CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OC 3570676 FUTBRVARDANNQM-GXDHUFHOSA-N 381.475 3.160 10 40 GGCB O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1Cl 3659237 IRJUICFSZUGOCX-UYRXBGFRSA-N 397.862 3.270 10 40 GGCB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)c1 5516560 PKTSIXNCMKTFSZ-MZAFNCFESA-N 379.445 3.352 10 40 GGCB COc1cccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c1O 19453647 MFLQNTSOALCRBE-UHFFFAOYSA-N 382.508 3.473 10 40 GGCB CCc1ccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)cc1 2965915 FYKZUGLIALJPEK-HXUWFJFHSA-N 384.481 3.328 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 6250496 XRPSRZRVUHRTKN-WOPDTQHZSA-N 379.478 3.489 10 40 GGCB COCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 112124644 RAANTAOHQHWUQW-HKWRFOASSA-N 397.450 3.485 10 40 GGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCC(C)C 9060363 WBCNLYFIJKWQRW-ATVHPVEESA-N 386.477 3.082 10 40 GGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408816201 SUZKJSUVSRMGAN-GZTJUZNOSA-N 380.400 3.069 10 40 GGCB C[C@H]1[C@@H]2C=C[C@@H]1[C@@H](c1c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc13)[C@H]2C(=O)O 100136659 BSAMRWOMXJWVCE-CQNUBWHNSA-N 394.379 3.251 10 40 GGCB in-vitro C[C@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccc(N2CCN(C)CC2)cc1 55711217 CKOKLQIFWKTPTQ-HNNXBMFYSA-N 397.910 3.231 10 40 GGCB COc1ccc(N2CCN(C(=O)CSc3cnc4ccccc4n3)CC2)cc1 12761252 HUUJDMMKHZZURA-UHFFFAOYSA-N 394.500 3.079 10 40 GGCB Cc1cccc(NC(=S)NNc2nc(NC(C)C)nc(NC(C)C)n2)c1C 27546106 DUVUFLNUNIXVMY-UHFFFAOYSA-N 388.545 3.443 10 40 GGCB COc1cccc(Oc2coc3c(CN4CCOCC4)c(O)ccc3c2=O)c1 20412359 VXVYVULZJGLXHY-UHFFFAOYSA-N 383.400 3.132 10 40 GGCB biogenic O=c1oc2c(CNCCCn3ccnc3)c(O)c(Cl)cc2c2c1CCCC2 20622832 VLMNPERGZWXSMC-UHFFFAOYSA-N 387.867 3.407 10 40 GGCB CCc1nc2ccccc2n1CC(=O)NCc1ccc(N2CCSCC2)cc1 48375153 GLNZIGMEDQSZLS-UHFFFAOYSA-N 394.544 3.468 10 40 GGCB COc1ccc(CN2C(=O)/C(=C/c3c(C)[nH]c4ccccc34)C(=O)N=C2O)cc1 17112293 YMSFSKBIRLVTGT-WOJGMQOQSA-N 389.411 3.351 10 40 GGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(O)cc1 13839757 FZAZJEGYSQLMGX-XMHGGMMESA-N 379.485 3.180 10 40 GGCB CC[C@@H](C)N1C(=O)/C(=C/N2CCN(Cc3ccccc3)CC2)SC1=S 30819339 CBWOXECVVCPDPC-ARSNJYAISA-N 375.563 3.304 10 40 GGCB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217026913 JRINHGGRYSPEAA-OAQYLSRUSA-N 385.483 3.051 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COCC[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 252505321 KTLXAERMSRLXKX-KEZQHZCBSA-N 388.552 3.021 10 40 GGCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 1151523 LYGOASLBCMHXFO-NTEUORMPSA-N 390.823 3.319 10 40 GGCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OCC)cc3)S2)C1 6388029 IIOHJJSECNRROH-UHVIJJLKSA-N 388.489 3.331 10 40 GGCB CSc1cccc(N2C[C@@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)CC2=O)c1 8429022 HWSINYVQGOJECF-KRWDZBQOSA-N 397.544 3.486 10 40 GGCB O=C(COC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 6790629 QSUAGYRYGJOPNS-UHFFFAOYSA-N 385.375 3.258 10 40 GGCB O=C1N=C(O)/C(=C\c2coc3ccc(O)cc3c2=O)C(=O)N1c1ccccc1 8968870 MCHJMVLDJAIFBY-OVCLIPMQSA-N 376.324 3.005 10 40 GGCB Cc1oc2ccc(O)c(CN3CCN(C)CC3)c2c1C(=O)NC1CCCCC1 19794019 FTCDLLRIFNIDNF-UHFFFAOYSA-N 385.508 3.257 10 40 GGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(C)c(C)c1 408807594 DHAMTWKVFYMVTI-UHFFFAOYSA-N 394.427 3.031 10 40 GGCB CN(C)c1ccc(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 32413372 CYVHOQKFWWTNMG-UHFFFAOYSA-N 392.908 3.029 10 40 GGCB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccc(F)cc1 27533888 GIXSHEQAEFBXTA-NTEUORMPSA-N 398.444 3.248 10 40 GGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NC(C)(C)C)C1=O 4263401 OWVJEIOEFKQVHG-KAMYIIQDSA-N 378.519 3.201 10 40 GGCB COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8963327 BLWPQTKKHZCOBD-JOCHJYFZSA-N 379.504 3.254 10 40 GGCB COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)O 104766345 OXBXEAIWPZCQDU-FZFLATATSA-N 389.433 3.348 10 40 GGCB CC(=O)Oc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3SC(C)C)cc1 4916969 JFOCMFZPHONQGI-ILZPQDLUSA-N 388.474 3.330 10 40 GGCB CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@H]32)cc1 107249360 SJNYEJROFDBSRH-WIYYLYMNSA-N 383.923 3.291 10 40 GGCB COc1cc(/C=C2/C(=O)N(CCc3ccc(F)cc3)C(=O)N=C2O)ccc1O 2286166 ZOHMHSDGHBNGNX-XNTDXEJSSA-N 384.363 3.085 10 40 GGCB CCOc1cc2c(cc1NS(=O)(=O)c1cccc3nsnc13)O[C@H](C)C2 19098197 QHZKIARBTGSGOE-SNVBAGLBSA-N 391.474 3.214 10 40 GGCB O=C(COC(=O)c1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O 6476159 VGAVYHPLFNUJRZ-UHFFFAOYSA-N 391.404 3.319 10 40 GGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(SCc2ccco2)o1 41076792 UAJOEHAAWBFPPG-OQLLNIDSSA-N 398.396 3.420 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COc3cccc4ccccc34)CC2)cc1 16953919 LBRVDSGNTWYRRL-OAQYLSRUSA-N 392.499 3.410 10 40 GGCB CCCc1ccc(OC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 20807123 PAYUOFDMBSMDOU-OAQYLSRUSA-N 384.520 3.210 10 40 GGCB CN1CCCc2cc(/C=C/C(=O)OCC(=O)Nc3cccnc3Cl)ccc21 64184104 LCCIEOHFWBVTAU-VQHVLOKHSA-N 385.851 3.313 10 40 GGCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 4457203 FTZUFBQIHOLNMV-PILJQMSFSA-N 392.452 3.414 10 40 GGCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 4663548 DBSMGYXKSACNQU-OVCLIPMQSA-N 384.417 3.099 10 40 GGCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1 408743653 WPZRIDZJYQTXJZ-NTEUORMPSA-N 387.258 3.280 10 40 GGCB CN1C(=O)C(=C/C=C/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(=O)N(C)C1=O 685944359 FJCLSBWTJFSPLI-BWNCJPDZSA-N 391.471 3.387 10 40 GGCB N=C1/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(c3cccs3)=NN12 5100831 KWRXFAUAJGIKCJ-ZWGDPFMXSA-N 383.414 3.324 10 40 GGCB CN(C)c1ccc([C@H](CNC(=O)C2CC2)N2CCN(c3ccccc3)CC2)cc1 22665179 LWGGVTZKZDVFGH-QHCPKHFHSA-N 392.547 3.142 10 40 GGCB O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(c2ccc(Cl)cn2)CC1 101239930 RIDLRUGKMYAASU-UHFFFAOYSA-N 397.910 3.143 10 40 GGCB COCCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 3440768 ZCYXDNNCGNIQSG-UHFFFAOYSA-N 388.468 3.446 10 40 GGCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3C)OCO4)C(=O)NC2=S)c1 408992537 UAOSJCUHKDPOIY-LZYBPNLTSA-N 394.452 3.172 10 40 GGCB Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c(C)c1 4083668 QJBGJXLMPPGXAY-UHFFFAOYSA-N 381.501 3.310 10 40 GGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c1 17029041 ZFQXNTZLJSQOEO-GHRIWEEISA-N 384.432 3.056 10 40 GGCB O=C([C@H]1CCCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1)N1CCOCC1 54447849 IEUBLUSUNVNVDB-INIZCTEOSA-N 398.503 3.088 10 40 GGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cc(C)cc(C)c1 408882333 QTYKXGCZXVDSGY-UHFFFAOYSA-N 394.427 3.031 10 40 GGCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1 48374278 KHCJSSAYGMAUAX-LOXVZWDBSA-N 395.547 3.221 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1OC 409248587 HFDOXYIALWPUMO-RVDMUPIBSA-N 396.468 3.234 10 40 GGCB CCn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409074690 UQPZATVJMRYJJW-PKNBQFBNSA-N 378.215 3.481 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)S1 32116856 XEFLGNRQZLMOCR-LICLKQGHSA-N 396.424 3.070 10 40 GGCB C#CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 33407678 QCHXFNPNZLDKOO-WJDWOHSUSA-N 396.830 3.212 10 40 GGCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)o2)cc1 13815453 ACJUSPDPEHTBST-HWCWCTJWSA-N 377.356 3.184 10 40 GGCB Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)nn1-c1ccc(F)cc1 46685883 JSFFHXUVFWERQU-UHFFFAOYSA-N 379.439 3.245 10 40 GGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S 9422509 ROGUVRMFTXAKFO-AAGJOFLKSA-N 390.530 3.379 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 6253687 XRPSRZRVUHRTKN-TUAOUCFPSA-N 379.478 3.489 10 40 GGCB Nc1ccc(Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)cc1 4575214 UGQYGOMAVDZVGP-UHFFFAOYSA-N 383.252 3.080 10 40 GGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(-c3csc(N)n3)c2C)c1 7763013 OHGMPPKCGDPHJQ-UHFFFAOYSA-N 385.445 3.373 10 40 GGCB CCN(CC)c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 149229286 UHUHBBCDZBODHW-UHFFFAOYSA-N 387.436 3.145 10 40 GGCB CN1C(=O)/C(=C/c2cc3cc4c(cc3nc2Cl)OCCO4)SC1=S 256055657 OTXRPWJLMIVCBV-MLPAPPSSSA-N 378.862 3.490 10 40 GGCB CC(C)(OC(=O)N[C@H](CC(N)=O)C(=O)O)c1ccc(/N=N/c2ccccc2)cc1 5492416 CYAURHDYGNVMLA-QOJBGXHZSA-N 398.419 3.392 10 40 GGCB Cc1cc(=O)[nH]c(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)n1 71233676 PMRZVUVWEBNZAA-UHFFFAOYSA-N 395.912 3.278 10 40 GGCB COC(=O)CCCNC1=C2Sc3ncnc(N(C)C)c3N=C2CC(C)(C)C1 20677639 QNSZNSWBEHUUPW-UHFFFAOYSA-N 389.525 3.295 10 40 GGCB COc1cccc(CN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)c1 103916103 QPDFCLSSOMVTLU-UYRXBGFRSA-N 380.404 3.390 10 40 GGCB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)N=C2S1 5369977 VVYYVNZKHLJAGR-WNMDJLCMSA-N 379.445 3.439 10 40 GGCB Cc1sc(NS(=O)(=O)c2ccc(Br)cc2)c(C(N)=O)c1C 27931352 UOVDGERSXFEJQA-UHFFFAOYSA-N 389.296 3.027 10 40 GGCB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 225671259 MOLLJDOWCOYSNO-SFHVURJKSA-N 394.515 3.486 10 40 GGCB COc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1-n1cccc1 61718687 IWEBTVHAOCSQAF-UHFFFAOYSA-N 386.458 3.291 10 40 GGCB Cc1occc1C(=O)NN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361171 DUPIRMFZKXKADZ-NVNXTCNLSA-N 396.453 3.077 10 40 GGCB CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCC3)cc2)SC1=S 408576733 QRWXDKBXQKJNNH-WJDWOHSUSA-N 390.530 3.297 10 40 GGCB O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(CCc3ccc(F)cc3)[nH]c21 4862823 DRQUWYWMJQCYLC-UHFFFAOYSA-N 386.382 3.487 10 40 GGCB CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)ccc1O 9044996 SEAUZAWDGJPPBL-OQLLNIDSSA-N 384.363 3.432 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1 409136184 UGACRGPDWUZZOM-MHWRWJLKSA-N 396.468 3.152 10 40 GGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(C)cc3)C2=O)c1 408854048 WITOAVTVDZEJRE-SFQUDFHCSA-N 394.427 3.459 10 40 GGCB CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 35898097 APGBSEMNLDDZGK-BVIHXZOGSA-N 389.473 3.265 10 40 GGCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1c[nH]c2cc(F)ccc12 13623868 YJOGEQDKEOCCCX-LICLKQGHSA-N 377.375 3.012 10 40 GGCB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 44910926 WHXJHWLGUOSZTA-UHFFFAOYSA-N 390.487 3.006 10 40 GGCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1C 15013622 HNBMKDUIHVBREM-WJDWOHSUSA-N 380.469 3.452 10 40 GGCB Cc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 13898526 VESXSOROGKBYTH-DHDCSXOGSA-N 384.417 3.099 10 40 GGCB COc1ccc(-c2cc(=O)oc3c(CNC[C@H]4CCCO4)c(O)ccc23)cc1 6670100 WUDMTHJFIHEANE-MRXNPFEDSA-N 381.428 3.443 10 40 GGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NNc3ccc(Cl)cc3)C2=O)c1 408536925 YGCLIJRDXMURJO-XNTDXEJSSA-N 384.823 3.040 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 409097321 GJDSRHVMWYUSOT-HMHNVIDESA-N 392.452 3.414 10 40 GGCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4)o3)S2)CC1 2309979 CVNGEAMQHYCRHZ-CPNJWEJPSA-N 395.484 3.389 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)c([N+](=O)[O-])c1 4125191 LQDLYEDCXNWHCN-UHFFFAOYSA-N 381.388 3.312 10 40 GGCB O=C1NC(=S)NC(=O)C1=Cc1c(Cc2ccccc2F)ccc2ccccc12 408878780 BCBBZKYXRCNOTB-UHFFFAOYSA-N 390.439 3.484 10 40 GGCB CN(C)c1ccc(/C=C/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 35177582 MEGACWUIQLFHGT-HWUFZJDPSA-N 399.516 3.358 10 40 GGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 5284595 JDDFFXRUAPFICG-OEMOTLHWSA-N 380.447 3.295 10 40 GGCB Cc1cc(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccccc1 9118208 VZWNBCKEVVQHSY-ZHACJKMWSA-N 377.488 3.188 10 40 GGCB COc1ccc(N2CCN(C(=O)CCCOc3ccc(C(C)=O)cc3)CC2)cc1 5930291 NSRVIFGHVJBJRT-UHFFFAOYSA-N 396.487 3.406 10 40 GGCB CCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(N(C)C)cc1 7363039 CFOYIHUXWGASTL-UHFFFAOYSA-N 394.519 3.105 10 40 GGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/Nc3ccc4c(c3)CCC4)C2=O)c1 9356730 WZGMRCJGQQSJMK-UNOMPAQXSA-N 375.428 3.371 10 40 GGCB COc1cc(C)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 409083939 UXEXABUZDZIDPL-LWLPBDFMSA-N 379.503 3.392 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)s3)C2=O)cc1 408964420 CFWGMUSSWDKZMB-UKTHLTGXSA-N 376.821 3.467 10 40 GGCB O=C(c1n[nH]c(=O)c2ccccc12)N(Cc1ccco1)Cc1ccccc1O 98076229 JUKDJHWFNHJKDC-UHFFFAOYSA-N 375.384 3.064 10 40 GGCB C[C@@H](OC(=O)C1CCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5507463 VZZPHXKYMZIPAK-GFCCVEGCSA-N 377.396 3.132 10 40 GGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)SC1=S 5374787 ARETZVSRYLSKCD-XNTDXEJSSA-N 398.465 3.468 10 40 GGCB COc1c(C(C)C)c(O)c(O)c2c1[C@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 604379907 TZZLSFDQMRMADF-NFQYFHPZSA-N 376.449 3.266 10 40 GGCB biogenic,in-vitro COc1ccc([C@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCS3)cc1OC 17051186 JROYAAIDDOGUNK-OAQYLSRUSA-N 385.509 3.183 10 40 GGCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 59435672 FULNEQBFSJEYPV-BOPFTXTBSA-N 379.412 3.274 10 40 GGCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccnc1 16771385 XZCMTYDGMNFPNT-PVZXKMMOSA-N 381.482 3.478 10 40 GGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1 409249695 VEURMEBIAWVSIO-LFIBNONCSA-N 396.468 3.152 10 40 GGCB COc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C1=O 2181569 GXMYJHIDOISRNW-FMIVXFBMSA-N 397.343 3.119 10 40 GGCB O=C1C[C@@H](N2CCC[C@@H](O)C2)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 14356927 YUQYYLXVHCWDMG-WEIAAZMQSA-N 378.432 3.191 10 40 GGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1ccccc1Cl 408867356 LTELCTHHEFJURH-UHFFFAOYSA-N 384.819 3.079 10 40 GGCB COc1ccc(N2CCN(C(=O)c3snnc3-c3cccs3)CC2)cc1 225789972 VROGPNSENQKDTB-UHFFFAOYSA-N 386.502 3.238 10 40 GGCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 1162980 OEPCBYXNGPMMHX-VQCBNXJZSA-N 399.472 3.477 10 40 GGCB Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 21670532 MCIBPGSIHNDNIK-HZPDHXFCSA-N 384.476 3.157 10 40 GGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1O 408584804 VIKLRWXRLIXSDN-WJDWOHSUSA-N 380.356 3.178 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1cccc([N+](=O)[O-])c1 12378268 HNYGSXBLUXIIPE-NBVRZTHBSA-N 394.456 3.387 10 40 GGCB O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)N1Cc1ccc(F)cc1 17028690 RIKBSDKJZWWSCZ-KPKJPENVSA-N 375.337 3.298 10 40 GGCB Cc1cc(C)nc(NN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)n1 1017701 RHKQJQFNACORCP-GDNBJRDFSA-N 385.518 3.388 10 40 GGCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 12584728 PQDZFVVLANEPLV-BOPFTXTBSA-N 380.400 3.053 10 40 GGCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c2C)cc1 2369164 GNWXDHWEYWYUQS-LICLKQGHSA-N 396.472 3.149 10 40 GGCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OC(C)(C)C)c1 33664367 PCHMCHRVSJAIPY-AQTBWJFISA-N 379.460 3.391 10 40 GGCB NC1=NC(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)S1 13150182 KPGLVNVWELOYNI-OQLLNIDSSA-N 387.848 3.287 10 40 GGCB CO[C@@H]1OC[C@@H](N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 4934377 LDKUKCNTXKOLMH-PDOICOKGSA-N 397.387 3.119 10 40 GGCB CCOc1ccccc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O 682815 KCWWTFYCHRSHSD-RVDMUPIBSA-N 387.233 3.309 10 40 GGCB COC(=O)/C=C(/C)NC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccccc1 103705797 USHVASGKGUJVPB-XXARGXJVSA-N 376.416 3.009 10 40 GGCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 4657312 UPPOMTNFJLEUQG-PDGQHHTCSA-N 388.379 3.415 10 40 GGCB Cc1csc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)n1 4745407 KLGFTNABDYYMCM-BJMVGYQFSA-N 381.529 3.353 10 40 GGCB O=C1[C@@H](Cc2cc3c(cc2Cl)OCO3)SC(=S)N1Cc1cccnc1 6970953 VGTIKCLTURQWCY-OAHLLOKOSA-N 392.889 3.435 10 40 GGCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCN(C)CC2)c1O 19372078 DHZAKJAZBCPAAD-UHFFFAOYSA-N 399.516 3.240 10 40 GGCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1276897 HHZODAOCSXTTMY-CLUBXZQOSA-N 386.292 3.212 10 40 GGCB O=C(O)COc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 2204374 ZYUZRBAYVNYFQG-NVNXTCNLSA-N 387.438 3.261 10 40 GGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 1504726 WBVFYGGJLHJHIW-GDNBJRDFSA-N 399.453 3.449 10 40 GGCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c(O)c1 5393275 XYHSIGNFQLNBSK-UNOMPAQXSA-N 379.460 3.317 10 40 GGCB COc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)cc1 2698193 RMYNLYNJRHVJNU-RIYZIHGNSA-N 375.427 3.241 10 40 GGCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1O 59435683 WQHMPTDMOCSMDR-JXAWBTAJSA-N 393.439 3.316 10 40 GGCB COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OC(C)C 1281952 GOBUWNHWWXAYBO-WULZRQGASA-N 381.475 3.157 10 40 GGCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccnc3)C2=O)cc1 27530550 QQSBMRAEIHPQPP-MHWRWJLKSA-N 399.497 3.320 10 40 GGCB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 19079480 DEGYUBIACJQDAP-UHFFFAOYSA-N 390.490 3.020 10 40 GGCB NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O 409344322 IPPPKMTZUCGBMB-DHDCSXOGSA-N 388.445 3.096 10 40 GGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 408799775 KZLZORHZKCZTCD-QGOAFFKASA-N 380.400 3.150 10 40 GGCB COc1ccc(N2CCN([C@@H](CNC(=O)C(C)(C)C)c3ccco3)CC2)cc1 56946089 XNPLNPHCIRLMQO-IBGZPJMESA-N 385.508 3.314 10 40 GGCB COc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)S2)c(OC)c1 5373351 HOFDVJXKXDOEED-NXVVXOECSA-N 399.403 3.248 10 40 GGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccsc3)C2=O)c1 4704540 DTFHWUCJTYBBBU-ZROIWOOFSA-N 386.429 3.212 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 5021137 JPHYGCWJMAFAHY-WOPDTQHZSA-N 377.462 3.265 10 40 GGCB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(OC)c1O 4679207 AJBJGZROKUEATC-UHFFFAOYSA-N 397.431 3.252 10 40 GGCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 409389916 CWOPKRWFKCZAOE-LFIBNONCSA-N 377.331 3.147 10 40 GGCB CCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 100805531 FJDLKGQIFWRIDC-QYZOEREBSA-N 399.878 3.272 10 40 GGCB O=C(CN1CSCC1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10909784 AFPUUDSLROLLSR-QFIPXVFZSA-N 392.480 3.284 10 40 GGCB Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c2c(C)noc2n1 48375110 FZGXUUVXBDOCNI-UHFFFAOYSA-N 382.489 3.323 10 40 GGCB O=C(O)CCN1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S 18066740 OAFMWKMIUAMPHN-NQXFEYKRSA-N 398.849 3.393 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(OC)c1 409136409 UKRBUGKOPNNBSB-MHWRWJLKSA-N 396.468 3.152 10 40 GGCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccccn1 9379094 NHEIXUGIEQRMMA-PEBXRYMYSA-N 394.475 3.173 10 40 GGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)c1 409066835 MLZKDAGYQFWHJU-SFQUDFHCSA-N 393.418 3.401 10 40 GGCB Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc(-c2ccncc2)n1 58243946 MKLXESPUUADUFA-UHFFFAOYSA-N 379.439 3.435 10 40 GGCB O=C1CO[C@@]2(CCCN(Cc3ccccc3O)CC2)CN1c1cccc(F)c1 2037977922 XUOSHQYOMNOXGP-JOCHJYFZSA-N 384.451 3.319 10 40 GGCB CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3nc21 23078272 RJZJPUPSGQBVNX-ZHACJKMWSA-N 375.388 3.034 10 40 GGCB COc1ccccc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 48356148 VMDLOPJFZCWPCT-IYBDPMFKSA-N 386.467 3.307 10 40 GGCB COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)o2)c1 5435407 ARFPBCJKGYWAAA-UHFFFAOYSA-N 388.401 3.140 10 40 GGCB NC(=O)C1CCN(C(=S)c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)CC1 409203711 YPINYKNQTLXKPG-UHFFFAOYSA-N 392.864 3.171 10 40 GGCB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 12089305 JVFUAEVACDRRMD-HXUWFJFHSA-N 393.487 3.268 10 40 GGCB CCn1cc(C(=O)N2CCc3ccccc32)c2nn(-c3ccccc3)c(=O)c-2c1 9661427 BXDOJOSITNRNBX-UHFFFAOYSA-N 384.439 3.362 10 40 GGCB COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 4949715 PQDZFVVLANEPLV-GZTJUZNOSA-N 380.400 3.053 10 40 GGCB Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(O)cc3)c(C)s2)no1 6680181 RSBJOLXDSVYJAB-UHFFFAOYSA-N 393.446 3.112 10 40 GGCB Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1 408875439 FPZYDGKBJVZZDR-UHFFFAOYSA-N 386.860 3.142 10 40 GGCB CCCCCCN1C(=O)NC(=O)/C(=C/Nc2ccc(N(CC)CC)cc2)C1=O 6782985 ZGIRXGPPFSTNHA-SDXDJHTJSA-N 386.496 3.487 10 40 GGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1OC 10113202 JKHPYPWCQVNCBY-UHFFFAOYSA-N 390.505 3.173 10 40 GGCB CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccsc2)C(=O)N(C)C1=O 79068432 LYFWWFAUQCXRIC-UHFFFAOYSA-N 392.440 3.035 10 40 GGCB CC(C)Oc1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 48331677 NORJLAFSHQWBHT-UHFFFAOYSA-N 380.539 3.142 10 40 GGCB C/C(NCCCO)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 4736827 ZEPNSUBBVZOWIA-NBVRZTHBSA-N 392.484 3.293 10 40 GGCB O=C(O)COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1 408971900 LPQCVIWEYYOCCD-GDNBJRDFSA-N 390.317 3.499 10 40 GGCB O=C(c1cc(Br)c[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1 84504630 KIZLJGXFHLEQAB-CQSZACIVSA-N 379.254 3.304 10 40 GGCB O=C1c2ccccc2C(=O)[C@@H]2S[C@H]3C(=O)c4ccccc4C(=O)[C@@H]3S[C@@H]12 17747978 BQPAVUCZTHBGEU-MUGJNUQGSA-N 380.446 3.099 10 40 GGCB CCc1cc(Br)ccc1NS(=O)(=O)c1cccc2nonc12 13948546 WLWUQPKZVGGMDZ-UHFFFAOYSA-N 382.239 3.349 10 40 GGCB COC(=O)Cc1c(C)c2cc(CNCCc3ccccc3)c(O)c(C)c2oc1=O 9531610 WLQGFCCQPDXDAL-UHFFFAOYSA-N 395.455 3.163 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O 408890900 IEOICWTVJPAWNG-MDWZMJQESA-N 386.791 3.111 10 40 GGCB O=C1N=C(O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 16399897 AVLKBAWCWSHDLM-SDQBBNPISA-N 387.735 3.461 10 40 GGCB COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1OCC(=O)O 9188862 FGFZXUJGEOFRQB-WJDWOHSUSA-N 390.461 3.005 10 40 GGCB Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 12363802 DVWXIWVAMHBWGQ-JYRVWZFOSA-N 391.246 3.182 10 40 GGCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccccc1 408549981 CKAFDASQWQTBKQ-XFXZXTDPSA-N 375.812 3.223 10 40 GGCB O=C1c2ccccc2C(=O)c2c(NS(=O)(=O)Cc3ccccc3)cccc21 3844859 BLUUNZIAXJUFGM-UHFFFAOYSA-N 377.421 3.404 10 40 GGCB biogenic COc1ccc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 32109798 JPUOOFFOCQQDJL-ZSOIEALJSA-N 392.333 3.184 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S)c1ccccc1 5445101 BFWFAUSRAACVLI-LFIBNONCSA-N 398.465 3.004 10 40 GGCB Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)o3)C(=O)NC2=S)c1 6478804 IYHZRUBQIOAXJQ-VBKFSLOCSA-N 381.457 3.020 10 40 GGCB CCCc1ccc(OC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 20807119 PAYUOFDMBSMDOU-NRFANRHFSA-N 384.520 3.210 10 40 GGCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCC(OC)OC 112122481 UICWVFWHEQKVFZ-ATVHPVEESA-N 388.493 3.282 10 40 GGCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\N1CCOCC1 408532915 MYTJXYBXWYXCSP-UVTDQMKNSA-N 378.270 3.005 10 40 GGCB CCc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 4591281 QBBGXHUIXSDVNU-FMQUCBEESA-N 375.450 3.391 10 40 GGCB Cc1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c(C)n1-c1ccccc1 6831497 QRRWWNRSOKEZLY-UHFFFAOYSA-N 383.448 3.019 10 40 GGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)c1 408852134 CMHSWKUPQYXLMD-LFIBNONCSA-N 398.390 3.290 10 40 GGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 408812957 PZHQHFQFBSNWOU-SFQUDFHCSA-N 394.427 3.459 10 40 GGCB O=C(O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 5373361 XGSDTADDVLFQKU-ZSOIEALJSA-N 385.422 3.489 10 40 GGCB CC1=NN(c2ccccc2C)C(=O)/C1=C/NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15133470 UFRFFIXGEZGHKU-GXDHUFHOSA-N 396.363 3.035 10 40 GGCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 5098033 LSMHWUGTVCUVHH-HXUWFJFHSA-N 382.464 3.228 10 40 GGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCCCC2)C1=O 13576666 KZBUTVOPSCUHOQ-SSZFMOIBSA-N 390.530 3.299 10 40 GGCB CN1C(=O)/C(=C2/CC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21 13654926 QLKBFGSHNTXINE-VKAVYKQESA-N 397.228 3.143 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OC)c1O 408893375 MUJOMOMOGUGREB-WJDWOHSUSA-N 383.375 3.417 10 40 GGCB COc1cc(OC)cc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c1 218895219 UPVAFGIBNWTGQE-UHFFFAOYSA-N 384.476 3.389 10 40 GGCB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)N=C2S1 33531788 VVYYVNZKHLJAGR-LXPIUTEMSA-N 379.445 3.439 10 40 GGCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 40394741 CAHIBDAWQAMAMK-BJMVGYQFSA-N 394.170 3.069 10 40 GGCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C(C)C)cc1 408595401 QDVZREYHSNODEF-VCHYOVAHSA-N 381.432 3.195 10 40 GGCB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)SC1=S 409135502 RPIMYZVJKWEMEU-BOPFTXTBSA-N 399.541 3.485 10 40 GGCB CCOc1ccccc1/C=C1/C(=O)N(CCOC)C(=O)N(c2ccccc2)C1=O 409016006 TYPXZOKWBQUEMO-SDXDJHTJSA-N 394.427 3.111 10 40 GGCB CN(C(=O)c1c[nH]nc1[C@H]1CCNC1)c1ccc(OCc2ccccc2)cc1 662810193 NRFLFBAJGPJGIF-KRWDZBQOSA-N 376.460 3.342 10 40 GGCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1S 16450228 LAXDKGCPDMOVAG-XFXZXTDPSA-N 389.889 3.372 10 40 GGCB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3O)C[C@H]21 10214460 DBRYTMITTJYGIA-GOSISDBHSA-N 379.460 3.366 10 40 GGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OC)cc1 107977983 XIJGOJLXIXOAKF-PDGQHHTCSA-N 394.383 3.481 10 40 GGCB CN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 2206833 BEXUSPFREZDVKI-KAMYIIQDSA-N 395.465 3.318 10 40 GGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccccc1 112120087 YRZCVSSQLIYOGS-ZHZULCJRSA-N 379.416 3.347 10 40 GGCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1[N+](=O)[O-] 4256028 QOOBUPBDRLTZQP-GXDHUFHOSA-N 380.360 3.168 10 40 GGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)S1 5373344 BMJRINCSYFPMHT-PFONDFGASA-N 397.387 3.237 10 40 GGCB CCOC(=O)c1c(NC=C2C(=O)OC(C)(C)OC2=O)sc2c1CC[C@@H](C)C2 23127160 HKCPOKQAHUMLKI-SNVBAGLBSA-N 393.461 3.182 10 40 GGCB COC(=O)c1cc2ccccc2c(CN(C)Cc2ccc(C(N)=O)cc2)c1O 32770227 WODDCJYIJSAJLE-UHFFFAOYSA-N 378.428 3.063 10 40 GGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)cc1 7850456 KUPOCADVRCCDTI-UHFFFAOYSA-N 398.488 3.088 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1916913 BTMKCKKXXVOQFP-RAXLEYEMSA-N 380.447 3.441 10 40 GGCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4c(OC)cccc34)CC2)cc1 20737597 ZTLOGZWCCOXDLJ-OAQYLSRUSA-N 395.459 3.133 10 40 GGCB O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccc(Cl)cc1 33765356 QSYWFHYRFNNCCZ-MDWZMJQESA-N 375.862 3.281 10 40 GGCB CCSc1ncc(Cl)c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 6804300 PZHOPTTZHXDJOA-UHFFFAOYSA-N 392.912 3.213 10 40 GGCB O=C1/C(=C\c2cc3ccccc3o2)SC(=S)N1CCCN1CCOCC1 96935947 QLKANZZXPJEKML-GHRIWEEISA-N 388.514 3.356 10 40 GGCB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 7496872 QBHZQXMVRBOXKI-VMPITWQZSA-N 383.404 3.092 10 40 GGCB C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)ccn3)cc2F)C[C@@H](C)O1 70019532 BHEGEMKHFBEAKT-CHWSQXEVSA-N 377.847 3.418 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(O)c1 408886330 JYXYNYSCCPQGQY-MDWZMJQESA-N 386.791 3.029 10 40 GGCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C(C)C 4544507 HXJDJYZDAUBNNH-PXNMLYILSA-N 395.415 3.081 10 40 GGCB COC(=O)C1=C(C(=O)OC)SC(=CC(=S)c2ccc(OC)cc2)S1 4473245 KFKOZMKIEZDHKX-UHFFFAOYSA-N 382.484 3.292 10 40 GGCB CCN(CC)c1ccc(CNS(=O)(=O)c2cc(OC)ccc2OC)cc1 56105709 XMNPVUCRXRIRRE-UHFFFAOYSA-N 378.494 3.029 10 40 GGCB CC1(C)Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)ccc2O1 408710821 NARFYVBSHRARHZ-MHWRWJLKSA-N 380.375 3.206 10 40 GGCB COc1ccc(N2CCN(CCCNC(=O)/C=C/c3cccs3)CC2)cc1 32765932 PAVDVYGMNWGFSM-MDZDMXLPSA-N 385.533 3.098 10 40 GGCB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1C 217025467 PAOHAUHVGQCHHP-IBGZPJMESA-N 381.520 3.139 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COCC[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 104492558 KTLXAERMSRLXKX-XWSHUIEDSA-N 388.552 3.021 10 40 GGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 2442766 JIRMTWCWZCAASZ-QENILXLESA-N 381.475 3.158 10 40 GGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C(C)C 14011020 HXJDJYZDAUBNNH-LZYBPNLTSA-N 395.415 3.081 10 40 GGCB Cc1[nH]c2ccccc2c1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409203823 YECPZQFVMMHNLR-VCHYOVAHSA-N 392.390 3.147 10 40 GGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5235974 PJZRSDPMCVTHHB-FYQHACEVSA-N 389.502 3.274 10 40 GGCB Cc1cccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)c1C 4086752 GMBGKVSQFDJNGY-HXUWFJFHSA-N 384.481 3.382 10 40 GGCB O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C\c1ccc(O)cc1 23115531 LJMABELPNXEOFV-UYRXBGFRSA-N 397.475 3.319 10 40 GGCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1N1CCCC1 408856478 IVNGOIJMSFEGIB-PDGQHHTCSA-N 393.418 3.401 10 40 GGCB CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@@H](OCc2ccccc2)[C@H]1N=[N+]=[N-] 257347313 DTOKMRPGYNPGPJ-VYDRJRHOSA-N 386.376 3.101 10 40 GGCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)c1 1816412 QRPFLBNGSUZPSD-YLHGKKIISA-N 381.475 3.014 10 40 GGCB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 7146276 UAKJWQPLQCXKEZ-UHFFFAOYSA-N 383.311 3.336 10 40 GGCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 409100613 QSMUQPYKIMRGGV-JLHYYAGUSA-N 386.860 3.488 10 40 GGCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC)C3=O)c2C)c1 409244292 ASJDNCXUUJVDQP-LDADJPATSA-N 381.432 3.183 10 40 GGCB O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1 96118141 XGYPEPLNSJPCNQ-AWEZNQCLSA-N 390.374 3.445 10 40 GGCB CN1CCCc2cc([C@@H](CNC(=O)c3cccc(F)c3)N3CCOCC3)ccc21 13008319 RDPMCBIZPBAJCN-JOCHJYFZSA-N 397.494 3.011 10 40 GGCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1CCCCC1)c2[N+](=O)[O-] 4742484 ZJZZHBATBYTLNV-UHFFFAOYSA-N 378.384 3.433 10 40 GGCB CN(C)C(=O)[C@@H]1CCCN1Cc1c(O)ccc2cc(Br)ccc12 12819912 KEGCNQOAGXNOTB-INIZCTEOSA-N 377.282 3.361 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cs3)C2=O)cc1 408899304 OFQUGJYWMLFLNK-NTUHNPAUSA-N 391.246 3.485 10 40 GGCB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccccc1 2629500 CBWLBKHONHLTEK-UHFFFAOYSA-N 394.452 3.122 10 40 GGCB Cc1ccc2nc(COC(=O)c3sc4nc(C)cc(C)c4c3N)cc(=O)n2c1 10645047 CENJGVQIAXPFNJ-UHFFFAOYSA-N 394.456 3.169 10 40 GGCB O=C1O[C@H](C2C(=O)c3ccccc3C2=O)C(Br)=C1Oc1ccccc1 101462897 ULFJRBIJYIYSAJ-QGZVFWFLSA-N 399.196 3.293 10 40 GGCB CN(C)c1ccc(CNC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8172132 ILDMZAXXYZXVHN-UHFFFAOYSA-N 397.563 3.482 10 40 GGCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 408996372 DGLNVJHHVKANPB-UHFFFAOYSA-N 394.283 3.315 10 40 GGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)NCc1cccnc1)c1ccccn21 95478304 LBUYCMZSZMQQJA-UHFFFAOYSA-N 381.391 3.040 10 40 GGCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C\NCCC1=CCCCC1 6562358 SMLIZQAJUJDKSP-SDXDJHTJSA-N 387.549 3.484 10 40 GGCB CSc1ncc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)n1-c1ccccc1 34873428 CRBUWOQNZXXNHP-UHFFFAOYSA-N 384.417 3.138 10 40 GGCB COCCN1C(=O)/C(=C\c2cccc(OC)c2OC(F)F)SC1=S 14196676 CTUNTGXCDGFBDA-DHZHZOJOSA-N 375.418 3.144 10 40 GGCB CCN1CCN(Cc2c(O)ccc3oc(C)c(C(=O)NC4CCCC4)c23)CC1 19794029 OZDRHMOOYPCCNI-UHFFFAOYSA-N 385.508 3.257 10 40 GGCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409392845 NYBVKOIZHQQMKW-QGOAFFKASA-N 386.411 3.156 10 40 GGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(CN2CCOCC2)c1 44846431 BDALZLUUZOCNIO-UHFFFAOYSA-N 379.504 3.049 10 40 GGCB CCOc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)ccc1O 16688764 XVJMJZIFOVASIF-ZSOIEALJSA-N 397.343 3.206 10 40 GGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373861 SZGRDCZXFLFQGQ-CYXIBPNKSA-N 390.280 3.497 10 40 GGCB O=C1N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C(=O)N1C1CCCCC1 8971405 VPLAOHISIALBSP-UMADGWCESA-N 397.479 3.249 10 40 GGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1F 20460169 LSIVNWVWEJOQLV-UHFFFAOYSA-N 378.469 3.303 10 40 GGCB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 6044032 NRNVMWAVEMFGBL-CXUHLZMHSA-N 386.429 3.009 10 40 GGCB CCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OC 83292651 WSULWUNYYWIZDG-SSTXIFODSA-N 376.478 3.173 10 40 GGCB CN(C)c1ccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)cc1 67898158 RMJLRQUGZZZQJA-UHFFFAOYSA-N 393.487 3.421 10 40 GGCB biogenic,in-vitro CCOCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC 224407460 SSPCGTJOOMPGGK-UHFFFAOYSA-N 384.476 3.203 10 40 GGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)S2)cc1 5373340 OBUZAOGSQJSOEO-NXVVXOECSA-N 396.403 3.189 10 40 GGCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(C=C3C(=O)NC(=S)NC3=O)cc21 223508099 ATRFRNUDXYFZQH-UHFFFAOYSA-N 383.517 3.320 10 40 GGCB CCOc1cccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1O 12187350 AISLPKLAULKUAV-UHFFFAOYSA-N 395.463 3.319 10 40 GGCB COc1ccc(C(=O)NN2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1 5552737 OACVFABUDMQJOT-XEXQVEHGSA-N 386.454 3.391 10 40 GGCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c(OC)c1OC 13765356 FHWXBZMNZBKKOL-KAMYIIQDSA-N 382.372 3.219 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(C)cc(C)c4o3)CC2)cc1 5348846 HFQSPUNVLCHARU-UHFFFAOYSA-N 392.455 3.381 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 22733221 VDCVQYQQRKTDFT-NRFANRHFSA-N 399.922 3.136 10 40 GGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c(C)c2)C1=O 409245984 CAKJAFCXXUOLFY-NTCAYCPXSA-N 380.400 3.069 10 40 GGCB C[C@@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 33315656 SHGLUBCEWOIIIL-VVTMIQRTSA-N 393.418 3.129 10 40 GGCB Cc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 13899412 WEYVNTBNJNCOOO-GDNBJRDFSA-N 385.217 3.424 10 40 GGCB O=C1NC(=S)S/C1=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 408724082 DTBUGSULEVGDLW-NTEUORMPSA-N 386.410 3.303 10 40 GGCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408816790 URLZNQOWXZSVEP-LDADJPATSA-N 394.427 3.459 10 40 GGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1O 6132972 CGJPHGYUSPLKSY-MDWZMJQESA-N 376.484 3.294 10 40 GGCB O=S(=O)(Nc1ccc(Oc2cnccn2)cc1)c1cccc2nsnc12 40134994 NELLAKZNKMENAL-UHFFFAOYSA-N 385.430 3.074 10 40 GGCB CCC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1C 19079577 ILUHUTDKKQFIFM-UHFFFAOYSA-N 376.463 3.149 10 40 GGCB O=S(=O)(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1cccnc1 95946358 XWXKSOUCNGDAFZ-IBGZPJMESA-N 379.441 3.327 10 40 GGCB O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1CN1CCOCC1 21762819 SBXSMPNHQVVIJD-ATVHPVEESA-N 386.498 3.438 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)c1 409239867 REDOLROFDYKOLJ-GXDHUFHOSA-N 386.860 3.488 10 40 GGCB OCCN1CCN([C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)CC1 19680936 QTFOYBLNHQVZBF-OAQYLSRUSA-N 397.906 3.293 10 40 GGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 2586851 BNNUFBYKHRMADK-RGEXLXHISA-N 392.459 3.107 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1ccncc1 13532886 AVFLOVMDYULDKZ-LCYFTJDESA-N 375.862 3.281 10 40 GGCB Cc1cc(C)cc(Cc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1 408865739 DUWFQDFCUFAOAO-UHFFFAOYSA-N 384.888 3.462 10 40 GGCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1O 408977687 JNNFDWQAOXYBFG-ATVHPVEESA-N 379.412 3.274 10 40 GGCB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408800550 POBHAEYKAQSQJF-MHWRWJLKSA-N 395.371 3.048 10 40 GGCB O=C1NC(=O)C(=Cc2ccc(Cc3ccccc3Cl)c(Cl)c2)C(=O)N1 408872304 CSINHPOQMODZAW-UHFFFAOYSA-N 375.211 3.334 10 40 GGCB COc1ccc(N2CCN(c3nc(C)c(Cc4ccccc4)c(=O)[nH]3)CC2)cc1 8974395 KSHGOBQXSHQQMU-UHFFFAOYSA-N 390.487 3.004 10 40 GGCB Cc1cc(C)cc(Cc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)c1 408881059 LNHZZTLURQWUHZ-UHFFFAOYSA-N 384.888 3.462 10 40 GGCB CS(C)(=O)=Nc1cccc2c1C(=O)c1cccc(N=S(C)(C)=O)c1C2=O 5527621 ZSYGXXIALMRRHX-UHFFFAOYSA-N 390.486 3.180 10 40 GGCB O=S(=O)(c1ccccc1)N1N=C(c2ccccn2)C[C@@H]1c1ccccc1O 96024240 IXSYFFVHRPWJPW-LJQANCHMSA-N 379.441 3.327 10 40 GGCB COc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3Cl)CC2)cc1 57548432 HUMAPJWAMMGXIA-UHFFFAOYSA-N 377.847 3.248 10 40 GGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(SC(F)F)cc2)o1 1453190 LVKZHRPWPVGADF-UHFFFAOYSA-N 380.397 3.176 10 40 GGCB CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)Nc1nncs1 58050756 UBGWVRBNQWVUCK-UHFFFAOYSA-N 375.498 3.207 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1O 409240079 OGJPQWNHDGSPMF-MHWRWJLKSA-N 396.468 3.356 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cs1 408903813 ZURRXAGDHUCAAC-WUXMJOGZSA-N 395.209 3.316 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1 4057780 VEFKHNDREGYEHR-QFIPXVFZSA-N 396.487 3.215 10 40 GGCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)C(=O)N1 408807875 LHJXRKDBQWYFGP-UHFFFAOYSA-N 391.210 3.322 10 40 GGCB CC[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551733 BCZXGNHLOHNDGD-WIOAZZGGSA-N 381.388 3.234 10 40 GGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 409210623 LTDCEXLUPQMSQT-NTUHNPAUSA-N 377.183 3.365 10 40 GGCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1C(C)C 25719047 WLAVXTXZILOMOB-UHFFFAOYSA-N 394.562 3.392 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1276895 IQAQERXFBHBIPY-XNYAHFKXSA-N 386.292 3.212 10 40 GGCB CC(=O)N1CCc2nc([C@H]3CCCCN3Cc3cc(C)ccc3O)ncc2C1 19133528 ODOBZPJWOJACHK-HXUWFJFHSA-N 380.492 3.122 10 40 GGCB Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)N3CCOCC3)c(O)c12 12322733 YPAUHQBJAGTHKP-UHFFFAOYSA-N 389.864 3.498 10 40 GGCB C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccco3)cc2F)C[C@@H](C)O1 58168527 KSTKFXLQTBTYED-HUUCEWRRSA-N 375.444 3.374 10 40 GGCB CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 7112773 GZJGMEQUNYFMHR-NRFANRHFSA-N 377.444 3.475 10 40 GGCB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCCC2)c1O 7986623 AGQQEMFRZRNFKT-INIZCTEOSA-N 385.489 3.236 10 40 GGCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408548827 LSSDCIGLECDPRF-LICLKQGHSA-N 394.427 3.295 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1766443 NNTUJRWGQQXXRI-ZROIWOOFSA-N 379.459 3.262 10 40 GGCB CC(=O)[C@@H](C)S[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 79001619 QELLUTZSFVQSJA-CHWSQXEVSA-N 381.453 3.500 10 40 GGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235946 SPIBNMHCPQMOKC-VWLVURMCSA-N 375.475 3.408 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1 409377010 DYXRJJJDMMCVGL-QGOAFFKASA-N 380.469 3.479 10 40 GGCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc2c(c1)OCO2 5465378 GCYORLBDQKYYRL-ZROIWOOFSA-N 381.359 3.432 10 40 GGCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5483011 IFDBJPRPEXEBLT-SOFGYWHQSA-N 376.253 3.108 10 40 GGCB COc1cc(OC)c(OC)cc1C[C@@H]1SC(=S)N(Cc2ccco2)C1=O 8107438 ITVSHMGLNHNNOY-INIZCTEOSA-N 393.486 3.277 10 40 GGCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(CN3CCOCC3)C2=O)cc1 12381646 UWBDXUCXIIEXMV-VBKFSLOCSA-N 376.547 3.475 10 40 GGCB CCN1CCc2cc(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)ccc21 5155865 BJMNWATXXWBBRK-AQTBWJFISA-N 375.428 3.044 10 40 GGCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OCC)c2)SC1=S 409350438 YHZVNYCAMQFRLJ-ZROIWOOFSA-N 381.475 3.160 10 40 GGCB COCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112124074 XTGCHOYAGSYZNL-CYVLTUHYSA-N 394.431 3.246 10 40 GGCB CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-] 37246065 DTOKMRPGYNPGPJ-AHDPXTMNSA-N 386.376 3.101 10 40 GGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1C 408994346 YQINBNDIEYJGII-LICLKQGHSA-N 380.469 3.452 10 40 GGCB Cc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C 223598642 CRDDYRCRAUKNSD-ZDUSSCGKSA-N 385.533 3.410 10 40 GGCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccccn1 11640024 VXDBYXIAGRIIQS-SDNWHVSQSA-N 387.461 3.451 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)C1=O 6238464 AOAPJLCUCSHKBA-SSZFMOIBSA-N 379.416 3.245 10 40 GGCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OC(C)C)C(=O)NC2=S)cc1 409009294 CXFSMIMCISJCIE-SFQUDFHCSA-N 396.468 3.314 10 40 GGCB Cc1cccc(-n2c(C)cc(C(=O)N(C)CC(=O)Nc3cc(C)on3)c2C)c1 48324500 QMAXUZVAVZMAMU-UHFFFAOYSA-N 380.448 3.410 10 40 GGCB COc1ccc(N2CCCN(CC3CCN(C(=O)c4ccco4)CC3)CC2)cc1 19556380 GOHQSMVZUKOTLO-UHFFFAOYSA-N 397.519 3.353 10 40 GGCB CC(=O)Nc1ccc(N/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)cc1 103224448 ULBCFZRRYJXTOY-BOPFTXTBSA-N 378.388 3.060 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(CNC(N)=O)cc1 22008596 GDPJCFRMAWOSKD-UHFFFAOYSA-N 380.492 3.117 10 40 GGCB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 725462 CFIXLNNBXLCMLW-FQEVSTJZSA-N 379.460 3.166 10 40 GGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3cccc[n+]3[O-])c2C)cc1 3296180 WDTOIGNDNRFXAC-UHFFFAOYSA-N 396.468 3.489 10 40 GGCB CCc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2C3=O)cc1 12624373 HDEJSPAWXWZKFN-UHFFFAOYSA-N 397.434 3.073 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccccc3)C2=O)cc1 4703287 YLOKOPMBIMXSOX-RGEXLXHISA-N 387.395 3.152 10 40 GGCB Cc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 4711423 CIWQQFQOSCSOKF-UHFFFAOYSA-N 381.501 3.310 10 40 GGCB CC(=O)Oc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1Br 58866199 MMLUABNMNZWAQG-UHFFFAOYSA-N 395.205 3.128 10 40 GGCB Cc1noc(C)c1CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 48356186 GQDSXVFWVNQZHP-ZIAGYGMSSA-N 389.471 3.293 10 40 GGCB C[C@H](NCc1cc(Br)ccc1O)c1ccc(NS(C)(=O)=O)cc1 69350472 MIGGHTIUURAWQB-NSHDSACASA-N 399.310 3.377 10 40 GGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)C1=O 4704544 JKLLIAGXTHPDKP-VKAVYKQESA-N 393.443 3.499 10 40 GGCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1OC 36613159 QPEWAARBZFFAOB-DHDCSXOGSA-N 393.486 3.001 10 40 GGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 631902 VKXNJUNDMSBRMN-WYMLVPIESA-N 399.447 3.240 10 40 GGCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1 408753834 KPHFKARMIRMQIA-WQRHYEAKSA-N 382.441 3.381 10 40 GGCB CCNc1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1 13058396 WCJYOWRILLHSBR-UHFFFAOYSA-N 376.507 3.297 10 40 GGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5371735 ZANWLUDWCBDRLL-JFBXQDQPSA-N 393.486 3.318 10 40 GGCB O[C@@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 2921882 CWKKPPADRMBSBL-LJQANCHMSA-N 377.436 3.459 10 40 GGCB CCOC(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1 18150413 YVWSEBGNKTUTJT-UHFFFAOYSA-N 385.420 3.110 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c1OC(C)C 4783828 HZZSGEUECAUJSQ-FOWTUZBSSA-N 386.448 3.277 10 40 GGCB Cc1nc(S)sc1CC(=O)NCc1ccc(N2CCSCC2)cc1 56934445 HCMDKFSNUXNVCI-UHFFFAOYSA-N 379.576 3.152 10 40 GGCB CN1CCCc2cc(CN3CCc4c(O)nc(-c5ccccn5)nc4C3)ccc21 19589312 SWJXWKBDILMLLD-UHFFFAOYSA-N 387.487 3.185 10 40 GGCB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccccc1 27533869 QBMSEXQVXRTXHM-GXDHUFHOSA-N 380.454 3.109 10 40 GGCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 5032699 FNBYOHSAUKMXLT-SAIXKJTDSA-N 383.360 3.368 10 40 GGCB COc1ccc(N(C)CCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225798868 DXOZICZLQLGHNK-UHFFFAOYSA-N 398.532 3.245 10 40 GGCB COc1ccc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(OC)c1 41077892 UJVHVHDQZAEYCY-RFCLUPQTSA-N 398.469 3.433 10 40 GGCB CCc1ccc(N2NC(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 5719389 ABJXJRJNPFAPBL-DHDCSXOGSA-N 386.835 3.381 10 40 GGCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(C)C3=O)cc21 208250903 BOYCJEBELILSAJ-JLATVTFTSA-N 391.924 3.319 10 40 GGCB CN1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)CC1 20393824 PAVPJJTWKTZFJH-ATVHPVEESA-N 398.444 3.073 10 40 GGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2ccccc2oc1=O 54035367 RRRRIYJVBRADPR-UHFFFAOYSA-N 380.469 3.276 10 40 GGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OC(C)C)c1 408873230 OZNAGLZLGGGACU-GDNBJRDFSA-N 398.390 3.288 10 40 GGCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccn1 11640030 UJESOKFXSZJUBX-ZLRVCTSNSA-N 381.482 3.478 10 40 GGCB CCOc1ccc(N/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 2379946 LCSYFOZCNXRSGP-PDGQHHTCSA-N 379.416 3.281 10 40 GGCB O=C(Cc1cccc(Br)c1)NCc1ccc(N2CCOCC2)cc1 160943857 CAJOIVJCWAOJQA-UHFFFAOYSA-N 389.293 3.145 10 40 GGCB COc1ccc(-c2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 19682137 GHIYDMZSABPASM-UHFFFAOYSA-N 394.471 3.230 10 40 GGCB biogenic O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1[C@H]1CCS(=O)(=O)C1 4859568 AMBRZQPSYCROCH-KNGSKEOJSA-N 389.523 3.228 10 40 GGCB C=CCOc1c(CC=C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 108103058 KWFVXVQQBHDQTA-RGEXLXHISA-N 390.439 3.450 10 40 GGCB O=C1N=C(S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc[nH]1 1269043 UIRMDUUWNQBCBS-WQLSENKSSA-N 376.235 3.020 10 40 GGCB CCOc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 5644942 JELJFQMYTQPNNZ-PDGQHHTCSA-N 379.416 3.281 10 40 GGCB O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C\c1cccnc1 71785146 LUUCYYASGSEUJB-PDGQHHTCSA-N 382.464 3.009 10 40 GGCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 223701171 JKFFCVQWEXGSLF-OAHLLOKOSA-N 389.477 3.310 10 40 GGCB COc1cc([C@H](Nc2ccccn2)c2cc3c(cc2O)OCO3)cc(OC)c1O 3053380 OIDNTCANBLLREE-FQEVSTJZSA-N 396.399 3.440 10 40 GGCB O=C(O)[C@@H]1CCCN1Cc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12 27047059 CUDSZBUCKSGWDD-INIZCTEOSA-N 381.384 3.340 10 40 GGCB biogenic CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 5551942 GXTSQEMRHNAGSR-FNWMBBJUSA-N 380.447 3.439 10 40 GGCB C[C@@H]1[C@@H]2C=C[C@@H]1[C@@H](c1c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc13)[C@H]2C(=O)O 100136664 BSAMRWOMXJWVCE-CBYMNPDSSA-N 394.379 3.251 10 40 GGCB in-vitro Cc1cc(C(=O)Cn2nnc3ccccc32)c(C)n1-c1ccc2c(c1)OCCO2 8710890 SUOFGEZSNXPRLW-UHFFFAOYSA-N 388.427 3.493 10 40 GGCB COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4881513 RYNSFZVUENDLBC-PJIJBLCYSA-N 393.395 3.231 10 40 GGCB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1ccc(F)cc1 8189232 UPSUJHVMWULRNA-UHFFFAOYSA-N 391.406 3.471 10 40 GGCB O=C(Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1ccc(O)cc1 1547139684 XSCDJMVXZUSKRU-UHFFFAOYSA-N 382.375 3.302 10 40 GGCB biogenic CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)cc1 12380169 CUWYDNXVZQVPIL-NVNXTCNLSA-N 387.438 3.435 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cccc(OC(C)C)c3)CC2)c([N+](=O)[O-])c1 107558308 ZOXBTILHUNBGPC-UHFFFAOYSA-N 399.447 3.353 10 40 GGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ncccc1C 100423622 BFWFVRYEGZUXSZ-AQTBWJFISA-N 382.395 3.181 10 40 GGCB CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)NC1=S 6578467 YUEZOPQHUTWSTH-GXDHUFHOSA-N 386.860 3.176 10 40 GGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)cc2C)C1=O 409239423 MQVULHXIZHJFQG-FOWTUZBSSA-N 380.400 3.069 10 40 GGCB CSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])ccc1O)Nc1ccccc1-2 36237470 LZMFSFDDDUGIFG-OAHLLOKOSA-N 383.389 3.377 10 40 GGCB COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC 1071422 LSTBMTGZWQTXPR-OVCLIPMQSA-N 386.835 3.435 10 40 GGCB COC(=O)c1ccc(Oc2c(C)oc3c(CN(C)C)c(O)ccc3c2=O)cc1 20573462 HXMHDPXEDYFYHP-UHFFFAOYSA-N 383.400 3.448 10 40 GGCB biogenic COc1cc(/C=C2\SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)ccc1O 20227036 GCEBAMVHNBRZCS-PXNMLYILSA-N 384.413 3.490 10 40 GGCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5374076 CRLWIEVYWZVPJE-WGQGCQLISA-N 393.486 3.174 10 40 GGCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)c(O)c1 5393276 ASROXCYPTUOGDK-BOPFTXTBSA-N 385.851 3.353 10 40 GGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2)SC1=S 5374786 SYMSGJXJKYIPJD-OQLLNIDSSA-N 398.465 3.468 10 40 GGCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(O)cc1 1069949 YNGKDPLQOXRAQT-RIYZIHGNSA-N 376.290 3.077 10 40 GGCB Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 107592396 RTMMVSDMMIVGOQ-SFQUDFHCSA-N 375.384 3.041 10 40 GGCB O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1cccnc1 4942281 AERWNGRBHRGSSU-NVNXTCNLSA-N 380.454 3.109 10 40 GGCB Cc1cc(C(=O)N2CCCN(C(N)=O)CC2)c(C)n1-c1ccc(C(C)C)cc1 72079474 WPMGRTAYFCINCG-UHFFFAOYSA-N 382.508 3.444 10 40 GGCB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(O)c4)c3C)C(=O)N=C2S1 33531608 BQEJSOXNYLUUDN-LETSCSTASA-N 379.445 3.439 10 40 GGCB CCc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2c(C)noc2n1 19714500 FHJNVXXTYXKSHR-CQSZACIVSA-N 394.475 3.421 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(C)nc4c3cnn4C(C)C)CC2)cc1 36366647 ISERYSXRSPTGAF-UHFFFAOYSA-N 393.491 3.292 10 40 GGCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3C(C)C)CC2)cc1 35289881 WQZILHHWIRUVGI-OAQYLSRUSA-N 392.507 3.174 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1907766 REUHKSYQHSLMLQ-RAXLEYEMSA-N 380.447 3.441 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)SC1=S 17748184 HMQQUIKHRDIYEV-LCYFTJDESA-N 396.446 3.147 10 40 GGCB COc1ccc(N2CCN(C(=O)CN(C)Cc3ccc(Cl)s3)CC2)cc1 7278467 LKZICOVZCQXFDY-UHFFFAOYSA-N 393.940 3.191 10 40 GGCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409074413 ZHESUIGUTSTIAQ-FSEGOYHTSA-N 399.472 3.395 10 40 GGCB COc1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)c(OC)c1 16215416 XWBGFNWMTDHCOF-YBEGLDIGSA-N 378.519 3.348 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)N3CCOCC3)ccc21 22733428 DGWIKSQTLGASJB-NRFANRHFSA-N 399.922 3.136 10 40 GGCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c(C)c1 5545035 LAEFUTMJWLJOOO-UHFFFAOYSA-N 376.463 3.079 10 40 GGCB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1cccc(F)c1 5280524 FVYVEVJMAQKLFD-UHFFFAOYSA-N 391.406 3.471 10 40 GGCB Cc1ccc(C)c(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c1 14197696 DKGGRMRXSMPEQQ-LGMDPLHJSA-N 376.547 3.227 10 40 GGCB CCOc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)c([N+](=O)[O-])c1 5025764 CZXNDRNPVZAISR-UHFFFAOYSA-N 387.373 3.008 10 40 GGCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 13632167 AWYXTHGTPFGZBG-UHFFFAOYSA-N 389.477 3.372 10 40 GGCB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 862487 KCQZAIYYDAKNPB-LJQANCHMSA-N 380.448 3.028 10 40 GGCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)OCO3)C1=O 409208473 CKYVXRBMPWSTMT-AWNIVKPZSA-N 384.775 3.044 10 40 GGCB CCCC1=NN2C(=N)/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)N=C2S1 4855861 KBKBDBKBCMVDHW-AXKTVDRXSA-N 388.449 3.132 10 40 GGCB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\C1=CC=C[C@H]1c1ccc([N+](=O)[O-])cc1 6242440 ILCQSAGVHSTMCM-IZILLXMLSA-N 391.358 3.318 10 40 GGCB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC 1279413 KTFYHNZFXSDSOV-UHFFFAOYSA-N 385.445 3.360 10 40 GGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(F)cc1 13894065 PHUKAJCUPGNXJY-AQTBWJFISA-N 391.427 3.448 10 40 GGCB COc1ccc(CN2C[C@@H]3CN(Cc4ccccc4O)CCN3C(C)(C)C2)cc1 253400525 LHUWQALULPRBPW-NRFANRHFSA-N 395.547 3.181 10 40 GGCB biogenic,in-vitro COc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963202 UZAZRNIBXYQQRG-QHCPKHFHSA-N 393.531 3.183 10 40 GGCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1[C@H](C)C(=O)O 107745776 JKGCNWVUFLRCKO-IIMQCXAKSA-N 389.411 3.057 10 40 GGCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)NC2CC2)c1C 4500178 HHTSQDHPWLYUMH-UHFFFAOYSA-N 376.840 3.192 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COCC[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 104492543 KTLXAERMSRLXKX-VMBXEPDQSA-N 388.552 3.021 10 40 GGCB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCCc2c(C(=O)NC(C)C)cccc21 11076934 AGESINDNLMLPJT-VAWYXSNFSA-N 380.492 3.168 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 408802145 XBEKDPQOQCCOBJ-RIYZIHGNSA-N 386.791 3.024 10 40 GGCB Cc1ccccc1CSCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 216928452 GEMVDCPMNBTWEC-UHFFFAOYSA-N 383.561 3.296 10 40 GGCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 13483290 ZYHGDHUDDMHYAE-LCYFTJDESA-N 377.878 3.225 10 40 GGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 2236639 YFRDTLCUPHRUGB-JXAWBTAJSA-N 392.459 3.420 10 40 GGCB Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)s1 16754937 PNOFSILIDNSXLV-DHZHZOJOSA-N 394.503 3.060 10 40 GGCB COCCOC(=O)[C@H](C)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1792254 HLMPJGISJRECQK-AVMBBCFPSA-N 385.894 3.119 10 40 GGCB Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12523983 DYGLYJSNAZJJCB-VHEBQXMUSA-N 389.368 3.018 10 40 GGCB Cc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)c(C)n1-c1ccccn1 84081366 RZIGISUTIPUMIZ-UHFFFAOYSA-N 395.434 3.467 10 40 GGCB CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-] 257347312 DTOKMRPGYNPGPJ-QRTUWBSPSA-N 386.376 3.101 10 40 GGCB CC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc(OC)cc2)CC1 57669469 BOQCXHVGULPCPC-FQEVSTJZSA-N 384.528 3.460 10 40 GGCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2)C(=O)N1 408898551 WTMZPICSBYKCFH-UHFFFAOYSA-N 391.210 3.322 10 40 GGCB C/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 4999674 VCUKLXAVKUDTSG-HKWRFOASSA-N 389.434 3.406 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)c3c[nH]c4cc(OC)ccc34)CC2)cc1 19556546 UTUCAMAXYZNZSB-QFIPXVFZSA-N 381.476 3.041 10 40 GGCB CCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 12533478 HYUPMDUCMQFVRD-UHFFFAOYSA-N 399.447 3.102 10 40 GGCB COC(=O)CSc1sc(C(=O)OC)c(O)c1NC(=O)c1ccc(C)cc1 41155007 NPUTZSIYGDMKFO-UHFFFAOYSA-N 395.458 3.066 10 40 GGCB O=C(O)Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 4291572 OULXFFWYPPVYRW-NXVVXOECSA-N 396.449 3.042 10 40 GGCB Cc1cc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccccc1F 43506696 WIVLRYHYRNGGFC-UHFFFAOYSA-N 383.467 3.364 10 40 GGCB COc1cc(N2CCCCC2)ccc1CN1CC[C@@H](c2cc(=O)[nH]c(C)n2)C1 19285250 FTKDKMGOJRFVQS-QGZVFWFLSA-N 382.508 3.067 10 40 GGCB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccc2c(c1)OCCO2 2634510 CYIGIVBXYKORPI-UHFFFAOYSA-N 396.468 3.474 10 40 GGCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(=O)O)cc3)C2=O)cc1 2257529 JLAKMSKCHPQDON-GZTJUZNOSA-N 378.384 3.175 10 40 GGCB Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)NCc1ccccc1 19794005 WRWYAHXRPFNCSF-UHFFFAOYSA-N 380.444 3.209 10 40 GGCB CCOC(=O)c1c(NC=C2C(=O)OC(C)(C)OC2=O)sc2c1CC[C@H](C)C2 23127159 HKCPOKQAHUMLKI-JTQLQIEISA-N 393.461 3.182 10 40 GGCB O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1ccc(F)cc1 16928356 KQYZCEWSFHZLAL-RZNTYIFUSA-N 386.360 3.305 10 40 GGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccccc1 17077920 CTZZJNZISXAWDL-ZHZULCJRSA-N 381.407 3.155 10 40 GGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5372316 FNZIJXYRYZUAMW-DKTFCQPKSA-N 379.459 3.116 10 40 GGCB Cc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c(C)n1-c1ccccc1 7706326 ACBIABVJMRPUOO-UHFFFAOYSA-N 397.456 3.050 10 40 GGCB CC(=O)Nc1ccc(N/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc1 103110058 MQDHOCZGRHALLW-LFIBNONCSA-N 378.388 3.373 10 40 GGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1 6456216 RXNCRHOIZOOTDN-RGEXLXHISA-N 375.428 3.262 10 40 GGCB COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1O 27549201 AEVSFQLHTSTZEL-PBGDOYKQSA-N 392.440 3.377 10 40 GGCB O=C(O)CN1C(=O)/C(=C/c2ccc(N3CCCCCC3)cc2)SC1=S 33983903 MSUJNKAWICLLCP-PTNGSMBKSA-N 376.503 3.353 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccco3)cc2F)C[C@@H](C)O1 58168523 KSTKFXLQTBTYED-GASCZTMLSA-N 375.444 3.374 10 40 GGCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 13943062 PIMVOVVGFMCADF-NTEUORMPSA-N 387.892 3.312 10 40 GGCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(OCC)cc3)S2)CC1 4587938 VNZWZRCGEVJMOH-LGMDPLHJSA-N 388.489 3.331 10 40 GGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OC(C)C 408816184 STIUTZPYNSBIER-LFIBNONCSA-N 380.400 3.149 10 40 GGCB CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)NC1=S 409392848 SMBNHHOULCJCOY-GXDHUFHOSA-N 393.390 3.143 10 40 GGCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 58884012 RMBDMWILENSQIU-WQRHYEAKSA-N 394.383 3.481 10 40 GGCB COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)C(C)C)CC2)cc1 57669612 KTUZEYVVCYLITL-HXUWFJFHSA-N 384.528 3.316 10 40 GGCB CCN(CC)c1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)cc1 24187713 YSFRFBDLWVJYEL-UHFFFAOYSA-N 389.521 3.177 10 40 GGCB CCOc1cc(/C=C2/C(=O)N(CCc3ccc(F)cc3)C(=O)N=C2O)ccc1O 2281574 SFQOBGJTPXPJNS-LFIBNONCSA-N 398.390 3.475 10 40 GGCB COc1ccc2c(c1)[C@H](N1CCN(CCCO)CC1)Cc1ccccc1S2 22041525 QLLPMKXGTXHYPG-HXUWFJFHSA-N 384.545 3.444 10 40 GGCB CC[C@H](C)NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 6460328 HGCUGOPZFNHHGU-NSHDSACASA-N 399.830 3.187 10 40 GGCB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3O)n2)cn1 35425442 JURYGUBYJURYAK-KRWDZBQOSA-N 396.447 3.200 10 40 GGCB biogenic,in-vitro Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963394 PBPANHYPCKKJEI-HSZRJFAPSA-N 393.531 3.319 10 40 GGCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)o1 409132207 WYLOKDJTUGPJDM-VGOFMYFVSA-N 387.369 3.074 10 40 GGCB Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)C(=O)NC2=S)c(C)c1 4742327 XKQDOIQDCINBHT-JYRVWZFOSA-N 386.860 3.494 10 40 GGCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Cl 408782183 WOCFRMSGSZHFJL-LCYFTJDESA-N 386.860 3.488 10 40 GGCB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217025813 UTNBKHOQURBTOW-NRFANRHFSA-N 381.520 3.221 10 40 GGCB COc1ccc(N2CCN(CCCNC(=O)c3ccc(C)c(C)c3)CC2)cc1 11853439 UOIOBHWXLCWBBB-UHFFFAOYSA-N 381.520 3.254 10 40 GGCB COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963322 BJDOKFXMOYMSSM-NRFANRHFSA-N 379.504 3.254 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](C)C2 100642956 FJSHFAUKEQNYEU-SHTIJGAHSA-N 389.473 3.121 10 40 GGCB Cc1ccc2oc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 10907378 FTCDQXXEHYGSNH-UHFFFAOYSA-N 392.455 3.210 10 40 GGCB CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 409229533 QQQUFMFJHJHBCU-KAMYIIQDSA-N 385.876 3.237 10 40 GGCB C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)cc1 225838218 IONOGPUYUKQYNI-AWEZNQCLSA-N 385.489 3.300 10 40 GGCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(=O)c1cccs1 20921917 PGZFXCNTFHSFCZ-JYRVWZFOSA-N 377.468 3.465 10 40 GGCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(C)C(=S)N=C3O)o2)cc1 6942708 XXJCRJIRIPIFAY-GXDHUFHOSA-N 384.413 3.220 10 40 GGCB COc1cc(C2=NN(C(=O)CN3CCCC3)[C@H](c3cccs3)C2)ccc1O 95946114 WSZNKKHLAGTINK-INIZCTEOSA-N 385.489 3.236 10 40 GGCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3ccc(O)nc3)cc2)s1 18323891 MGLZJGJFDDERIS-ISLYRVAYSA-N 376.423 3.163 10 40 GGCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 2451187 ACHOJERKJSGSAZ-GDNBJRDFSA-N 398.465 3.225 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1C 4724064 ZTWSZTHDCJDXFX-GZTJUZNOSA-N 380.469 3.452 10 40 GGCB CN1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 1201037 WLJQVVSGBZEBHJ-MHWRWJLKSA-N 393.830 3.435 10 40 GGCB COc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 6747934 ZQACLLWEECUATH-FQEVSTJZSA-N 398.503 3.348 10 40 GGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1O 409339692 KRGYFZIZOHHFKE-MDWZMJQESA-N 392.483 3.009 10 40 GGCB Cc1csc2c(=O)n3c(nc12)CCN(Cc1cc(Cl)ccc1O)CC3 19240301 OCISJWJFPDCIKJ-UHFFFAOYSA-N 375.881 3.184 10 40 GGCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 12363644 OIZYEAKVFLZPHC-QINSGFPZSA-N 383.473 3.266 10 40 GGCB CN(C)c1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 2280385 MBXCUBQKCSFVAP-NXVVXOECSA-N 381.482 3.481 10 40 GGCB CCCN1C(=O)/C(=C\c2cccc(OCC)c2OCC(=O)O)SC1=S 4739755 FVOLHOICKXOGDB-UKTHLTGXSA-N 381.475 3.160 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(OC)c4)[nH]n3)CC2)cc1 15680550 CTHWXEMYQKHSIS-UHFFFAOYSA-N 392.459 3.056 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1C 409148846 SQFOTQYLJIGFHZ-LFIBNONCSA-N 380.469 3.452 10 40 GGCB COC(=O)c1ccc(NC(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 1325664 GSOHZZHXSDUOIP-UHFFFAOYSA-N 385.489 3.001 10 40 GGCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NC[C@@H]2CCCO2)cc1 112122979 SVHZGEPCEDNBFA-CVVHJZTLSA-N 391.471 3.489 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3S)cc2F)C[C@H](C)O1 57375220 ZJDFHNGYABYHCS-STQMWFEESA-N 375.469 3.053 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(Cc2ccccc2)no1 48236888 UFZANZGAUNREKL-UHFFFAOYSA-N 378.476 3.129 10 40 GGCB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccc2c(c1)OCO2 4507770 GQOONIJYUDLXAQ-UHFFFAOYSA-N 388.474 3.232 10 40 GGCB CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665420 GAKUOAVLAGLWFV-QHCPKHFHSA-N 394.563 3.388 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 12959257 MRYNKOURVBSVEQ-NWFCWYBLSA-N 385.445 3.087 10 40 GGCB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 2640391 COKGTUKELYGCKF-HNNXBMFYSA-N 381.428 3.070 10 40 GGCB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 7146479 NRRAGFIDRXGGFP-UHFFFAOYSA-N 388.411 3.472 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OCC 408911500 NPZMCBBMZODOMX-MHWRWJLKSA-N 398.390 3.290 10 40 GGCB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217023871 URPHGEZDCKHJTE-GOSISDBHSA-N 381.520 3.085 10 40 GGCB Cc1nc(=O)n(CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1C 19716191 RZOUBSGDGXRPOF-QGZVFWFLSA-N 382.508 3.036 10 40 GGCB Cc1c(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)c(=O)n(-c2ccccc2)n1C 5552774 FOKRRONFSDYLJC-PTNGSMBKSA-N 396.497 3.218 10 40 GGCB CN1CCN(c2ccc(NC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)CC1 40104070 YPHDYKGHPSCQNG-UHFFFAOYSA-N 381.524 3.168 10 40 GGCB CN1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)CC1 20439791 SEUIEHXMIMPYRZ-ATVHPVEESA-N 398.444 3.073 10 40 GGCB Cc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 6792856 XAQOCTNEJBCXSN-CPNJWEJPSA-N 393.443 3.240 10 40 GGCB O=C1NC(=S)S/C1=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408724483 LCQFNRNMAXQJIE-NTEUORMPSA-N 386.410 3.303 10 40 GGCB COC(=O)/C=C/c1ccc(N2CCCC[C@H]2C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 79076488 PLPGZORWLYNBQF-SOGBHIHOSA-N 389.452 3.055 10 40 GGCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1 5848346 HAPYROIOHCIAAV-XDHOZWIPSA-N 389.411 3.349 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC 408810570 MIEOHTDXZIQQBH-LFIBNONCSA-N 394.427 3.377 10 40 GGCB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 257310234 UEGXDRXIPCPPGT-LJQANCHMSA-N 395.551 3.481 10 40 GGCB CN1CCN([C@H](CNC(=O)Nc2ccc(F)cc2)c2ccc(N(C)C)cc2)CC1 22418574 ILIHLLMHUMGBRG-OAQYLSRUSA-N 399.514 3.002 10 40 GGCB Cc1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)c(C)n1-c1ccccn1 32809683 ALWUEYXIQJNCLA-UHFFFAOYSA-N 386.459 3.059 10 40 GGCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 26532489 QSBMHBTZSCHOLR-RAXLEYEMSA-N 385.532 3.073 10 40 GGCB CCOC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 35544388 WCGJUCKQVCBASK-UHFFFAOYSA-N 387.455 3.190 10 40 GGCB COC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)SC3 13774445 PVFHOMZENHPBKI-UHFFFAOYSA-N 393.534 3.070 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OC 1192593 FQBGHNNGFHHLMU-GXDHUFHOSA-N 386.791 3.024 10 40 GGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5372314 FNZIJXYRYZUAMW-ODYDIQAQSA-N 379.459 3.116 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1[nH]nc(C2CC2)c1Br 58419612 LLNPOIAYLVTXLU-UHFFFAOYSA-N 377.286 3.388 10 40 GGCB CCn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 4091825 KOMJZWCFJOJZII-LICLKQGHSA-N 377.375 3.467 10 40 GGCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1CSc1nccn1C 13640508 VNHACURKYWMYKE-JYRVWZFOSA-N 377.516 3.210 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C[C@H](C)O4)C2=O)cc1 408710950 ZRLKXZXEDPXKKH-HTMJNSLASA-N 392.411 3.075 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1OC(C)C 409016473 CRKJHYYDGJSYPZ-FOWTUZBSSA-N 380.400 3.149 10 40 GGCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c1 409342330 BOZIFIOSSLPGAB-UKTHLTGXSA-N 376.484 3.303 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 26417134 CPVUDCGYWXAYPC-WIYYLYMNSA-N 387.549 3.089 10 40 GGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 4704529 QIEMEJQRIVMKLC-OWBHPGMISA-N 383.379 3.075 10 40 GGCB O=C1N=C(S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCC2)o1 9164681 PIDPOJBPHCZFAY-QBFSEMIESA-N 385.420 3.262 10 40 GGCB CCOc1ccc(N2C[C@](O)(c3ccc(OC)cc3)[N+]3=C2SCCC3)cc1 2965969 GKTUKNYCTCIESK-NRFANRHFSA-N 385.509 3.265 10 40 GGCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCCCC1 44085859 QRYOXAAFPQPTBX-UHFFFAOYSA-N 389.521 3.310 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(Cl)ccc4o3)CC2)cc1 5345710 PVIVMKRJGYBQDI-UHFFFAOYSA-N 398.846 3.417 10 40 GGCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c1 409170639 WTIWQSDPKWDNGR-CXUHLZMHSA-N 384.413 3.081 10 40 GGCB OCCN1CCN([C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)CC1 19680933 QTFOYBLNHQVZBF-NRFANRHFSA-N 397.906 3.293 10 40 GGCB O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C\c1cccc(O)c1 8843563 SWMDYGXCPFATRP-UYRXBGFRSA-N 397.475 3.319 10 40 GGCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 52636417 GBWSXVLFJRFMMX-KRWDZBQOSA-N 379.504 3.333 10 40 GGCB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)ccc21 108957417 BMACHYCDQGATCD-SXGWCWSVSA-N 399.472 3.422 10 40 GGCB Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 408868214 NASBRAXYWYPSCQ-UHFFFAOYSA-N 386.860 3.142 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(F)c1 408528083 CIKHDZMFSIJDAY-PDGQHHTCSA-N 395.386 3.490 10 40 GGCB CC1=NN2C(=N)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 41108066 YIYVONRUBJMDQN-ZFRJSZHUSA-N 380.389 3.025 10 40 GGCB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 18847068 XHTAAYHQCLFJHY-HKBOAZHASA-N 393.487 3.399 10 40 GGCB O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCOCC2)cc1 54285026 MCLYCPAAIRJHIY-UHFFFAOYSA-N 376.456 3.372 10 40 GGCB CCOC(=O)N1CCC(NC(=O)c2cc(C)n(-c3cccc(OC)c3)c2C)CC1 36393591 ARSVIELXJBHKKD-UHFFFAOYSA-N 399.491 3.453 10 40 GGCB C[C@H]1[C@H](C)CCCN1S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O 245298113 WYBUOSWWGOFHSB-KGLIPLIRSA-N 383.469 3.271 10 40 GGCB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 981434 LTSWVLCYKIBKKI-YBEGLDIGSA-N 399.472 3.397 10 40 GGCB O=C(O)CN1C(=O)/C(=C\c2cc(Cc3ccccc3)ccc2O)SC1=S 5194085 OCFMBGOWTLHACZ-MHWRWJLKSA-N 385.466 3.269 10 40 GGCB CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N(C)C1=O 1036513 LHKBNRFRBRSLAN-UHFFFAOYSA-N 392.440 3.035 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)COc3ccccc3F)N3CCCC3)ccc21 8963396 DDGIYVRGFJBZFR-NRFANRHFSA-N 397.494 3.150 10 40 GGCB CCN(CC)C(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 975279 LNODCCFMEIWFRE-QINSGFPZSA-N 378.519 3.155 10 40 GGCB Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nc(N)cc(=O)[nH]3)c2C)c1 13113342 WLMCCWUYPAXSNJ-UHFFFAOYSA-N 382.489 3.351 10 40 GGCB CCc1ccc(N2C[C@H](C(=O)N3CCOc4cc(N(C)C)ccc43)CC2=O)cc1 72303731 OHDDZBGHWCLHEB-QGZVFWFLSA-N 393.487 3.094 10 40 GGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C[C@H](C)O[C@@H](C)C3)c2C)cc1 19902569 FGTGMUKXNIQSMR-HOTGVXAUSA-N 384.476 3.173 10 40 GGCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1n1cnnn1 257173643 TZCNTIMEARETHM-NTUHNPAUSA-N 389.849 3.124 10 40 GGCB CC(=O)N(c1nc(/C=C2\SC(=S)NC2=O)cs1)c1ccccc1F 12873320 VTHUBWGHJNBWLD-SDQBBNPISA-N 379.463 3.456 10 40 GGCB CC(C)(C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33525722 DGJPFACQGMTQCQ-VBKFSLOCSA-N 381.388 3.234 10 40 GGCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1C(C)C 1168327 FWSPPISSUJBEJR-LICLKQGHSA-N 382.416 3.382 10 40 GGCB COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(F)cc2)C1=O 1248536 FUNYLXZPVPBDDD-XNTDXEJSSA-N 388.445 3.381 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccccc3N(C)C(=O)C3CC3)CC2)cc1 40143634 JNPRUTJOIAPUJW-UHFFFAOYSA-N 393.487 3.030 10 40 GGCB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccco2)cc1 12559037 IRHCZUWBHWAROW-QNGOZBTKSA-N 389.455 3.433 10 40 GGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O 409251367 PRZSXWFXIKKJTM-LDADJPATSA-N 395.459 3.492 10 40 GGCB COc1cc(OC)c(C=C2C(=O)OC3(CCCC3)OC2=O)cc1Br 4501877 PATHEDZKIJEJPR-UHFFFAOYSA-N 397.221 3.220 10 40 GGCB CCN1CCC[C@@H]1CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1 19527129 LICWHZOUTHJVLI-XMMPIXPASA-N 394.563 3.405 10 40 GGCB Cc1nnc2n1N1C(=CS[C@@H]1c1ccc(N3CCCC3)c([N+](=O)[O-])c1)S2 20427326 GSNYWGPJXWTBOM-OAHLLOKOSA-N 388.478 3.383 10 40 GGCB CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416554 PZPCTPIELUBOIX-AWEZNQCLSA-N 389.858 3.214 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1 409245503 UTYOJCBBQBPUGW-DTQAZKPQSA-N 380.400 3.150 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc4cccc(Cl)c4oc3=O)CC2)cc1 226040460 XCXBWBAWTCVMEH-UHFFFAOYSA-N 398.846 3.417 10 40 GGCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2[C@H](C)CC1(C)C 260567934 MYOOVAQZCDTARJ-BVTUPMQUSA-N 385.533 3.444 10 40 GGCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CCCN1CCOCC1 31768819 NPFPDDWKYGNTAV-NTCAYCPXSA-N 382.938 3.264 10 40 GGCB O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2ccc(O)c(O)c2o1 54219979 IXFSHHDRVOOJGA-UHFFFAOYSA-N 386.835 3.180 10 40 GGCB biogenic COC(=O)c1cccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)c1 58865857 UIKNXAFTCSPPGE-UHFFFAOYSA-N 382.368 3.487 10 40 GGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)c(C)n1-c1ccc(F)cc1 17207633 KBHHCBIWDVQXFR-BOPFTXTBSA-N 383.423 3.494 10 40 GGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3)C2=O)cc1 408901301 WZLYIEISXGPGRI-AQTBWJFISA-N 380.400 3.150 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 1197244 XALPCORFOFHFMD-CPNJWEJPSA-N 393.443 3.208 10 40 GGCB CCN(CC)CCN(C(=O)C(C)C)C1CCN(c2ccc(OC)cc2)CC1 57744311 WKRHXNCINSNFAL-UHFFFAOYSA-N 375.557 3.490 10 40 GGCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1 48374277 KHCJSSAYGMAUAX-WNZYQOIOSA-N 395.547 3.221 10 40 GGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3nc4ccc(C)cc4s3)C2=O)c1 4838025 JJKCIGHVILEZHD-UVTDQMKNSA-N 392.440 3.492 10 40 GGCB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 217024693 LVJKOALWDPZCOX-HXUWFJFHSA-N 395.547 3.447 10 40 GGCB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(N2CCOCC2)cc1 113960121 UFQMUVOFAWKHNQ-IBGZPJMESA-N 384.476 3.006 10 40 GGCB Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=O)NC2=O)cc1 408800003 MPLITAWUAHFHPF-UHFFFAOYSA-N 386.407 3.477 10 40 GGCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)SC1=S 409210674 LYGJUVSRGKTXDI-YBEGLDIGSA-N 384.482 3.265 10 40 GGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(Br)ccc1O 6348215 VAPZADRQVDSCEG-ZSOIEALJSA-N 394.265 3.483 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)Cc3ccc(F)cc3)N3CCCC3)ccc21 8963284 DNTAZZXOZYRWIX-QFIPXVFZSA-N 381.495 3.314 10 40 GGCB CC(C)CN1C(=O)/C(=C/N2CCN(Cc3ccccc3)CC2)SC1=S 32051834 VOMKDWIZDKJMHI-VKAVYKQESA-N 375.563 3.162 10 40 GGCB CCN1c2cc(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2C(C)=CC1(C)C 113821184 JKBVLVNKEDBFIY-UHFFFAOYSA-N 381.476 3.451 10 40 GGCB O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3ccco3)SC2=S)c1 5371013 ZVZZYFGSBSZEIX-KPKJPENVSA-N 375.383 3.082 10 40 GGCB CN1C(=O)/C(=C/c2ccc(C(=O)N(CCO)c3ccccc3)cc2)SC1=S 4745901 FGACNJYILRCGGC-LGMDPLHJSA-N 398.509 3.157 10 40 GGCB CCCc1ccc(C[C@]23O[C@@]2(C(=O)OCC)C(=O)c2ccccc2C3=O)cc1 5313646 PJSDXXBKHGOAJG-DHIUTWEWSA-N 378.424 3.332 10 40 GGCB CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(C(C)=O)CC3)c2C)c1 36395147 GCEOQWYQZOSIOQ-UHFFFAOYSA-N 385.533 3.163 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 408960763 IQPIDOHNFGPAHX-MDWZMJQESA-N 385.763 3.223 10 40 GGCB COc1ccc(OC)c(N2C[C@](O)(c3ccc(C)cc3C)[N+]3=C2SCCC3)c1 2965894 JCNJXQKSLBWDKU-QFIPXVFZSA-N 399.536 3.491 10 40 GGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 6884333 DMUHWYNAULHCNL-DAGBOUIGSA-N 390.280 3.353 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408767831 PKWQHORQOVQXGJ-LFIBNONCSA-N 380.400 3.069 10 40 GGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CCCC1 4999640 XEHRQAMCQYCTRL-PDGQHHTCSA-N 398.488 3.368 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(=O)O)cc3)C2=O)cc1Cl 408990383 XHNVEPDCQCOYEC-ZSOIEALJSA-N 384.775 3.013 10 40 GGCB CC[C@H](C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 7650770 LUIOPVDGWLNXFO-NRFANRHFSA-N 396.487 3.081 10 40 GGCB COc1ccc(N2CCN(C(=O)Cc3cccc(Br)c3)CC2)cc1 225613871 XKNOGZUWQFUYSY-UHFFFAOYSA-N 389.293 3.349 10 40 GGCB COc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(=O)NC2=S)cc1 19824463 YGSQWOPGDZUSQA-YBEGLDIGSA-N 377.425 3.008 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2cccs2)on1 58407167 BUVMUQSZVBDRIE-UHFFFAOYSA-N 387.436 3.309 10 40 GGCB CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-] 37246066 DTOKMRPGYNPGPJ-LXFSFDBISA-N 386.376 3.101 10 40 GGCB CCN(CC)c1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 254908094 NNPXPEWIZOSBHR-UHFFFAOYSA-N 394.475 3.351 10 40 GGCB Cc1noc(NS(=O)(=O)c2ccc(/N=N/c3cnc(O)c(O)c3)cc2)c1C 16951629 XGKIWRUJQWLFSH-VHEBQXMUSA-N 389.393 3.314 10 40 GGCB O=C1/C(=C\NN2CCCCC2)C(O)=NC(=S)N1c1cccc(C(F)(F)F)c1 17180050 YTPNTNLVKKZNQN-RAXLEYEMSA-N 398.410 3.168 10 40 GGCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 107656196 MGNKWOOSKLAZAP-BVTUPMQUSA-N 398.415 3.128 10 40 GGCB CCc1cc2c(=O)c(-c3nncn3-c3ccccc3)coc2c(CN(C)C)c1O 10037806 BMDCSRQGMLNDDS-UHFFFAOYSA-N 390.443 3.370 10 40 GGCB O=C(Nc1ccccc1)c1cnn2c(O)cc(CSc3ccccn3)nc12 19372992 BYCORNTWZRYTLX-UHFFFAOYSA-N 377.429 3.375 10 40 GGCB O=C1N=C(O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N1 8741350 SONZVBKGUWXMBU-UHFFFAOYSA-N 381.819 3.492 10 40 GGCB COCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)N(c2ccccc2)C1=O 409012455 KEPQMUDABYEHJY-AQTBWJFISA-N 389.411 3.193 10 40 GGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 408739470 CDAPZYDRFUDHTO-NTEUORMPSA-N 385.763 3.223 10 40 GGCB CN1CCCc2cc([C@H](CNC(=O)c3cccc(F)c3)N3CCOCC3)ccc21 13008321 RDPMCBIZPBAJCN-QFIPXVFZSA-N 397.494 3.011 10 40 GGCB CCN(CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(OC)c1O 9260788 LURJRUSBPVZVKQ-INIZCTEOSA-N 387.505 3.482 10 40 GGCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1O 409082430 SIMURZNVBRSZDL-BNDQCTAISA-N 385.894 3.434 10 40 GGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1O 408892466 BSJYLXHVLPBGBF-NTUHNPAUSA-N 386.791 3.029 10 40 GGCB Cc1ccc2c(c1)N(CCCS(=O)(=O)O)/C(=C/c1cccc[n+]1C)S2 5015034 XMNFNUXAXACDPY-UHFFFAOYSA-O 377.511 3.008 10 40 GGCB Cc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)o1 12602905 DAYZATPKMFBXQU-QPEQYQDCSA-N 389.410 3.390 10 40 GGCB COc1ccc(OC)c(N2C[C@@](O)(c3ccc(C)cc3C)[N+]3=C2SCCC3)c1 2965895 JCNJXQKSLBWDKU-JOCHJYFZSA-N 399.536 3.491 10 40 GGCB CCOc1cc2c(cc1NS(=O)(=O)c1cccc3nsnc13)O[C@@H](C)C2 19098199 QHZKIARBTGSGOE-JTQLQIEISA-N 391.474 3.214 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1 15680555 WWPHPSXAFUJWJH-UHFFFAOYSA-N 380.423 3.187 10 40 GGCB CCN(CC)Cc1nc(C2(O)CCN(Cc3ccccc3O)CC2)cs1 225463166 GWAFZXZIRNQUSS-UHFFFAOYSA-N 375.538 3.174 10 40 GGCB biogenic,in-vitro CCN(CC)c1ccc(OC)c(/C=c2\sc3nc4ccccc4n3c2=O)c1 12411674 WANDOPWOLNWMBM-UYRXBGFRSA-N 379.485 3.312 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408913923 WBWIYCMCTWXBCY-LDADJPATSA-N 381.407 3.338 10 40 GGCB COc1ccc(N2CCN(C(=O)c3snnc3-c3ccccc3)CC2)cc1 36366171 KCIQAYCQZQIOQN-UHFFFAOYSA-N 380.473 3.176 10 40 GGCB COc1ccc(N2CCN(C(=O)c3snnc3-c3ccc(C)cc3)CC2)cc1 225775806 XQIAJSZMIAQEGW-UHFFFAOYSA-N 394.500 3.485 10 40 GGCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O 409233125 QOTQGYXFWLRSHN-NTEUORMPSA-N 386.860 3.488 10 40 GGCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)cc3)C2=O)cc1 408900101 RMGGMDQQKBKXLT-AQTBWJFISA-N 380.400 3.238 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S)c1ccncc1 54361083 PZLWLFZCQRPENE-WJDWOHSUSA-N 392.465 3.176 10 40 GGCB O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc(O)c(O)c1 9495900 JMXKIYPMGAPZFH-UHFFFAOYSA-N 378.413 3.202 10 40 GGCB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(N(C)C)cc3)n2)cc1 15674684 RIUNVLISWKUCIS-QUCCMNQESA-N 394.475 3.119 10 40 GGCB biogenic,in-vitro COC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)o2)c1 5390178 FKAXFORTBAWOCS-HWCWCTJWSA-N 377.356 3.184 10 40 GGCB Cc1cccc(-n2c(C)cc(C(=O)NCc3cccc(OCC(N)=O)c3)c2C)c1 174510380 YYDLIBVFBWVYNC-UHFFFAOYSA-N 391.471 3.197 10 40 GGCB CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)OCO4)C(=O)NC2=S)cc1 409378791 RXRLQAAPAZXELJ-CXUHLZMHSA-N 394.452 3.117 10 40 GGCB COCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1nnc(C)s1 44085851 FSVZYWWRWVLELH-UHFFFAOYSA-N 389.506 3.087 10 40 GGCB COCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 2642517 NFWAJYSOJNUMGW-UHFFFAOYSA-N 380.238 3.229 10 40 GGCB Cc1c(CC(=O)N[C@H]2CCCc3ccccc32)c(=O)oc2c(O)c(O)ccc12 6660350 MEZYUQNIJOEPSS-KRWDZBQOSA-N 379.412 3.249 10 40 GGCB CC(=O)c1c[nH]c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 54017808 MZLBVPDLMFEFDJ-UHFFFAOYSA-N 395.381 3.003 10 40 GGCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 409022168 HJYVKXZLQJJYRZ-WUXMJOGZSA-N 376.796 3.016 10 40 GGCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1Cl 409001290 OWSHWOZZTXBHOY-UHFFFAOYSA-N 378.215 3.150 10 40 GGCB Oc1ccc(Br)cc1[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 31771974 XBWYVAVHKZBVJT-SFHVURJKSA-N 392.249 3.305 10 40 GGCB COc1ccccc1/C=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O 2423636 QRGASWRFMGXLNG-XDJHFCHBSA-N 379.485 3.488 10 40 GGCB COC(=O)Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1 44085940 XFSGTJXEMWNOOB-UHFFFAOYSA-N 381.457 3.454 10 40 GGCB O=C(C1=CN(c2ccc(F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1 48988642 KWLMSSUCLRONOU-UHFFFAOYSA-N 390.411 3.354 10 40 GGCB S=C(NCCCc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1 408586536 OXBCTZCVMJWOSC-UHFFFAOYSA-N 383.517 3.045 10 40 GGCB CN(C)c1ccc(CNC(=O)c2cccc(I)c2)cc1 15134374 IAMQMFHGWTWNCE-UHFFFAOYSA-N 380.229 3.287 10 40 GGCB CN1CCCc2cc(CN3CC[C@]4(CCc5ccccc5C(=O)N4)C3)ccc21 72395777 ARPYKVWRSCXDCH-XMMPIXPASA-N 375.516 3.390 10 40 GGCB Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1Cl 59109592 QJIKCVMYDIHAPW-UHFFFAOYSA-N 385.851 3.490 10 40 GGCB COCCCNc1cccc2c1C(=O)c1cccc(NCCCOC)c1C2=O 5125687 BTCOFBMHRIBRNW-UHFFFAOYSA-N 382.460 3.359 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)Cn3nc4n(c3=O)CCCCC4)c2C)cc1 9417860 VHDLVYPUQRUKFK-UHFFFAOYSA-N 394.475 3.070 10 40 GGCB CCN1CCc2cc(CN3CC[C@]4(CCc5ccccc5C(=O)N4)C3)ccc21 72395780 AWMRNIREYZJLBU-XMMPIXPASA-N 375.516 3.390 10 40 GGCB O=Cc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 5375030 HBERVVWREHRMPE-FDIDWWNZSA-N 397.477 3.396 10 40 GGCB CCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 12607190 PHVJTEQVSFZVSK-UHFFFAOYSA-N 384.476 3.203 10 40 GGCB Cc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc2n1C 408818124 ZIZOUTDDNUZRLT-SFQUDFHCSA-N 375.453 3.318 10 40 GGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(F)cc2)cc1 6747930 RXSXBWVDIFPOOG-NRFANRHFSA-N 386.467 3.478 10 40 GGCB CC(=O)n1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 4714558 UXEYGGKXVIOOCF-WQRHYEAKSA-N 387.395 3.276 10 40 GGCB biogenic COc1ccccc1-n1c(C)cc(C(=O)N[C@@H](CCSC)C(=O)O)c1C 5245807 QIXZUVGJBAELHS-HNNXBMFYSA-N 376.478 3.039 10 40 GGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)SC1=S 409195846 RCLPCETVDHRZIK-OQLLNIDSSA-N 388.470 3.106 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 408818792 QPMPNETYUKUMQD-FOWTUZBSSA-N 383.473 3.266 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(=O)c4ccc(C)cc4o3)CC2)cc1 5347259 CWQQCKNPWZFNKU-UHFFFAOYSA-N 378.428 3.072 10 40 GGCB Cc1ccc(/C=C2/C(=N)N3N=C(c4ccc5c(c4)OCO5)SC3=NC2=O)cc1 13806428 ANNILFHIGZPQDH-ZSCJGDHMSA-N 390.424 3.391 10 40 GGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 12522142 IEEWOXJNONQGFL-UHFFFAOYSA-N 377.466 3.180 10 40 GGCB O=C(NCc1ccccc1)c1cc2ccccc2c(CN2CCOCC2)c1O 35587953 NEIDFJIQECWXCY-UHFFFAOYSA-N 376.456 3.308 10 40 GGCB CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCC)c(Cl)c1 11691563 UREHMNVSWQUNSW-UHFFFAOYSA-N 382.935 3.424 10 40 GGCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)CC1 5521746 IOGJVTZOCMBWTG-XMHGGMMESA-N 379.485 3.493 10 40 GGCB COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c1O 16606834 GLSXZQIIWGZBSO-INIZCTEOSA-N 387.823 3.321 10 40 GGCB COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)c1cccc(F)c1 95465458 PWNAQPDMZQCSBA-GFCCVEGCSA-N 379.815 3.490 10 40 GGCB CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 224972597 MKJHXTKRFNQKGV-UHFFFAOYSA-N 390.505 3.106 10 40 GGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1ccccc1 4745392 NEHKKKJFUVIHBO-RVDMUPIBSA-N 388.539 3.308 10 40 GGCB COc1ccc(N2CSC3=N/C(=C\c4ccccc4)C(=O)N3C2)cc1OC 12322502 JIQJGLGTVPPAOC-YBEGLDIGSA-N 381.457 3.411 10 40 GGCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 12654217 XONUQVFVRONUGS-WJDWOHSUSA-N 385.401 3.157 10 40 GGCB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 2432790 JAVGUEBTEHZQPX-HXUWFJFHSA-N 389.459 3.333 10 40 GGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 45799537 KYCYPGYAQYRUGV-UHFFFAOYSA-N 377.466 3.013 10 40 GGCB COc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc2ccccc12 83915474 URJFPTAKHHBPLY-UHFFFAOYSA-N 377.444 3.010 10 40 GGCB O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 5553609 FXCFZXZADZKRCD-UYRXBGFRSA-N 392.415 3.288 10 40 GGCB CCOC(=O)N1CCN([C@H](c2ccccn2)c2ccc3cccnc3c2O)CC1 20192760 NPJIYPKQNUZASJ-FQEVSTJZSA-N 392.459 3.199 10 40 GGCB COc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2)c1 669364 IBBJQYVSFWMWEC-HXUWFJFHSA-N 389.411 3.312 10 40 GGCB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 409176882 ZXDQOTXZWQVXRR-LICLKQGHSA-N 398.440 3.335 10 40 GGCB CCN1C(=O)/C(=C/c2cn(CC(=O)NC3CC3)c3ccccc23)SC1=S 409130936 XKBQCOIAXCCTEQ-SXGWCWSVSA-N 385.514 3.141 10 40 GGCB CCOc1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 32099615 VHEZMCKMOJNXFC-WJDWOHSUSA-N 387.233 3.309 10 40 GGCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O 108013484 GARZHABMPZSNLM-SEJMYLSOSA-N 392.452 3.332 10 40 GGCB COc1ccc(N(CCC(N)=O)Cc2nc(-c3cccc(Cl)c3)no2)cc1 32851074 TXFVSPQWOZLOBR-UHFFFAOYSA-N 386.839 3.281 10 40 GGCB Cc1nnc(S/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)O)o1 213608547 QBCPLEJSHJKCPQ-GHXNOFRVSA-N 384.255 3.424 10 40 GGCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 5947720 BXXLRYWDUGWGBJ-CXUHLZMHSA-N 382.376 3.324 10 40 GGCB O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C/C=C/c1ccco1 39869935 RJZMDLRFFYTRTN-GSPDUGTFSA-N 384.369 3.315 10 40 GGCB O=Cc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 5375031 HBERVVWREHRMPE-FEEIMYBTSA-N 397.477 3.396 10 40 GGCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1277137 BTJKPIODEOWFRI-WDZFZDKYSA-N 386.838 3.013 10 40 GGCB CC(=O)N1C(=O)/C(=C2\SC(Nc3ccc(F)cc3)=NC2=O)c2ccccc21 5214907 SQGXNSNPVKDJFS-NXVVXOECSA-N 381.388 3.171 10 40 GGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)SC1=S 4675606 SITZKGKUCIELIW-QGOAFFKASA-N 399.541 3.479 10 40 GGCB Cc1nc2cc(N/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)ccc2[nH]1 4738909 AQQTWWLOZNVCRY-GDNBJRDFSA-N 389.415 3.067 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCC2 5796936 BBKAPCZYSBOVHW-VXGBXAGGSA-N 377.462 3.409 10 40 GGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 16427987 UWWMJRXAVBWDKW-JYRVWZFOSA-N 393.624 3.270 10 40 GGCB COC(=O)CC1=NN(c2ccccc2Cl)C(=O)/C1=C(/C)NCc1ccccn1 19894257 VXKABQWDAVPRNP-UYRXBGFRSA-N 398.850 3.065 10 40 GGCB COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 101771021 VNEGCMYNVSOZEG-PDGQHHTCSA-N 394.387 3.490 10 40 GGCB CC(C)C1=NN2C(=N)/C(=C/c3cc(Br)ccc3O)C(=O)N=C2S1 4664743 QSHPUBFBPSMSIC-PZDRNHEUSA-N 393.266 3.430 10 40 GGCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408805290 FWMZTBFAWWXVAI-LFIBNONCSA-N 395.371 3.050 10 40 GGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(F)cc2)cc1 6747931 RXSXBWVDIFPOOG-OAQYLSRUSA-N 386.467 3.478 10 40 GGCB COc1cccc(/C=C2/C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)c1 17218508 ZTOPGTLHZIKHEG-XDHOZWIPSA-N 377.400 3.096 10 40 GGCB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 23400823 MYPLYQVYYKTHEF-UHFFFAOYSA-N 388.411 3.472 10 40 GGCB CCCN1C(=O)/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S 409349746 QRKZXQJRVFWLPN-RVDMUPIBSA-N 393.490 3.043 10 40 GGCB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 54035818 SCAUHEWZNFRCJO-QRWLVFNGSA-N 384.501 3.085 10 40 GGCB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1cccc(Cl)c1 2261400 BURZMDMCTWOWTR-QPEQYQDCSA-N 375.862 3.281 10 40 GGCB COc1cc(/C=C2/SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1O 35043431 GGNSTVRFKBANTC-LICLKQGHSA-N 383.429 3.442 10 40 GGCB CN(C)c1ccc([C@H]2NC[C@@H](CSc3nnc(-c4ccncc4)s3)O2)cc1 55243012 OOBBGTAAIFPBQM-IRXDYDNUSA-N 399.545 3.445 10 40 GGCB Cc1ccsc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 15012498 GXZZTEVNZPFIOE-WQLSENKSSA-N 391.246 3.485 10 40 GGCB COC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8377766 QVGRLFFWPBPJPA-GDNBJRDFSA-N 393.486 3.350 10 40 GGCB Cc1cccc(OCC2=NN3C(=N)/C(=C\c4ccc(O)cc4)C(=O)N=C3S2)c1 4679652 BIMZAYVPCPEBIC-VGZNWPKRSA-N 392.440 3.399 10 40 GGCB COc1cc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)ccc1O 5372044 HJKHSPWWVVVGMJ-KSSSLANASA-N 381.475 3.101 10 40 GGCB Oc1cc2c(cc1[C@@H](c1ccc(Br)cc1)N1CCOCC1)OCO2 20728613 AAKIPBIAIDYPLP-GOSISDBHSA-N 392.249 3.305 10 40 GGCB CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 28643431 FDBDARRKVLTXHI-UHFFFAOYSA-N 379.460 3.031 10 40 GGCB COc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 38655230 QLZDNGICJMCHPK-UHFFFAOYSA-N 384.457 3.084 10 40 GGCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCc1c[nH]cn1 100432728 CMRYILUTTPSKGR-SDNWHVSQSA-N 380.477 3.238 10 40 GGCB COc1ccc2[nH]cc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c2c1 6660532 UECSZWIUGDENFI-AUWJEWJLSA-N 376.459 3.243 10 40 GGCB CCCCNC(=O)CN1C(=O)/C(=C\c2ccc(OCC)cc2)SC1=S 27530543 VIJSKPJDIQIGOX-RVDMUPIBSA-N 378.519 3.203 10 40 GGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1Cl 409000366 YRKMHWYIUHBQGA-WQLSENKSSA-N 392.242 3.493 10 40 GGCB CCc1nnc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)s1 5374819 FJZVDIROHOYYCD-DHZHZOJOSA-N 390.515 3.184 10 40 GGCB CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 41091527 GHYWPHIDQPPKCR-UHFFFAOYSA-N 391.448 3.283 10 40 GGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(C(=O)O)cc1 16292682 BRADQQPKVIXJDM-BOPFTXTBSA-N 378.388 3.121 10 40 GGCB CCOc1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccc(O)c(O)c3)C(=N)N12 2332191 QJDQMYCYQKIZAB-KZUXQMQWSA-N 381.413 3.366 10 40 GGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1csc(-c2ncccn2)n1 56935245 DDLXWFFMWSVINF-UHFFFAOYSA-N 397.529 3.083 10 40 GGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1coc2ccccc2c1=O 9357955 ZUEIYSISHUSEMB-DHDCSXOGSA-N 394.770 3.113 10 40 GGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1N1CCCC1 408903772 YUPGUCUSAPSSRB-QGOAFFKASA-N 393.418 3.401 10 40 GGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S 409201112 NRZPWGUBVLLIEP-RIYZIHGNSA-N 375.431 3.256 10 40 GGCB Cc1cc(C)n(C(=O)C2=C3CCCN3c3ccc(Cl)cc3S2(=O)=O)n1 67340798 ICIUUJMBVISWJF-UHFFFAOYSA-N 377.853 3.093 10 40 GGCB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 224684371 YUFUSWURRDCZRR-GOSISDBHSA-N 394.515 3.486 10 40 GGCB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cc(C)ccc3O)C2)cc1 80316272 AZIYWGHSWJVSSZ-SFHVURJKSA-N 382.416 3.252 10 40 GGCB CCOc1ccccc1/C=C1/C(=O)N(c2ccc3c(c2)OCO3)C(=O)N=C1O 96569509 LOAJSOIWZQCVIA-NTEUORMPSA-N 380.356 3.321 10 40 GGCB COCCNc1nc(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc12 2948647 DVIPMUDVULHUMZ-UHFFFAOYSA-N 385.445 3.074 10 40 GGCB COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4881512 RYNSFZVUENDLBC-CKFHNAJUSA-N 393.395 3.231 10 40 GGCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(Cl)c1 681102 ZMQZTUPZVXHAGW-UHFFFAOYSA-N 387.892 3.346 10 40 GGCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NC2CC2)cc1 112119839 CHDKFHCHOCFXLQ-ZHZULCJRSA-N 377.444 3.481 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)c3c[nH]c4ccc(OC)cc34)C[C@H]2C)cc1 33352760 CBRDUXXEIWYHQP-WAIKUNEKSA-N 395.503 3.429 10 40 GGCB CN(CCO)c1ccc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccccc3)C2)cc1 72395185 KOFQIUKJEZVWPB-FCHUYYIVSA-N 376.504 3.221 10 40 GGCB CN1C(=O)/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 5904311 BEXUSPFREZDVKI-SDNWHVSQSA-N 395.465 3.318 10 40 GGCB Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 16134560 PGLNJTHVGFOFCW-UHFFFAOYSA-N 380.488 3.453 10 40 GGCB CN(Cc1ccccc1O)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 69208388 NKDONKIKAZZSLK-CQSZACIVSA-N 375.419 3.338 10 40 GGCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 1186933 YFVHHXTVZOPWSO-GZTJUZNOSA-N 376.368 3.103 10 40 GGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5235975 PJZRSDPMCVTHHB-OZYJXZHSSA-N 389.502 3.274 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)N3CCOCC3)ccc21 22733425 DGWIKSQTLGASJB-OAQYLSRUSA-N 399.922 3.136 10 40 GGCB CCCOc1cccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 107567790 XFHVTDPDXGGZEW-UHFFFAOYSA-N 399.447 3.355 10 40 GGCB COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(OC)c1C 409078857 ILZJKUUSXIXDDD-MLJKTZRHSA-N 379.503 3.392 10 40 GGCB CCOc1cc2c(cc1/C=C1\SC(=S)N(CCC(=O)O)C1=O)O[C@H](C)C2 6510214 ZWHDJZMJEJCPFS-XBDQXEDDSA-N 393.486 3.085 10 40 GGCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)O 4602998 YQISAUNAYCDUSG-GZTJUZNOSA-N 380.400 3.355 10 40 GGCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1O 408892779 JMRKPBRUYUYVDZ-RGEXLXHISA-N 393.439 3.316 10 40 GGCB Cc1ccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(O)c1 2037977829 NGXMBRFDTQGHIF-JOCHJYFZSA-N 384.451 3.238 10 40 GGCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 4992966 YDQBSERLOOKXBZ-LFIBNONCSA-N 394.383 3.049 10 40 GGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 103916477 LITIBNXXOWRSKK-UNOMPAQXSA-N 394.387 3.110 10 40 GGCB Cc1noc2ncc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc12 58426345 FAKYBLANEWRRLU-STQMWFEESA-N 398.438 3.214 10 40 GGCB Cc1cccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1 408868780 ORBLEHHATICVCR-UHFFFAOYSA-N 386.860 3.142 10 40 GGCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1276893 IQAQERXFBHBIPY-CLUBXZQOSA-N 386.292 3.212 10 40 GGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2cccc3ccccc23)o1 5025763 HDDWZTJOKDXGBR-UHFFFAOYSA-N 380.450 3.498 10 40 GGCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 408913547 LSAMIHMOQAPWNG-OVCLIPMQSA-N 387.892 3.312 10 40 GGCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)o1 409148414 YONSULJCCXOMPO-VGOFMYFVSA-N 387.369 3.074 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COc3ccc(Cl)cc3C)CC2)cc1 20347314 MNUZSLJPBVCFGF-IBGZPJMESA-N 390.911 3.219 10 40 GGCB O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2278163 AMBRZQPSYCROCH-DWKHYPNZSA-N 389.523 3.228 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 28495549 FSBTYMCXLXRNSH-FQEVSTJZSA-N 381.476 3.142 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(CC)c3C)C2=O)cc1 409074369 QGVRKYLFZPOILT-LDADJPATSA-N 381.432 3.190 10 40 GGCB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1cc([N+](=O)[O-])ccc1O 14403998 BAUAVYHYUSVASZ-UHFFFAOYSA-N 385.351 3.344 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1cccs1 6926695 ALTNZLFUQXJIDZ-XYOKQWHBSA-N 391.455 3.203 10 40 GGCB Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCC(N)=O)SC2=S)c1 409328304 RSEQDDNRHOACMU-YBEGLDIGSA-N 384.482 3.265 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(F)cc1 6050330 BTXCBDSDQZSVRC-PDGQHHTCSA-N 395.386 3.490 10 40 GGCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2cccc3ccccc23)c1 113835958 CAKYHIBZFMQDBV-UHFFFAOYSA-N 388.448 3.333 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)CC2)cc1 44838624 GITLFWBZPIZRIP-UHFFFAOYSA-N 376.460 3.356 10 40 GGCB CCCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408878269 ZHFJVLMDSWZBDI-PTNGSMBKSA-N 398.390 3.290 10 40 GGCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccccc3Cl)c2C(N)=O)C1 7409969 MAPUGXDKZGUEDT-SECBINFHSA-N 384.910 3.426 10 40 GGCB Cc1ccc(C)c(NC(=S)NNc2nc(NC(C)C)nc(NC(C)C)n2)c1 27546096 IPVUDOHASZTNCK-UHFFFAOYSA-N 388.545 3.443 10 40 GGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 38851110 YNRPTGOVMHXLTB-NRFANRHFSA-N 393.531 3.256 10 40 GGCB CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 13514560 NNPXPEWIZOSBHR-AQTBWJFISA-N 394.475 3.351 10 40 GGCB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409139589 BHMVKAYPRNCIKH-YBEGLDIGSA-N 387.530 3.341 10 40 GGCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)n1-c1ccccc1 223598492 KRAIVAPJHXONNV-UXHICEINSA-N 378.501 3.146 10 40 GGCB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccc([N+](=O)[O-])c1 6132600 VESXPXYERDSYTF-XYOKQWHBSA-N 391.455 3.203 10 40 GGCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5374297 LZDOGDDNDUENOV-IAQOZEMSSA-N 379.459 3.116 10 40 GGCB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(O)ccc3O)=NN12 10214223 MFJCOXNASBANBM-IBGZPJMESA-N 379.460 3.453 10 40 GGCB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 12959250 MRYNKOURVBSVEQ-OJNRTJSBSA-N 385.445 3.087 10 40 GGCB Cc1cc(O)c(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1C 32533281 KMMLZTPLRYMKSZ-UHFFFAOYSA-N 381.520 3.382 10 40 GGCB O=C1[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1 103077016 CDDLFXDKCXDPNN-PWRODBHTSA-N 386.407 3.443 10 40 GGCB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1 223371081 LAJWEUSQZMRABV-UHFFFAOYSA-N 378.406 3.448 10 40 GGCB Cc1cc(C)c(N2C(=O)/C(=C/NCc3ccccc3)C(=O)NC2=S)c(C)c1 101194074 RYULGKOGIBRSME-SFQUDFHCSA-N 379.485 3.033 10 40 GGCB CCc1ccc(N2C[C@@H](C(=O)N3CCOc4cc(N(C)C)ccc43)CC2=O)cc1 72303732 OHDDZBGHWCLHEB-KRWDZBQOSA-N 393.487 3.094 10 40 GGCB O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3cscn3)cc2)SC1=S 96991228 SAPRHBYCXFXGMT-ACAGNQJTSA-N 392.483 3.008 10 40 GGCB COc1ccc(-n2nnnc2CNC(=O)C(c2ccccc2)c2ccccc2)cc1 9570397 FFWASZYFLUNBAZ-UHFFFAOYSA-N 399.454 3.119 10 40 GGCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 57851797 VWBKAZFEJTWZNN-INIZCTEOSA-N 381.476 3.047 10 40 GGCB Cc1cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1F 58046122 BXBDQZGRQBSTQG-GVDBMIGSSA-N 387.499 3.461 10 40 GGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1cccs1 4736909 PLDMBTBMLUHOOA-PDGQHHTCSA-N 387.436 3.217 10 40 GGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 4999618 JRMQWBSCFMTQRJ-AQTBWJFISA-N 387.484 3.377 10 40 GGCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4cc(F)ccc34)CC2)cc1 20720312 RRFVBHDKCDTKRV-HXUWFJFHSA-N 383.423 3.264 10 40 GGCB COCCNc1cc(N2CCCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O 6664910 KPLVUIAPQFMCIA-UHFFFAOYSA-N 393.487 3.483 10 40 GGCB Cc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)cc2C)cc1 4735783 WZSVCCYTGFQDHD-UHFFFAOYSA-N 376.463 3.079 10 40 GGCB COc1ccc(N2CCN(C(=O)CN3CC=C(c4ccccc4)CC3)CC2)cc1 7492795 CPRBKUPDPVREBW-UHFFFAOYSA-N 391.515 3.133 10 40 GGCB COc1cccc(-n2c(C)cc(C(=O)Nc3cccc(OCC(N)=O)c3)c2C)c1 24434551 TVBCJSFIOOCKAL-UHFFFAOYSA-N 393.443 3.219 10 40 GGCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccco2)C(=O)NC1=S 4739016 VJUIVHXIZRGSBA-WQLSENKSSA-N 391.246 3.182 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 408895151 UBZJKFCNQZTIJZ-SXGWCWSVSA-N 381.359 3.432 10 40 GGCB CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CN=[N+]=[N-])[C@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] 39945508 NHAQKEYPUCFXEJ-CAEXGNQWSA-N 386.376 3.101 10 40 GGCB COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(C)cc3)CC2)cc1 12557371 VWGFYINBNOZXTP-UHFFFAOYSA-N 382.508 3.337 10 40 GGCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(C)C 409339619 XEMMYLFVUMINOS-ZSOIEALJSA-N 381.475 3.158 10 40 GGCB COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3c3ccccc3)CC2)cc1 12596104 ZXXJYUVDCNQIKG-JOCHJYFZSA-N 379.504 3.181 10 40 GGCB Cc1ccc(COc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2)cc1 59139345 FEDMLODPXOGADU-UHFFFAOYSA-N 380.469 3.173 10 40 GGCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(C)c2C)C(=O)NC1=S 409093956 BYXHXNHLSDPFQG-NTEUORMPSA-N 387.892 3.435 10 40 GGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1cccc(O)c1 33339036 GOMJVUOOUNURJJ-XMHGGMMESA-N 379.485 3.180 10 40 GGCB CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 1093623 VWAWHJJHLIWOHK-UHFFFAOYSA-N 379.460 3.399 10 40 GGCB COC(=O)c1cc2ccccc2c(CN2CCC(C(=O)N3CCCC3)CC2)c1O 12810712 SMESGGHUZCCCFW-UHFFFAOYSA-N 396.487 3.166 10 40 GGCB COc1ccc(C(C)(C)NC(=O)CCCN(C)C(=O)OC(C)(C)C)c(O)c1 95979873 BCNWJYCPBGYUJQ-UHFFFAOYSA-N 380.485 3.399 10 40 GGCB Cc1c(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)cccc1[N+](=O)[O-] 33855430 QYMUHAAPDPIBRM-GZTJUZNOSA-N 399.428 3.466 10 40 GGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ncccc1C 100423618 CBZCEBXAEXYPEJ-RGEXLXHISA-N 394.431 3.050 10 40 GGCB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)c2ccccc21 5478448 KQYHNGUFOROKOJ-YBEGLDIGSA-N 394.481 3.120 10 40 GGCB CCCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N=C2O)cc1OC 27532009 JTDADWQDNBQRNH-UHFFFAOYSA-N 399.266 3.001 10 40 GGCB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(OC)cc1 1278698 KPUWUJIDIFYLGM-UHFFFAOYSA-N 385.445 3.360 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccs1 408533661 ZTBOYZMUXDIQIW-WJDWOHSUSA-N 383.425 3.412 10 40 GGCB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 217024653 LVJKOALWDPZCOX-FQEVSTJZSA-N 395.547 3.447 10 40 GGCB O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(N2CCCCC2)cc1 19661717 QUDXIPAQFYDRFQ-UHFFFAOYSA-N 390.487 3.093 10 40 GGCB CCOc1cc2c3c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2C 12631588 HCBQBXTXLVHHSV-SQFISAMPSA-N 386.498 3.486 10 40 GGCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(C(=O)OC)=C1C 408772993 OTYBOBJWJLYWNA-ZHZULCJRSA-N 394.471 3.413 10 40 GGCB Cc1nn2c(/C=C3/C(=N)N4N=CSC4=NC3=O)c(-c3ccccc3)nc2s1 41074282 JHWGSJFCUJPCDZ-WGAGLLEQSA-N 393.457 3.015 10 40 GGCB O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cnn(Cc2ccccc2)c1 8718300 UAMWEJBCUOOIIM-YVLHZVERSA-N 399.410 3.494 10 40 GGCB CCCCNC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 6428672 MUWRFQYBBVPQQY-UHFFFAOYSA-N 399.830 3.189 10 40 GGCB O=C1C[C@H](N2CCC[C@H](O)C2)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 6889645 YUQYYLXVHCWDMG-DGMLXKACSA-N 378.432 3.191 10 40 GGCB O=S(=O)(Nc1ccc2c(c1)OCO2)c1c(F)cc(F)cc1Br 6317199 QDMUIPSAPJYPIL-UHFFFAOYSA-N 392.177 3.257 10 40 GGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 16936825 ZQNVGQATEPSXGF-OWTLUSIOSA-N 375.471 3.316 10 40 GGCB Cc1cc(N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c([N+](=O)[O-])cc1C 408527653 GDDFMWLGYRXERV-GXDHUFHOSA-N 394.387 3.099 10 40 GGCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)c1 409393014 OPYINPMSKVTZCF-QGOAFFKASA-N 386.411 3.156 10 40 GGCB CCc1noc(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 55530644 JAUMAEKUKFUKJV-CHWSQXEVSA-N 375.444 3.228 10 40 GGCB COc1cc([C@@H](Nc2ccccn2)c2cc3c(cc2O)OCO3)cc(OC)c1O 1586980 OIDNTCANBLLREE-HXUWFJFHSA-N 396.399 3.440 10 40 GGCB Cc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 16838374 FSMSQHKWJMTITL-QHCPKHFHSA-N 393.531 3.181 10 40 GGCB NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(-c4ccccc4)no3)cc2)C1 58393409 MMKVWTPVLGVPHL-QGZVFWFLSA-N 377.448 3.050 10 40 GGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408999584 LTPYWKSKGYPIBR-PDGQHHTCSA-N 379.460 3.483 10 40 GGCB Cc1cc(N2CC=C(c3cncc(F)c3)CC2)n2nc(C(F)(F)F)nc2n1 95468682 HEXFABITUFSRFI-UHFFFAOYSA-N 378.333 3.279 10 40 GGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 5373695 JKQCHIAYAZVAJN-NEQSRXPGSA-N 395.502 3.404 10 40 GGCB COc1ccccc1NC(=O)C[C@H]1SC(=S)N(Cc2ccccc2)C1=O 9189416 YSVICYUBDPIMGN-MRXNPFEDSA-N 386.498 3.453 10 40 GGCB O=C(O)c1cccc(/N=N/c2ccc(S(=O)(=O)/N=c3/cccc[nH]3)cc2)c1O 77313175 RQKGJJSJEOATBZ-QZQOTICOSA-N 398.400 3.124 10 40 GGCB in-vitro CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 222903861 GOVBFRMZJAIZMQ-HSZRJFAPSA-N 395.547 3.475 10 40 GGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 5372051 MWLDGRGCMZUVPQ-RLIURORJSA-N 381.475 3.245 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1nc2ccccc2o1 12553819 GMFDQNIIJWJMLL-ZHACJKMWSA-N 377.444 3.336 10 40 GGCB CC1=CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc21 113815580 QUVKHKYDBNNJDS-UHFFFAOYSA-N 387.867 3.406 10 40 GGCB Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1C 408808579 JMOXUSXVYKILFS-UHFFFAOYSA-N 384.819 3.285 10 40 GGCB CCOC(=O)c1cnn2c(O)cc(CN(C)[C@@H]3CCCc4ccccc43)nc12 103509965 GHFVEBKCFKTPTI-GOSISDBHSA-N 380.448 3.121 10 40 GGCB COc1cccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)c1OC 1299262 PJEKOILLZDITLD-LLBKUYECSA-N 381.475 3.014 10 40 GGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1 409019151 YGHFRGZMFGREDT-GZTJUZNOSA-N 396.468 3.152 10 40 GGCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)OC 33630117 VDTAXQMQTUXGKV-LDADJPATSA-N 394.427 3.443 10 40 GGCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 223697119 VHYABUKKIAZTHW-HNNXBMFYSA-N 389.477 3.310 10 40 GGCB COc1ccc(NC2=NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c(OC)c1 5373315 WINKBYQDPYXSSB-MSUUIHNZSA-N 395.440 3.133 10 40 GGCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)NC2=S)c(C)c1 409138558 DRIJRWYQVTVICK-ATVHPVEESA-N 379.485 3.201 10 40 GGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1C(F)(F)F 408795394 VGWJIGCWPARFBO-KAMYIIQDSA-N 383.366 3.415 10 40 GGCB COc1cc(OC)c(OC)cc1C[C@H]1SC(=S)N(Cc2ccco2)C1=O 8107417 ITVSHMGLNHNNOY-MRXNPFEDSA-N 393.486 3.277 10 40 GGCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 57547813 ANNHOWLPPJDSTI-MRXNPFEDSA-N 381.476 3.047 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 27157675 IJTMIGWYTMVRMV-NRFANRHFSA-N 378.472 3.417 10 40 GGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C2/C(=O)N(C)c3ccccc32)S1 20227084 YBLYTFRGSIDHLK-NXVVXOECSA-N 393.424 3.122 10 40 GGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408531478 OFHJHJGASINCTJ-WJDWOHSUSA-N 395.850 3.249 10 40 GGCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1Cl 408996791 FARBCSLHDWMROM-UHFFFAOYSA-N 394.283 3.315 10 40 GGCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 5373692 JKQCHIAYAZVAJN-WGQGCQLISA-N 395.502 3.404 10 40 GGCB COc1ccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 2628279 LRLUMBWCVHWZIW-UHFFFAOYSA-N 389.293 3.349 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 12564703 YUKHHWHSKVESJV-UHFFFAOYSA-N 389.839 3.357 10 40 GGCB O=C1CN(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CCN1 48287646 SLPRMHNWRKQCJB-UHFFFAOYSA-N 394.353 3.162 10 40 GGCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(F)cc1 408549922 BQEUVFCCGFOSQK-WQLSENKSSA-N 393.802 3.362 10 40 GGCB CCOc1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 225776800 WKVJYZOHONCGCY-UHFFFAOYSA-N 384.549 3.324 10 40 GGCB Cc1cc(N2CCOCC2)ccc1CN(C)Cc1ccccc1N1CCOCC1 19715735 YCSMRTLCXFOQFQ-UHFFFAOYSA-N 395.547 3.300 10 40 GGCB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214193 MIJZYJQGRFTSCJ-FQEVSTJZSA-N 377.444 3.274 10 40 GGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408811818 WJRFQGMPSNBLCJ-LFIBNONCSA-N 380.400 3.069 10 40 GGCB CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC 409128745 KUQLAPROPWOENW-ATVHPVEESA-N 382.441 3.494 10 40 GGCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1cnc(Br)cn1 223951958 JJYXZXDIUQONDB-UHFFFAOYSA-N 392.326 3.326 10 40 GGCB COCCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1792256 HLMPJGISJRECQK-PEHNMLCRSA-N 385.894 3.119 10 40 GGCB COc1ccc(N2CCN(C(=O)C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 4062349 SAICYFMPXWVKNE-UHFFFAOYSA-N 377.444 3.016 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 39532785 LUJRVSRNPPTEHM-UHFFFAOYSA-N 392.503 3.128 10 40 GGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(Br)c3)C2=O)c1 408865326 BTQFUDSBKLCFDX-XNTDXEJSSA-N 385.217 3.424 10 40 GGCB CCCCOc1ccc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 96193693 OFDXVNNGGZQBSN-UHFFFAOYSA-N 395.253 3.062 10 40 GGCB Cc1ccc(-c2ccc(/C=C3\SC(N4CCOCC4)=NC3=O)o2)cc1[N+](=O)[O-] 13661980 CWBLSAHGKHNCQA-BOPFTXTBSA-N 399.428 3.466 10 40 GGCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccs2)SC1=S 5996943 NUBSXTBHYKTTMW-UKTHLTGXSA-N 376.484 3.303 10 40 GGCB COc1cc(C)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC 409127155 GSLUNBZJJHYXQF-BOPFTXTBSA-N 382.441 3.413 10 40 GGCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(C#N)cc1 33672256 DZOHRHGJXQQNNL-BKUYFWCQSA-N 382.423 3.427 10 40 GGCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 5180363 YJQNFJLZUUQYEY-LCYFTJDESA-N 377.878 3.225 10 40 GGCB COc1ccc(N2CCN(C(=O)CCN3CCCc4ccccc43)CC2)cc1 32776699 BZBSICYGFUQPET-UHFFFAOYSA-N 379.504 3.187 10 40 GGCB COc1ccc(N2CCN(C(=O)CN(CC3CCC3)CC(F)(F)F)CC2)cc1 79020248 WHIQQKNZJUKVSW-UHFFFAOYSA-N 399.457 3.008 10 40 GGCB COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3ccccc3)CC2)cc1 12596108 ZXXJYUVDCNQIKG-QFIPXVFZSA-N 379.504 3.181 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCC2 4614559 SRWNKGYXOWZYBF-BVIHXZOGSA-N 391.489 3.489 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 5796938 BBKAPCZYSBOVHW-RYUDHWBXSA-N 377.462 3.409 10 40 GGCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409389953 DADMOILWGXWTIF-QGOAFFKASA-N 387.395 3.300 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)cc1 408742317 QOUHZYVUTIGOQO-XYOKQWHBSA-N 391.246 3.182 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)COc3ccccc3F)N3CCCC3)ccc21 8963395 DDGIYVRGFJBZFR-OAQYLSRUSA-N 397.494 3.150 10 40 GGCB CN(C)c1ccc(/C=C2\C(=N)N3N=C(c4ccc(O)cc4)SC3=NC2=O)cc1 18066409 PZFZBBVLSZHBMZ-SUIAZJLOSA-N 391.456 3.126 10 40 GGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408810636 PQFMPCJIQUQMEA-GZTJUZNOSA-N 394.427 3.377 10 40 GGCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 409392921 OIFNOFQJEPSZDB-LFIBNONCSA-N 377.331 3.147 10 40 GGCB CCOC(=O)c1cnn2c(O)cc(CN(C)[C@H]3CCCc4ccccc43)nc12 103509968 GHFVEBKCFKTPTI-SFHVURJKSA-N 380.448 3.121 10 40 GGCB CCN1c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C 113789005 TZAGQWZFVHKVTM-ZDUSSCGKSA-N 385.533 3.397 10 40 GGCB Cc1ccc(C(=O)NC2(NCc3ccccc3)C(=O)c3ccccc3C2=O)cc1 226298060 LJJKNOZEQKZLII-UHFFFAOYSA-N 384.435 3.290 10 40 GGCB CCSC1=NSC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)C(=N)N12 5035164 TXFQLAJABNFWFU-WGAGLLEQSA-N 384.442 3.123 10 40 GGCB Cc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 16838372 FSMSQHKWJMTITL-HSZRJFAPSA-N 393.531 3.181 10 40 GGCB COc1cc(/C=C2\SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1O 5373031 GGNSTVRFKBANTC-YVLHZVERSA-N 383.429 3.442 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 408796937 FDTBVLSXSLDTTN-OVCLIPMQSA-N 386.791 3.024 10 40 GGCB COCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 4999685 XRSHDVXBTPTUET-RGEXLXHISA-N 383.423 3.095 10 40 GGCB COc1cccc2cc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)oc12 218620584 GAYAFNGUMMWECI-UHFFFAOYSA-N 379.460 3.123 10 40 GGCB COc1ccc(-c2cc(=O)oc3c(CNC[C@@H]4CCCO4)c(O)ccc23)cc1 6670099 WUDMTHJFIHEANE-INIZCTEOSA-N 381.428 3.443 10 40 GGCB CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CN=[N+]=[N-])[C@@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] 257347624 NHAQKEYPUCFXEJ-NIFZNCRKSA-N 386.376 3.101 10 40 GGCB COc1ccc(O)c(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)c1 72392841 RRDHNVDABUEZOU-UHFFFAOYSA-N 392.459 3.338 10 40 GGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(C(=O)O)cc3)S2)cc1 35043209 ULOWFTPBKCZZJV-MHWRWJLKSA-N 381.413 3.426 10 40 GGCB CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC 408884450 XYLYFPGNTZMBSV-VBKFSLOCSA-N 396.468 3.315 10 40 GGCB COc1ccccc1-n1c(C)cc(C(=O)NCc2nnc3ccccn23)c1C 95477897 GBAPPRPQNXMEFN-UHFFFAOYSA-N 375.432 3.075 10 40 GGCB CCN(CC)c1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccnc2)cc1 1565552669 RXGINABLLWHWJP-VXKWHMMOSA-N 378.520 3.303 10 40 GGCB O=C(O)C1=C[C@H](c2ccccc2O)n2nc(SCc3ccccc3)nc2N1 102335996 UGKWSODRGDXHDR-OAHLLOKOSA-N 380.429 3.259 10 40 GGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 5694983 JEGBOQVQLTXPBM-RGEXLXHISA-N 392.459 3.420 10 40 GGCB O=C1NC(=S)N=C(O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccsc1 79068583 VHLOJCGZPAMGMG-UHFFFAOYSA-N 380.454 3.355 10 40 GGCB Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 22733433 FUUVNISCQAQWLS-QHCPKHFHSA-N 393.531 3.099 10 40 GGCB COc1ccc(N(CCC(N)=O)Cc2nc(-c3ccccc3Cl)no2)cc1 8726596 ZPVSSHURIBYOPQ-UHFFFAOYSA-N 386.839 3.281 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 4057781 VEFKHNDREGYEHR-JOCHJYFZSA-N 396.487 3.215 10 40 GGCB CN1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)NC1=S 409232867 SPIZRIQXGKSNJS-BOPFTXTBSA-N 393.443 3.085 10 40 GGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)o2)C1=O 408859129 TUDBEDWLESDTGM-DTQAZKPQSA-N 379.416 3.109 10 40 GGCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373854 RLLFRVKJZFKVIP-QAZRXNLGSA-N 376.253 3.107 10 40 GGCB CC(=O)Nc1ccc(N/C=C2/C(=O)N=C(S)N(c3cccc(C)c3)C2=O)cc1 103113005 HFKUTIHKEPLMDP-BOPFTXTBSA-N 394.456 3.108 10 40 GGCB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cnc21 14020059 JCRSGMKNVNYZEQ-OCOZRVBESA-N 387.403 3.184 10 40 GGCB Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCSC4)C3=O)c2C)c1 58157675 NFPFFCMQZSSWAL-OAQYLSRUSA-N 397.500 3.013 10 40 GGCB CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 4263421 RONAOTVQKXSPGI-KAMYIIQDSA-N 393.486 3.018 10 40 GGCB CC(/C=C1\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O)=C\c1ccccc1 4357076 LWJQYUFJHQPXNZ-FIECFQFYSA-N 391.470 3.152 10 40 GGCB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O)c(CN3CCN(C)CC3)cc12 20625266 FRFZBWZEROHTFM-UHFFFAOYSA-N 392.499 3.454 10 40 GGCB CC(C)c1ccc(N2C(=O)N=C(O)/C(=C/NCCN3CCCCC3)C2=O)cc1 102598531 XMPLKDWSGKUJPH-JXAWBTAJSA-N 384.480 3.193 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)cs2)C1=O 4739693 BXYQDURNXSECOF-KPKJPENVSA-N 391.246 3.485 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4O)n[nH]3)CC2)cc1 8845691 WSZBDOUSJRAROL-UHFFFAOYSA-N 392.459 3.062 10 40 GGCB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217034484 HIHWLWDNGNTDEY-FQEVSTJZSA-N 385.483 3.051 10 40 GGCB C=CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 35212136 YVYXZLHLVVRFCR-GDNBJRDFSA-N 384.819 3.375 10 40 GGCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 14521651 SYZSDEMYZTWXSE-UHFFFAOYSA-N 389.503 3.493 10 40 GGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5374305 LZDOGDDNDUENOV-DXXAKNGTSA-N 379.459 3.116 10 40 GGCB COCCn1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 59087210 KVWAZUHLZGNSCJ-GZTJUZNOSA-N 385.395 3.397 10 40 GGCB COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C)CC2)ccc1O 4812354 KMZDBUVQRWIWFK-SFHVURJKSA-N 379.460 3.366 10 40 GGCB Cc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1N1CCCC1 409097377 MCYNNQPJTOKZCX-RVDMUPIBSA-N 376.503 3.271 10 40 GGCB O=C1NC(=O)C(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1 408817843 WJQVWCMEVXZSBT-UHFFFAOYSA-N 391.210 3.322 10 40 GGCB CC1=CC2=NC(=O)/C(=C/c3cccn3CCOc3cccc(C)c3)C(=N)N2O1 41078255 SBCOKZCNGMNETN-RAYXNOPOSA-N 376.416 3.326 10 40 GGCB CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N2O1 41078396 RGGXRWUCBWLLFL-AMWUQPRHSA-N 391.358 3.495 10 40 GGCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1 13582958 CDDLFXDKCXDPNN-QHAWAJNXSA-N 386.407 3.443 10 40 GGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 4356852 RMTBGGGXDKGXOC-NASPGAHYSA-N 381.475 3.158 10 40 GGCB COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1I 409347326 LUSIDPSANCPPFM-UXBLZVDNSA-N 391.255 3.131 10 40 GGCB COc1ccc(N2CCN(C(=O)c3noc(-c4ccc(C)cc4)n3)CC2)cc1 96105651 VULNYZFIQQVNMN-UHFFFAOYSA-N 378.432 3.016 10 40 GGCB O=C1C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)N1c1ccccc1 20567035 FQYOCVMAORQVJO-DFSFMLJYSA-N 394.477 3.220 10 40 GGCB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 217033690 FOCVQEOMOSYZGT-LJQANCHMSA-N 381.520 3.139 10 40 GGCB Cc1cn2c(/C=C3\CCn4c3nc3cc(C(=O)O)ccc3c4=O)c(C)nc2s1 8710262 QIRYBUFGWPVSQB-XYOKQWHBSA-N 392.440 3.365 10 40 GGCB CN1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N(C)C1=O 5030781 GSCYSGCUQPNPEU-UHFFFAOYSA-N 389.455 3.073 10 40 GGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408814251 OQBNNLFWYBXIHS-WOJGMQOQSA-N 394.427 3.377 10 40 GGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O 408886990 KRCQAXOWWROSGB-NTUHNPAUSA-N 377.183 3.365 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccc(OC)cc34)C[C@@H]2C)cc1 95483317 CBRDUXXEIWYHQP-HJPURHCSSA-N 395.503 3.429 10 40 GGCB COc1ccc2c(c1)CCCN2CC(=O)Nc1cc(Cl)ccc1-n1cncn1 22015299 HHOYZBNSCMMUQW-UHFFFAOYSA-N 397.866 3.321 10 40 GGCB COC(=O)c1ccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)cc1 58865856 OTSNBIWWCXAHML-UHFFFAOYSA-N 382.368 3.487 10 40 GGCB O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC(c2ccccc2)=NO1 58455784 ZQGHUKZPJCBOME-HXUWFJFHSA-N 381.501 3.049 10 40 GGCB COc1ccccc1/C=C1\SC(N2CCN(c3ccccc3)CC2)=NC1=O 13778518 QRGASWRFMGXLNG-CYVLTUHYSA-N 379.485 3.488 10 40 GGCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)N2CCN(C(C)=O)CC2)c1C 33023656 WECSLLZILQZWAN-UHFFFAOYSA-N 389.883 3.060 10 40 GGCB COc1ccccc1[C@H](CNCc1ccc(N2CCOCC2)cc1)N1CCCC1 22924732 STENGRZCXLOTJL-QHCPKHFHSA-N 395.547 3.459 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1OC(C)C 409018138 XQAKFQUCOMHMAZ-SDNWHVSQSA-N 398.390 3.288 10 40 GGCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NNc1ccccc1Cl 408530048 INANQYOXMKBSKT-MDZDMXLPSA-N 391.214 3.077 10 40 GGCB Cc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)[C@H](C)CC(C)(C)N2C(C)C 223598701 CRDDYRCRAUKNSD-CYBMUJFWSA-N 385.533 3.410 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C2/C(=O)N3c4c2cc(C)cc4[C@H](C)CC3(C)C)S1 8559047 WENYYGWGTHBOJX-UKNJIDDLSA-N 383.473 3.104 10 40 GGCB CCN1C(=O)C(=Cc2ccc(-c3ccccc3C(=O)O)o2)C(=O)N(CC)C1=S 4746587 QYEUOBKCCPTGPT-UHFFFAOYSA-N 398.440 3.024 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 409046034 IBNFGNGMMCHDMU-IZZDOVSWSA-N 377.183 3.365 10 40 GGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1 1862177 QAEICCPXVJWFTJ-MDWZMJQESA-N 376.484 3.294 10 40 GGCB COc1ccccc1OCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1C 103916966 NHDPSWSZIQHYAW-ZHZULCJRSA-N 383.423 3.499 10 40 GGCB COc1ccc(N2CCN(c3ncnc4c3[nH]c3cccc(OC)c34)CC2)cc1 2201725 KNSKIWCQWIRHEB-UHFFFAOYSA-N 389.459 3.455 10 40 GGCB Cc1cc(C)cc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)c1 408896850 UFYGRFPWPIXYAA-UHFFFAOYSA-N 384.819 3.285 10 40 GGCB C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4[nH]cnc4c3)cc2F)C[C@@H](C)O1 48356585 ZVQDKPIUTXRFJH-ZIAGYGMSSA-N 382.439 3.246 10 40 GGCB COc1ccc(-n2cccc2/C=C2\C(=O)N=C(O)N(c3ccccc3)C2=O)cc1 8970017 KHXSUZWPWKKZPQ-XMHGGMMESA-N 387.395 3.357 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc12 5673359 IXYDSPHOSMIAMA-LDADJPATSA-N 390.395 3.494 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 409138249 ZUZQBQUIXOHNDE-XNTDXEJSSA-N 396.468 3.152 10 40 GGCB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccc(Cl)cc1 1883253 QSYWFHYRFNNCCZ-JYRVWZFOSA-N 375.862 3.281 10 40 GGCB O=C(/C=C/c1nc2ccccc2o1)NCc1ccc(N2CCOCC2)c(F)c1 55523304 BMEGRXBRZRHABT-BQYQJAHWSA-N 381.407 3.133 10 40 GGCB COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc2)cc1 14845654 BCBDTTXYSYZRNE-UHFFFAOYSA-N 389.455 3.439 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc([N+](=O)[O-])cc1 5234698 UDUQMRIIZOSCLW-JXAWBTAJSA-N 394.456 3.387 10 40 GGCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)cc1 5552988 ZHGMWJQRMDCGQG-DHDCSXOGSA-N 386.429 3.184 10 40 GGCB Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc(N2CCCCC2)cc1 19715151 QYHGZUWEBRSMIN-UHFFFAOYSA-N 390.487 3.012 10 40 GGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1ccccc1 4745522 MQYNKGNDKFHTLL-DTQAZKPQSA-N 386.498 3.230 10 40 GGCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc(OC)c1O 897992 SXGSLKYMQNDTTL-KAMYIIQDSA-N 383.375 3.417 10 40 GGCB Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733358 XPKXTLARZVXKOQ-QHCPKHFHSA-N 393.531 3.099 10 40 GGCB CCN(CC)c1ccc(CN(C(=O)CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 6241410 VIBDKVJASUNZOO-IBGZPJMESA-N 380.554 3.095 10 40 GGCB Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1NS(C)(=O)=O 12544740 RZQOBXVCJNZLNH-UHFFFAOYSA-N 390.486 3.321 10 40 GGCB CCNc1nc(NCC)n2c(SCCOc3ccccc3Cl)nnc2n1 7063739 AYFAMXBJFLOFGP-UHFFFAOYSA-N 393.904 3.207 10 40 GGCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 223697059 VHYABUKKIAZTHW-OAHLLOKOSA-N 389.477 3.310 10 40 GGCB CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)C(C(=O)OC)=C1C 4894785 RDPBZVBDCJBCET-LCYFTJDESA-N 380.238 3.150 10 40 GGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 5337390 TUZKPELWNPLMOZ-GDNBJRDFSA-N 380.360 3.320 10 40 GGCB Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)NC2=S)c1C 409123894 FOHMZRGXPJRKLB-ATVHPVEESA-N 379.485 3.201 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 9265428 DIHNVJPMIWVOGB-ATVHPVEESA-N 393.418 3.401 10 40 GGCB CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408911325 MXDUUTXGVRRZQJ-PVMIXHCPSA-N 379.391 3.114 10 40 GGCB COc1ccc([C@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCS3)cc1OC 17135509 LKIJIAGQIVQFLO-OAQYLSRUSA-N 385.509 3.183 10 40 GGCB O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1CN1CCOCC1 20103328 SBXSMPNHQVVIJD-SFQUDFHCSA-N 386.498 3.438 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(=O)O 408769932 QSPXLDIDENQHFG-PDGQHHTCSA-N 393.395 3.271 10 40 GGCB CCN1/C(=C2/SC(=S)N(NC(C)=O)C2=O)Sc2ccc(Cl)cc21 33294989 ZDNLLBXUMNQYIL-QBFSEMIESA-N 385.923 3.353 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC)c3)C2=O)cc1 6508411 DJIVAEVFGNCHFL-AQTBWJFISA-N 380.400 3.150 10 40 GGCB Cc1ccc(N2C(=O)N=C(O)/C(=C/NCc3ccc4c(c3)OCO4)C2=O)cc1C 103105871 GUEPIWDKJAEBFE-YBEGLDIGSA-N 393.399 3.129 10 40 GGCB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4O)c3C)C(=O)N=C2S1 5375534 YCADZVDNVXFWAJ-WJNHLLBISA-N 379.445 3.439 10 40 GGCB COc1ccc(C2=NN(C(=O)/C=C\C(=O)O)[C@H](c3cc(C)ccc3O)C2)cc1 80316282 DEQIHDAZIMHIAM-LPADLIQXSA-N 380.400 3.028 10 40 GGCB COc1ccc(N2N=C(C)/C(=C/Nc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)C2=O)cc1 100958980 HSAWIBYIKYYNIY-GDNBJRDFSA-N 397.347 3.230 10 40 GGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O 409242550 OMPANOIJVXTQEJ-LDADJPATSA-N 395.459 3.492 10 40 GGCB O=C1N=C(O)/C(=C/c2coc3ccc(O)cc3c2=O)C(=O)N1c1ccccc1 33544098 MCHJMVLDJAIFBY-NVNXTCNLSA-N 376.324 3.005 10 40 GGCB COC(=O)c1ccc(C(=O)OC)c(NCc2cc(Br)ccc2O)c1 44836180 MPZGWQUZTDEWRO-UHFFFAOYSA-N 394.221 3.340 10 40 GGCB COc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCOCC3)cc2)cc1 58217464 VYHFSOXLCUNOHD-UHFFFAOYSA-N 378.476 3.212 10 40 GGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5235976 PJUWRTMAZQEHDN-LFGHMXSPSA-N 389.502 3.418 10 40 GGCB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 13669804 SNOMOQYZPAXBJG-UHFFFAOYSA-N 375.450 3.064 10 40 GGCB COc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1OC 22418333 MXUZVGHPNKXBEE-GOSISDBHSA-N 386.496 3.194 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3C)C2=O)c(C)c1 408535666 UEYRAXORKSNNKL-XNTDXEJSSA-N 394.387 3.099 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408772443 LPILTPJKSKLATJ-GZTJUZNOSA-N 394.427 3.377 10 40 GGCB CCOc1ccc2c(c1)C=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)CO2 40128918 PVJHCXKKSBDZKP-UHFFFAOYSA-N 394.471 3.219 10 40 GGCB CCCOc1ccc(Br)cc1/C=C1/SC(NC(C)=O)=NC1=O 2817232 JNFBBXFGJQQYOS-MDWZMJQESA-N 383.267 3.344 10 40 GGCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)N3CCOCC3)ccc21 13008307 DZYOYJUNXSXGKU-JOCHJYFZSA-N 397.494 3.011 10 40 GGCB O=C1CO[C@]2(CCCN(Cc3ccccc3O)CC2)CN1c1cccc(F)c1 2037977923 XUOSHQYOMNOXGP-QFIPXVFZSA-N 384.451 3.319 10 40 GGCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccc(OC)cc34)CC2)cc1 20727658 ILZWJKYWQYNPEW-NRFANRHFSA-N 395.459 3.133 10 40 GGCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 409390346 FBQAMUXNIIHWTE-FOWTUZBSSA-N 391.408 3.492 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(O)cc1 33332452 ADVASRMVMYKDMA-QGOAFFKASA-N 383.448 3.324 10 40 GGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373870 DMUHWYNAULHCNL-VHODGJRUSA-N 390.280 3.353 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 28495552 FSBTYMCXLXRNSH-HXUWFJFHSA-N 381.476 3.142 10 40 GGCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NC3CCCC3)C2=O)cc1 27530541 HZHPOYHQSSEBHK-LFIBNONCSA-N 390.530 3.345 10 40 GGCB Cc1cc(I)cc(/C=C2/SC(=S)N(C)C2=O)c1O 113831086 LBQKAWAMFYJYGZ-WEVVVXLNSA-N 391.255 3.136 10 40 GGCB CC(C)Nc1nc(NNC(=S)Nc2cccc(Cl)c2)nc(NC(C)C)n1 27546091 CCAVMPMYHRMQLN-UHFFFAOYSA-N 394.936 3.479 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S)c1ccccc1 206184013 VEEHQMJEAYTCFY-GXDHUFHOSA-N 385.426 3.141 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1OC 409139607 OLRIEEUNDGSWBN-RVDMUPIBSA-N 396.468 3.152 10 40 GGCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccccc3O)S2)CC1 5705516 NCWXHLONNZDQPF-XMHGGMMESA-N 379.485 3.493 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)ccn3)cc2F)C[C@@H](C)O1 70019526 BHEGEMKHFBEAKT-BETUJISGSA-N 377.847 3.418 10 40 GGCB O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 44900919 IQHALVOYTXACML-UHFFFAOYSA-N 389.477 3.205 10 40 GGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NC1CC(C)(C)NC(C)(C)C1 103539128 KZANBJLBTUEUMA-ATVHPVEESA-N 385.468 3.100 10 40 GGCB CC(=O)n1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21 1057827 IXAPDAFCEZGBHW-GZTJUZNOSA-N 389.436 3.133 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@H]3C[C@@H](C)CC(C)(C)C3)CC2)cc1 20347303 UBJHMGJIUMQJAG-UZKOGDIHSA-N 390.568 3.410 10 40 GGCB COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(C)=O 5477060 CVBSKEXTHKCKRC-LICLKQGHSA-N 394.383 3.125 10 40 GGCB COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(OC)c1O 409205470 NITKNTZIEYQBCM-OQLLNIDSSA-N 390.486 3.365 10 40 GGCB Cc1occc1C(=O)NN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361131 MKRLFKWTBZBEQW-DHDCSXOGSA-N 396.453 3.077 10 40 GGCB O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 27530381 DXYAHURKIPWRTB-NTEUORMPSA-N 385.422 3.489 10 40 GGCB CN(C)c1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 8171692 YRUYGVNKKUNVQJ-UHFFFAOYSA-N 382.464 3.194 10 40 GGCB O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)NCc1ccco1 16790561 RZQDOPLBOZXXGD-RIYZIHGNSA-N 392.889 3.451 10 40 GGCB COCCn1c(C)cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1C 409145233 PULRYJHYVVKSDF-CCAPLTMGSA-N 380.535 3.132 10 40 GGCB COc1ccc(C(=O)NC2(Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1 226297703 VSXILEKUPXDCEC-UHFFFAOYSA-N 386.407 3.313 10 40 GGCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3ncccc3O)cc2)s1 16951558 WFDOPUUFRHEHRY-ZCXUNETKSA-N 376.423 3.163 10 40 GGCB CN1CCCc2cc(CN3CCC4(CC3)NC(=O)c3ccccc3O4)ccc21 12146029 XNXLPIUZJPMVJC-UHFFFAOYSA-N 377.488 3.184 10 40 GGCB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 2640390 COKGTUKELYGCKF-OAHLLOKOSA-N 381.428 3.070 10 40 GGCB Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 217012438 BCJYQIKSBNRAKR-UHFFFAOYSA-N 381.520 3.059 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21 4304831 RPBBYWQGXHGOEF-UHFFFAOYSA-N 381.384 3.402 10 40 GGCB O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1O 13739374 SZLSVNNBEXCILG-UQCOIBPSSA-N 395.097 3.406 10 40 GGCB COc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N(C(C)C)C2=O)c(OC)c1 712289 LRMRNIKMGGCNAY-LICLKQGHSA-N 398.415 3.080 10 40 GGCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 408807752 KWCJLIXYSIPCSG-LICLKQGHSA-N 395.371 3.048 10 40 GGCB Cc1ccc(C(=O)NC2(NC3CCCCC3)C(=O)c3ccccc3C2=O)cc1 226298016 LQXGNBWTJFVOAB-UHFFFAOYSA-N 376.456 3.423 10 40 GGCB CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 94992858 QSBMHBTZSCHOLR-JLHYYAGUSA-N 385.532 3.073 10 40 GGCB CCc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)s1 56101848 OSGADWUQOJYQEC-UHFFFAOYSA-N 382.576 3.342 10 40 GGCB COc1ccc(-n2nnnc2CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 9570386 XDJUOBHSBLEDLO-UHFFFAOYSA-N 385.427 3.268 10 40 GGCB Cc1nn(-c2ccccn2)c2ncc(C(=O)NCc3ccc(N(C)C)cc3)cc12 32921984 YBTACINIHGEVMF-UHFFFAOYSA-N 386.459 3.120 10 40 GGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cccc(C)n1 100423377 WSYXIGYSGCOVEW-ZHZULCJRSA-N 394.431 3.050 10 40 GGCB CN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)SC1=S 9234871 VNWGPDHDIPBNGE-NTUHNPAUSA-N 389.410 3.174 10 40 GGCB COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 22511618 VHWYSADQEHXCGO-MRXNPFEDSA-N 386.517 3.329 10 40 GGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccccc1OC 4736903 KUFWNTZUJSVJGT-QNGOZBTKSA-N 393.443 3.025 10 40 GGCB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccc1[N+](=O)[O-] 6132910 JVPYOZMOVRVTOE-XYOKQWHBSA-N 391.455 3.203 10 40 GGCB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(Nc2cccc(C)c2C)=NC1=O 27692562 CPEQKISIEJJBIJ-STZFKDTASA-N 390.487 3.387 10 40 GGCB COc1ccc2c3c(n(C[C@H]4CCCO4)c(=O)c2c1OC)-c1ccccc1C3=O 604405988 WDUAQZYOFOEDNQ-CYBMUJFWSA-N 391.423 3.409 10 40 GGCB biogenic COc1ccc(/C=C2/C(=O)N(c3cc(OC)ccc3OC)C(=O)N=C2O)cc1 8739657 PSRHUBZDQDDRQA-XNTDXEJSSA-N 382.372 3.219 10 40 GGCB COc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1 44169790 QODSIDDCGJVCFR-UHFFFAOYSA-N 398.484 3.475 10 40 GGCB CC(=O)Nc1ccc(N/C=C2/C(=O)N=C(S)N(c3ccccc3C)C2=O)cc1 103224476 JCQMEMPKUDNBNX-WJDWOHSUSA-N 394.456 3.108 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2 4178572 QNCPGOIWERLDBR-BVIHXZOGSA-N 389.473 3.265 10 40 GGCB CN(C)c1ccc(CN2C[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@@H]32)cc1 96244871 SJNYEJROFDBSRH-RXVVDRJESA-N 383.923 3.291 10 40 GGCB CC[C@H](OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 23224654 TVUIBCQMARNZQF-GMAHTHKFSA-N 384.520 3.346 10 40 GGCB COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1O 26593405 HCTDIGCYGWWZCE-OVDNTTTISA-N 392.440 3.377 10 40 GGCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccc1 409390314 DYSOMFAVMGASRB-UYRXBGFRSA-N 386.411 3.156 10 40 GGCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 409021601 PIKIRMCJOYZQJH-LICLKQGHSA-N 384.432 3.444 10 40 GGCB CN1CCN(c2ccc(CNC(=O)COc3ccccc3C(C)(C)C)cc2)CC1 222804087 RGNKXBHNYIDYLY-UHFFFAOYSA-N 395.547 3.431 10 40 GGCB CCN1C(=O)[C@H](Cc2cc(Br)c(OC)c(OC)c2)SC1=S 6952490 HOXUVAXJKUEQGV-NSHDSACASA-N 390.324 3.258 10 40 GGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 409002024 SABBMMWRWQGPRF-QPEQYQDCSA-N 392.242 3.493 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccc(Cl)cc1 13284508 TVBLLFGKFHCYQZ-LCYFTJDESA-N 375.862 3.281 10 40 GGCB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)C1=S=CC=C1 408628373 SARBWSXBRFKOLP-UHFFFAOYSA-N 394.481 3.289 10 40 GGCB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3ccccc3O)C[C@H]21 514288628 IYLXIFSGRWOUEW-QAPCUYQASA-N 392.377 3.128 10 40 GGCB biogenic,in-vitro CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 641225 VZCYFGBTERWVSY-HXUWFJFHSA-N 394.475 3.418 10 40 GGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 7059941 GXRISNBJRATIHC-UHFFFAOYSA-N 386.517 3.085 10 40 GGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 5284593 HETYXGGHGLWHNG-OEMOTLHWSA-N 380.447 3.295 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNc3ccc(C)c(C)c3)C2=O)c(C)c1 16284844 JAHCSNFEJSWCGG-GZTJUZNOSA-N 378.432 3.004 10 40 GGCB COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)ccc1O 1766416 SSAHQDJWKBSLIB-GXDHUFHOSA-N 381.475 3.247 10 40 GGCB CC(C)N1CNC2=N[C@@H](c3ccc(N(C)C)cc3)n3c(nc4ccccc43)N2C1 20101439 ODXVZTABVZGJKA-HXUWFJFHSA-N 389.507 3.054 10 40 GGCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 4740074 CRZYTPGTAJMSCK-GZTJUZNOSA-N 392.802 3.192 10 40 GGCB CCN1CCC[C@H]1CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1 19527130 LICWHZOUTHJVLI-DEOSSOPVSA-N 394.563 3.405 10 40 GGCB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 22511613 VHWYSADQEHXCGO-INIZCTEOSA-N 386.517 3.329 10 40 GGCB CCOC(=O)CCCNC(=O)CSc1ncc(-c2ccccc2)n1CC 39976046 PCXQTOGSDKREQC-UHFFFAOYSA-N 375.494 3.122 10 40 GGCB C[C@@H](NCc1cc(Br)ccc1O)c1ccc(NS(C)(=O)=O)cc1 69350473 MIGGHTIUURAWQB-LLVKDONJSA-N 399.310 3.377 10 40 GGCB Cc1nc([N+](=O)[O-])c(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1C 101101404 SCZGIWFQAPKJPK-AWEZNQCLSA-N 379.848 3.072 10 40 GGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC1CCCCC1 112121803 XCMVPAMXWFFNTG-ZHZULCJRSA-N 385.464 3.157 10 40 GGCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCCCC3)C2=O)cc1 27530560 DFVMNKLZXASBRL-FOWTUZBSSA-N 390.530 3.299 10 40 GGCB Cc1cc(C)cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733355 XPKXTLARZVXKOQ-HSZRJFAPSA-N 393.531 3.099 10 40 GGCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)c1 12438412 QRPFLBNGSUZPSD-MAUPQMMJSA-N 381.475 3.014 10 40 GGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c[nH]n2c(=O)c3ccccc3nc12 16292656 OAQWJFRQNCWFCN-WOJGMQOQSA-N 383.411 3.290 10 40 GGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(CC)c3C)C2=O)c1 1134861 VXOOWIWOXWIAOX-WQRHYEAKSA-N 381.432 3.190 10 40 GGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(O)cc1 19841901 FZAZJEGYSQLMGX-RGEXLXHISA-N 379.485 3.180 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N(C)C)ccc21 8963113 LPGCEBMQFPTMSH-OAHLLOKOSA-N 392.297 3.067 10 40 GGCB Cc1ccc(COc2ccccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 59140021 OCYKKBHVUXRSRV-UHFFFAOYSA-N 380.469 3.173 10 40 GGCB COc1cc(OC)c(NS(=O)(=O)c2cccc3nsnc23)cc1Cl 14221127 AFOPVENRSVLVRT-UHFFFAOYSA-N 385.854 3.163 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC)C2=O)cc1 408798412 IERHMMPRUXRZPB-XNTDXEJSSA-N 386.791 3.024 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 102187938 MNNWCESDFLWSFC-GVARAGBVSA-N 391.489 3.489 10 40 GGCB COCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 4999682 VNLQVMROITYDLE-SILNSSARSA-N 379.460 3.346 10 40 GGCB CCOc1ccc2c(c1)SC1=NC(=O)/C(=C\c3ccc(O)c(O)c3)C(=N)N12 16993610 QJDQMYCYQKIZAB-NHSARVKJSA-N 381.413 3.366 10 40 GGCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCOCC2)c1O 20150173 VPGSQFDAFSXFSV-UHFFFAOYSA-N 386.473 3.325 10 40 GGCB COC(=O)c1ccc(Oc2c(C)oc3cc(C(=O)C(C)=O)ccc3c2=O)cc1 28628413 FWZYJQRBHNHQHU-UHFFFAOYSA-N 380.352 3.452 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)N=C2O)cc1Cl 36559450 VLQIDLXDBAKGAX-YRNVUSSQSA-N 375.724 3.020 10 40 GGCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NC[C@H]2CCCO2)cc1 112122981 SVHZGEPCEDNBFA-JSZIULHXSA-N 391.471 3.489 10 40 GGCB CCN(CC)c1ccc(/C=c2\sc3nc4ccc(C(=O)O)cc4n3c2=O)cc1 408722333 HIRQQHDHEJUOSA-WQRHYEAKSA-N 393.468 3.001 10 40 GGCB O=C1NC(=S)S/C1=C/c1cc(Br)c(O)c(Br)c1 1084655 NFDKYEDDYDKYIA-XVNBXDOJSA-N 395.097 3.406 10 40 GGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(F)cc1 14010802 IOYNJDXIKHLEHK-ZROIWOOFSA-N 389.180 3.255 10 40 GGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 6348231 ORCHDAAGRPKADJ-GDNBJRDFSA-N 389.448 3.041 10 40 GGCB COc1ccc(-c2cc(=O)oc3c(C)c(O)c(CN4CCN(C)CC4)cc23)cc1 20650468 CXZFDSQVKAKWDB-UHFFFAOYSA-N 394.471 3.230 10 40 GGCB biogenic COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3c3cccs3)CC2)cc1 7620721 YYLVMSDCPCXPEB-LJQANCHMSA-N 385.533 3.242 10 40 GGCB O=C1CN(Cc2ccc(Br)cc2)[C@@H](c2cc(O)c(O)c(Cl)c2)N1 84398242 RRUSVWGLYFONOM-INIZCTEOSA-N 397.656 3.144 10 40 GGCB CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22665773 DLEVRZOJADDFMJ-JOCHJYFZSA-N 398.526 3.281 10 40 GGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 5769628 WFNUROUBHIUJQZ-GHXNOFRVSA-N 378.171 3.363 10 40 GGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408805393 ATJBFWVLQBTYKC-GZTJUZNOSA-N 380.400 3.069 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(C(=O)O)cc1 35623418 GUNGVYVTWSIVNE-NBVRZTHBSA-N 393.468 3.177 10 40 GGCB COc1ccc(N2CCN(C(=O)c3c(C)cnn3-c3ccccc3)CC2)cc1 96125515 NPSUMUSYAZTHGH-UHFFFAOYSA-N 376.460 3.152 10 40 GGCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCC(N)=O 5719273 IISXCDAWBYBLQE-CXUHLZMHSA-N 399.834 3.019 10 40 GGCB COc1cc(NC(=O)Cc2ccc(Cl)cc2)c(N2CCOCC2)cc1OC 12857028 VXKAHBDMUDXJKP-UHFFFAOYSA-N 390.867 3.375 10 40 GGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccccc1 17080802 YMPNZPHWTZXBRR-QNGOZBTKSA-N 395.434 3.198 10 40 GGCB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2F)C1=O 3652524 OOFQQSHNWLETQW-MOSHPQCFSA-N 395.434 3.064 10 40 GGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 5371704 KIDKMNWRVZKTDM-VWLVURMCSA-N 379.459 3.229 10 40 GGCB CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22665777 DLEVRZOJADDFMJ-QFIPXVFZSA-N 398.526 3.281 10 40 GGCB O=C(O)[C@@H](Cc1ccccc1)NCc1c(O)ccc2c1oc(=O)c1ccccc12 11865495 WSAMWULVMMTURK-LJQANCHMSA-N 389.407 3.437 10 40 GGCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1O[C@H](C)C(=O)O 4699015 PFGVSLYCXWQCQV-SWEABUAFSA-N 380.400 3.353 10 40 GGCB O=C(COc1cccc2ccccc12)NCc1ccc(N2CCOCC2)cc1 218912663 OPTDZGOEIMTLHV-UHFFFAOYSA-N 376.456 3.372 10 40 GGCB Cc1ccc(O)c(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037977789 IEMZOLLSCXVJKB-HSZRJFAPSA-N 380.488 3.489 10 40 GGCB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCN(C)CC4)c3oc2=O)cc1 20605071 BOAYRVJVVVUTPN-UHFFFAOYSA-N 394.471 3.230 10 40 GGCB biogenic CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NC(C)(C)C)C2=O)cc1 27530545 JYWSTUCJLPCBGX-GXDHUFHOSA-N 378.519 3.201 10 40 GGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1Cc1ccccc1Cl 408878109 WOPFROIFIDXEDY-UHFFFAOYSA-N 391.279 3.499 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 26417124 CPVUDCGYWXAYPC-RXVVDRJESA-N 387.549 3.089 10 40 GGCB Cc1cc(N)c(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)cc1C 12321571 GAOJTKDVSKIAMQ-UHFFFAOYSA-N 392.434 3.033 10 40 GGCB Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 7129026 JQYAPAWVPHSJEM-UHFFFAOYSA-N 379.441 3.393 10 40 GGCB Cc1noc2ncc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc12 58426342 FAKYBLANEWRRLU-CHWSQXEVSA-N 398.438 3.214 10 40 GGCB CC(C)(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551734 DYDUEIFXCQHCDL-QINSGFPZSA-N 381.388 3.234 10 40 GGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2c[nH]c3ccccc23)C1=O 13550753 XBLQUTHKYYYGDS-RVDMUPIBSA-N 375.384 3.233 10 40 GGCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 8659846 ULQMPVRCDTUQSL-UKTHLTGXSA-N 397.347 3.236 10 40 GGCB Cc1ccc(N2C(=O)N=C(O)/C(=C/Nc3ccc(C(=O)O)cc3)C2=O)cc1C 6276069 BDDUGEVGAXZWAK-YBEGLDIGSA-N 379.372 3.421 10 40 GGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1c(F)cccc1Cl 408850459 AKGAZOXOOUPNJN-CSKARUKUSA-N 378.787 3.450 10 40 GGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 408984177 IEKYHUMGYBTHQM-ZROIWOOFSA-N 399.790 3.477 10 40 GGCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1C(C)C 409393588 QXVMGZQHMAECBY-GZTJUZNOSA-N 379.416 3.188 10 40 GGCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 6415980 KKBVSZRCFTZICQ-VIFPVBQESA-N 384.910 3.426 10 40 GGCB O=C1c2ccccc2C(=O)[C@@H]2S[C@@H]3C(=O)c4ccccc4C(=O)[C@@H]3S[C@@H]12 100253559 BQPAVUCZTHBGEU-LWYYNNOASA-N 380.446 3.099 10 40 GGCB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1c(O)ccc2c1CCCC2 72304337 QGWTUOBZKOEHMO-IBGZPJMESA-N 382.485 3.390 10 40 GGCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 409340260 SYEPLNCRFMCCAJ-PFONDFGASA-N 382.422 3.143 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 225688997 CMDLVPHUZMUYLX-SHTIJGAHSA-N 391.489 3.345 10 40 GGCB CC(C)c1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 5374245 IWMBJDCNVCGAIG-GFAPJHNFSA-N 393.486 3.329 10 40 GGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)o3)C2=O)c1C 4513310 ROOXXVCSMDJBGK-VBKFSLOCSA-N 379.416 3.163 10 40 GGCB CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N=C1O 33783965 NJMJJHMRGNKCBD-UHFFFAOYSA-N 383.267 3.383 10 40 GGCB CC(C)OC(=O)c1cc(Br)c2c(c1N)C(=O)c1ccccc1C2=O 40040112 AHHOLZHYSROXEH-UHFFFAOYSA-N 388.217 3.372 10 40 GGCB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1 2726751 YKYDCJGSESVMAN-UHFFFAOYSA-N 391.210 3.322 10 40 GGCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)SC1=S 9233884 SITZKGKUCIELIW-AQTBWJFISA-N 399.541 3.479 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC 408798850 GETDDSRVIXJAQU-LFIBNONCSA-N 380.400 3.069 10 40 GGCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3cccc(C(C)C)c3)cc2)CC1 32858244 BKVSHSJMPJYGKP-UHFFFAOYSA-N 395.503 3.496 10 40 GGCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)OC(C)C)c(OC)c2)SC1=S 408600302 BITLNWMVHMSCDY-OQLLNIDSSA-N 395.502 3.247 10 40 GGCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 409072304 JPYCZJGZOGDBCU-JASJWYONSA-N 392.452 3.414 10 40 GGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N(C)C 408526169 ATFFRIITSJAGIY-PTNGSMBKSA-N 390.447 3.361 10 40 GGCB O=C1N=C(O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(=O)N1C1CCCCC1 8971407 VPLAOHISIALBSP-UWXVCKHVSA-N 397.479 3.249 10 40 GGCB CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N=C2O)cc1OCC 27532011 XRNAJWUHAFYKEZ-UHFFFAOYSA-N 397.225 3.226 10 40 GGCB CCOC(=O)C1=CN(c2ccc(OC)cc2)c2ccc(F)cc2S1(=O)=O 67172821 HQOFUSHPBOBCBZ-UHFFFAOYSA-N 377.393 3.164 10 40 GGCB Cc1ccc(C)c(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)c1 4086776 ZRQAAIXITVBROE-HXUWFJFHSA-N 384.481 3.382 10 40 GGCB CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 2326087 YQWYXJYITQVIMI-MRXNPFEDSA-N 398.440 3.461 10 40 GGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 408801441 ASKBAGVVTAVOSW-FOWTUZBSSA-N 380.400 3.150 10 40 GGCB COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)c1cccc(F)c1 95465457 PWNAQPDMZQCSBA-LBPRGKRZSA-N 379.815 3.490 10 40 GGCB COc1cccc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)c1O 72392842 PDAUWNZVTNRUDI-UHFFFAOYSA-N 392.459 3.338 10 40 GGCB COc1ccc([C@@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCS3)cc1OC 17135697 FVFDGQSEZIKZKB-QFIPXVFZSA-N 399.536 3.491 10 40 GGCB CCN(CC)c1ccc(CN(C)C(=O)c2sc3ncn(C)c(=O)c3c2C)cc1 24187609 DWRDNTASSJMUAU-UHFFFAOYSA-N 398.532 3.422 10 40 GGCB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 257200778 AEVPYHCBVZBNQM-GOSISDBHSA-N 381.524 3.091 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCC2 5796939 BBKAPCZYSBOVHW-NWDGAFQWSA-N 377.462 3.409 10 40 GGCB COc1cccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)c1OC 1299260 PJEKOILLZDITLD-FSBNRTBOSA-N 381.475 3.014 10 40 GGCB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 27957812 BCNFIVFLPORMMH-UHFFFAOYSA-N 396.896 3.013 10 40 GGCB CCC(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 3444254 YHDYGEAFBZIJKY-UHFFFAOYSA-N 382.460 3.016 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1C 408962797 VDCHLCMQVJPLRQ-GZTJUZNOSA-N 394.427 3.295 10 40 GGCB CCOC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 73043907 UKZSZGMUHWCGJX-ROUUACIJSA-N 375.513 3.042 10 40 GGCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 100423346 IYPYPGLLTLFIOS-RGEXLXHISA-N 398.488 3.223 10 40 GGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2Cl)c(Cl)c1 408871407 YRYPADUKCGGPBC-UHFFFAOYSA-N 391.279 3.499 10 40 GGCB O=C(NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1cccnc1 20010446 IQGZCIZRIPUMOR-QPEQYQDCSA-N 393.852 3.420 10 40 GGCB COc1cc(NS(=O)(=O)c2cccc3nsnc23)c(OC)cc1Cl 14255950 CEIWLZOPJCVNSK-UHFFFAOYSA-N 385.854 3.163 10 40 GGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 409045129 FEZWADRSCVUWMZ-WUXMJOGZSA-N 393.182 3.071 10 40 GGCB CC(C)c1nn(C)c(Cl)c1CNCc1ccc(N2CCOCC2)c(F)c1 48748793 KFPSTRMASVRKRB-UHFFFAOYSA-N 380.895 3.462 10 40 GGCB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(O)cc3)C[C@H]21 10214580 UMSODDDYTGORMH-LJQANCHMSA-N 379.460 3.366 10 40 GGCB COc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(N(C)C)cc2)cc1OC 72329292 SXHPRXITPPMBPC-UHFFFAOYSA-N 380.448 3.090 10 40 GGCB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)C1CCCCC1 5236045 CLGVCZXOGLSABV-GXDHUFHOSA-N 386.502 3.376 10 40 GGCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409058809 TXKZHPPDFWVTPF-CXUHLZMHSA-N 399.472 3.397 10 40 GGCB CN1CCN(c2ccc(CNC(=O)CCSCc3ccccc3)cc2)CC1 95482562 AVWVTIWLIDVLHS-UHFFFAOYSA-N 383.561 3.378 10 40 GGCB COc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)ccc1OC(C)=O 35104087 OZCNINUCXOEEKI-GDNBJRDFSA-N 394.383 3.436 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1O 5853451 SZLUZRJUQIEWNN-WJDWOHSUSA-N 395.411 3.287 10 40 GGCB Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 757983 OOFBMPMHFBUYHM-YBEGLDIGSA-N 379.803 3.498 10 40 GGCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(CCOc2ccccc2)C1=O 9188774 JDBJOTMRBXPMAX-NXVVXOECSA-N 382.466 3.289 10 40 GGCB COc1cccc(/C=C2\SC(NC(C)=O)=NC2=O)c1OCc1ccccc1 408972321 ANDZVFWLMXZADN-BOPFTXTBSA-N 382.441 3.381 10 40 GGCB Cc1cc(C)c(S(=O)(=O)Nc2cc(SC(=N)N)c(O)cc2C)c(C)c1 5516240 HZNQQISHRBNTHP-UHFFFAOYSA-N 379.507 3.412 10 40 GGCB Oc1ccc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cc1O 12113851 ROLFHIHUBZKWHS-UHFFFAOYSA-N 376.372 3.148 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(-c2ccc(O)cc2)n1 58305131 YZKILYAVWFZIGW-UHFFFAOYSA-N 395.484 3.282 10 40 GGCB Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)no1 4745592 QRAMBCUYZSLLSI-FMIVXFBMSA-N 377.447 3.196 10 40 GGCB CC(C)n1nc(O)c2c(-c3ccnn3C)c3oc4c(O)c(O)ccc4c3nc21 95478079 LHQWVALSYPDFHM-UHFFFAOYSA-N 379.376 3.429 10 40 GGCB COC(=O)c1ccc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc1 5371730 FOAHVOAVPXZWAC-CKXDQPNJSA-N 393.486 3.174 10 40 GGCB CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 73043906 UKZSZGMUHWCGJX-ZWKOTPCHSA-N 375.513 3.042 10 40 GGCB COc1ccc(N2CCN(CCNC(=O)c3cccc4ccccc34)CC2)cc1 56997201 XWMBVTVMOOGGLF-UHFFFAOYSA-N 389.499 3.400 10 40 GGCB COc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)c(OC)c1 8995237 AEXQRSRMPIYEOM-CXUHLZMHSA-N 384.363 3.345 10 40 GGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(I)cc1 4501839 CUTCPDPIPGRMCS-UHFFFAOYSA-N 398.196 3.435 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S)c1ccccc1 1465964 BFWFAUSRAACVLI-WJDWOHSUSA-N 398.465 3.004 10 40 GGCB COc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCS3)cc1OC 17051184 JROYAAIDDOGUNK-NRFANRHFSA-N 385.509 3.183 10 40 GGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1cc(C)cc(C)c1 408878869 CYENXWRCJHOZSM-UHFFFAOYSA-N 378.428 3.042 10 40 GGCB CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)[C@@H]1/N=N/c1ccccc1 100244996 QDTMJKXRTWLGGY-AMGRQBIBSA-N 392.824 3.462 10 40 GGCB COC(=O)c1ccccc1Nc1c(-c2ccc(O)c(O)c2)nc2cnccn12 35606376 LNWPDUBNRHIRFZ-UHFFFAOYSA-N 376.372 3.338 10 40 GGCB CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1OC 33417412 WSULWUNYYWIZDG-WOWRAWIFSA-N 376.478 3.173 10 40 GGCB COCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409145742 QVWRDBANNOGXHD-SFQUDFHCSA-N 376.478 3.368 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1C 409221337 OSUBQTUZJNBXAH-LFIBNONCSA-N 380.469 3.452 10 40 GGCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NC[C@H]3CCCO3)C2=O)cc1 112122947 FBIVSLCMKKMBRI-JSZIULHXSA-N 391.471 3.489 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 222270862 JPHYGCWJMAFAHY-GRYCIOLGSA-N 377.462 3.265 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 5125623 REVCJKXWFYDMKV-GZTJUZNOSA-N 375.384 3.233 10 40 GGCB biogenic CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665415 GAKUOAVLAGLWFV-HSZRJFAPSA-N 394.563 3.388 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc([N+](=O)[O-])c(C)c2C)C1=O 408527121 FAZHFUATLAOLJI-GXDHUFHOSA-N 394.387 3.099 10 40 GGCB CCOc1cc(/C=C2/NC(=S)N(CC)C2=O)cc(Br)c1OCC 15019169 WXERUNAWVYISFF-XYOKQWHBSA-N 399.310 3.324 10 40 GGCB COCCCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C 409000138 XFLAMYBEZTVMNG-KAMYIIQDSA-N 383.366 3.415 10 40 GGCB Cc1cc(/C=C2\C(=O)NC(=S)N(C3CC3)C2=O)c(C)n1-c1ccc(F)cc1 2369107 SVRUXEPDJZHGFT-LICLKQGHSA-N 383.448 3.022 10 40 GGCB O=C1N=C(NNC(=S)NCc2ccco2)S/C1=C\c1ccc(Cl)cc1 15057097 ZDQKDIBKMPUAGF-JYRVWZFOSA-N 392.893 3.072 10 40 GGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 5793627 KYSWIOKGVUYIDY-XMHGGMMESA-N 392.459 3.420 10 40 GGCB CCN1C(=O)C(=Cc2cc(F)c(N3CCCC3)cc2C)C(=O)N(CC)C1=S 107647888 XZMOBEIDXUXPAV-UHFFFAOYSA-N 389.496 3.113 10 40 GGCB COCCN1C(=O)/C(=C/c2ccc(Cl)s2)C(=O)N(c2ccccc2)C1=O 409013170 LWLVQXADEKZWSQ-KAMYIIQDSA-N 390.848 3.427 10 40 GGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235947 SPIBNMHCPQMOKC-FNWMBBJUSA-N 375.475 3.408 10 40 GGCB Cc1ccc(Cn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)cc1 2238191 DRHZBHLJVKLGRO-UHFFFAOYSA-N 387.439 3.432 10 40 GGCB COC(=O)c1cccc(NC(=S)NCCN(C)c2ccc(OC)cc2)c1C 225798373 CVXQSBDWZSBLSQ-UHFFFAOYSA-N 387.505 3.213 10 40 GGCB CC(=O)Nc1ccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 12136871 LWEQHWFCVCJSOH-INIZCTEOSA-N 383.429 3.242 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 13649599 RMKSXHKWFXFNER-UHFFFAOYSA-N 379.504 3.444 10 40 GGCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N3CCCCCC3)C2=O)c1 16718794 POPQAPZCYUWEBM-VBKFSLOCSA-N 390.530 3.299 10 40 GGCB CN1C(=O)C(=Cc2ccc3c(c2)Sc2ccccc2N3C)C(=O)N(C)C1=O 409147097 WGAUWOZAALGMBF-UHFFFAOYSA-N 379.441 3.353 10 40 GGCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Cl 409391123 HJVSMQCJQVYSPC-NTEUORMPSA-N 385.807 3.189 10 40 GGCB Cc1ccc(C)c(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)c1 4086777 ZRQAAIXITVBROE-FQEVSTJZSA-N 384.481 3.382 10 40 GGCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3C)C(=O)NC2=S)c1 4742196 NBTFWIGCQZORAG-WQRHYEAKSA-N 396.468 3.234 10 40 GGCB COc1ccc(N2CCN(CCCNc3ncnc4sccc34)CC2)cc1 7366826 FWAKSUNFFPRUPB-UHFFFAOYSA-N 383.521 3.324 10 40 GGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Br)cc1 408913489 LJMVLYBJTLNYJG-RIYZIHGNSA-N 389.180 3.255 10 40 GGCB COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1C(=O)O 33323891 ORCGMXQRBUZCST-GDNBJRDFSA-N 380.356 3.209 10 40 GGCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 13655978 AXIRJHLOCNKGFU-PDGQHHTCSA-N 383.473 3.255 10 40 GGCB CC(=O)Oc1cccc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)c1 5613398 RIAAVASANLLHMN-SOFYXZRVSA-N 391.210 3.380 10 40 GGCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 13483292 QVNFTRJQBGOJLD-LCYFTJDESA-N 377.878 3.225 10 40 GGCB aggregator CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 102187934 MNNWCESDFLWSFC-AZHAFVHUSA-N 391.489 3.489 10 40 GGCB O=C1NC(=S)S/C1=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 6948832 WPFLPLSLABOGIP-SXGWCWSVSA-N 378.482 3.482 10 40 GGCB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 13649676 HLTRSKJQKIFDJR-UHFFFAOYSA-N 389.477 3.372 10 40 GGCB CCOc1ccc(/C=C2/SC(=S)NC2=O)cc1I 408904017 CJDPDWOMNNBQOB-UXBLZVDNSA-N 391.255 3.179 10 40 GGCB Cc1noc2ncc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc12 58426339 FAKYBLANEWRRLU-BETUJISGSA-N 398.438 3.214 10 40 GGCB CCN1C(=O)/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)SC1=S 409375428 KOYYWYKVYHQLSK-UITAMQMPSA-N 389.252 3.284 10 40 GGCB O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 408943926 ZQULEHJHGFBLPJ-UYRXBGFRSA-N 397.862 3.270 10 40 GGCB COCCCN1C(=O)/C(=C\c2c(O)ccc3ccccc23)C(C(=O)OC)=C1C 408895697 VOBQRDFHBOLRNF-AQTBWJFISA-N 381.428 3.255 10 40 GGCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1 223574715 JAIZMBGLGDFQHX-LEWJYISDSA-N 392.528 3.454 10 40 GGCB COCCN1CC=CCC2(CCN(Cc3ccc(N4CCCC4)cc3)CC2)C1=O 19744770 YDPBITKKRMOKIJ-UHFFFAOYSA-N 397.563 3.304 10 40 GGCB Cc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 5164525 VIYDGIPUVMAAGU-XGXACIPPSA-N 395.488 3.017 10 40 GGCB CCOc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 5332906 VFSCLQJXVHXUKQ-WJDWOHSUSA-N 385.807 3.318 10 40 GGCB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(O)ccc3O)=NN12 10214225 MFJCOXNASBANBM-LJQANCHMSA-N 379.460 3.453 10 40 GGCB CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 59109618 VHGALGUEXIANAX-UKTHLTGXSA-N 389.205 3.191 10 40 GGCB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2O)C(=O)N1c1ccccc1 103081400 CDDLFXDKCXDPNN-PCCBWWKXSA-N 386.407 3.443 10 40 GGCB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(N2CCOCC2)cc1 113960123 UFQMUVOFAWKHNQ-LJQANCHMSA-N 384.476 3.006 10 40 GGCB COc1ccccc1N1C(=O)/C(=C2\C(=O)N(C)c3ccccc32)SC1=S 1793667 VUQPARZQMXKXTC-FOCLMDBBSA-N 382.466 3.448 10 40 GGCB COc1ccc(CCN/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 4663960 ALMDQOGCHGBVAM-UYRXBGFRSA-N 380.404 3.042 10 40 GGCB Cc1cccc(COc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2)c1 5755065 VDOCOSSPXWNJIJ-UHFFFAOYSA-N 380.469 3.173 10 40 GGCB CCOc1ccc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 11853440 YOTZPCBGDRHIAI-UHFFFAOYSA-N 397.519 3.036 10 40 GGCB COc1ccc(-c2[nH]nc3nc(-c4ccc(O)c(O)c4)cc(C(=O)O)c23)cc1 20134906 JRDFOXVQOVKHCJ-UHFFFAOYSA-N 377.356 3.410 10 40 GGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 54164366 XFZDIPZMZJLNAI-NVNXTCNLSA-N 382.397 3.474 10 40 GGCB COc1ccc([C@H](CO)N(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 95465495 XTTQHHRGIXJYJJ-FQEVSTJZSA-N 379.460 3.303 10 40 GGCB CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)N2CCCC2)SC1=S 408574795 MTIJDSLKXJBTBD-WJDWOHSUSA-N 390.530 3.297 10 40 GGCB CS(=O)(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 29625079 XIDIVXNYMNZIGM-UHFFFAOYSA-N 375.450 3.211 10 40 GGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OC 408868225 NKEBMGTWIMCMGC-VBKFSLOCSA-N 394.427 3.323 10 40 GGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373864 SZGRDCZXFLFQGQ-GTUWVTDSSA-N 390.280 3.497 10 40 GGCB CCc1cc2c(C)cc(=O)oc2c(CN2CCN(Cc3ccncc3)CC2)c1O 22921837 VJYLCONKZIUKLL-UHFFFAOYSA-N 393.487 3.082 10 40 GGCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(CN2CCOCC2)c1 20106594 UBFMIHLKXJPNNX-UHFFFAOYSA-N 393.531 3.439 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1Cl 5024648 WLXPGQANMVLGGM-ZSOIEALJSA-N 395.802 3.496 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(OC[C@@H](O)Cn3cnc4ccccc43)ccc21 4311059 FYSHUOMEMCKYCI-HNNXBMFYSA-N 398.418 3.252 10 40 GGCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409069462 JBZFRZZNPQYMEI-KNGSKEOJSA-N 399.472 3.395 10 40 GGCB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 217015321 JOSZTJOFHVBGII-IBGZPJMESA-N 381.520 3.139 10 40 GGCB C[C@@H]1CCCN(S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C 4581397 WYBUOSWWGOFHSB-ZIAGYGMSSA-N 383.469 3.271 10 40 GGCB COC(=O)CCCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 1768372 SIONITCHWDHRTM-RVDMUPIBSA-N 395.502 3.335 10 40 GGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccccc1O 15401545 ACFAIFGLJWGVNO-XMHGGMMESA-N 379.485 3.180 10 40 GGCB CC(=O)N1C(=O)/C(=C\c2ccc(I)cc2)SC1=S 408822538 NNRZHNVIGKIUJQ-UXBLZVDNSA-N 389.239 3.039 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1cccs1 409339525 JOCZAMLCWDUZDC-NTUHNPAUSA-N 390.467 3.023 10 40 GGCB CN(C)c1ccc([C@@H]2NC[C@H](CSc3nnc(-c4ccncc4)s3)O2)cc1 55242997 OOBBGTAAIFPBQM-IAGOWNOFSA-N 399.545 3.445 10 40 GGCB Cc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 14011152 KPWDMGLNXXYZBJ-JYRVWZFOSA-N 375.178 3.017 10 40 GGCB CN(C)c1ncnc2c1N=C1CC(C)(C)CC(NCCCC(=O)O)=C1S2 4837433 WSFNMZBBWZWOCD-UHFFFAOYSA-N 375.498 3.207 10 40 GGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccccc2F)cc1 8846232 RWPQIMDLUHLHQO-IBGZPJMESA-N 386.467 3.478 10 40 GGCB COc1cc(NC(=O)c2cccc(Cl)c2)c(N2CCOCC2)cc1OC 15107254 WZQWSTHMAAWTTQ-UHFFFAOYSA-N 376.840 3.446 10 40 GGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S 33863044 RMTBGGGXDKGXOC-GJSJWPQCSA-N 381.475 3.158 10 40 GGCB NC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4F)o3)S2)CC1 46086257 WCFPMCQCAXBFCT-GZTJUZNOSA-N 399.447 3.253 10 40 GGCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1nccs1 35640717 WURJYDRJYBJQON-LUAWRHEFSA-N 379.488 3.356 10 40 GGCB O=C(NCc1ccc(O)cc1O)c1cc(-c2ccco2)nn1-c1ccccc1 1643100818 LPQSUURSZKJCGI-UHFFFAOYSA-N 375.384 3.474 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 19144167 REVCJKXWFYDMKV-BOPFTXTBSA-N 375.384 3.233 10 40 GGCB COc1ccc(N2CCOC[C@@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)cc1 1614930413 QKJITLWEEVIYNV-FQEVSTJZSA-N 376.472 3.033 10 40 GGCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 1018424 IDJOWPHEXISPKE-QGOAFFKASA-N 391.427 3.448 10 40 GGCB COc1cccc2cc(-c3cc(=O)oc4c(CN(C)C)c(O)ccc34)c(=O)oc12 2112880 WGYPLALZMQBKGL-UHFFFAOYSA-N 393.395 3.342 10 40 GGCB biogenic O=[N+]([O-])c1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1 2966018 ZMDAPEKQNCEBEY-GOSISDBHSA-N 390.872 3.419 10 40 GGCB CCNc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 12563549 YLJPYIWEMFEUBC-UHFFFAOYSA-N 398.463 3.135 10 40 GGCB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C 13008195 KFFLFDMYDHILIU-NRFANRHFSA-N 381.520 3.175 10 40 GGCB CC1(C)C[C@]2(C[C@H](c3ccccc3F)c3ccc(O)c(O)c3O2)NC(=S)N1 13571071 LEGCCBSEPHWKRY-ZUOKHONESA-N 388.464 3.494 10 40 GGCB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 15674618 NKQDAFLIQLZIDW-UXHICEINSA-N 378.476 3.034 10 40 GGCB biogenic,in-vitro O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(N2CCOCC2)cc1 161509582 RPZWUUUWCAQFPY-UHFFFAOYSA-N 380.488 3.097 10 40 GGCB COc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)ccc1O 5373051 TXHUETZQVPLIBY-RGEXLXHISA-N 395.484 3.193 10 40 GGCB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(Cl)cc3)nnc2n1 3183102 SVOCAQCBCIZXST-UHFFFAOYSA-N 391.888 3.011 10 40 GGCB CCc1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 59139632 HOEFBCODGAAZSF-UHFFFAOYSA-N 381.501 3.255 10 40 GGCB CC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 57670589 OITPKKAIKLDVDG-OAQYLSRUSA-N 392.507 3.003 10 40 GGCB CCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S 409343419 HINFPAAZQUCLOA-RVDMUPIBSA-N 393.490 3.043 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OC(C)C)c1 408814728 SAHHXGLSPNYLFZ-GZTJUZNOSA-N 394.427 3.457 10 40 GGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 5371707 KIDKMNWRVZKTDM-FNWMBBJUSA-N 379.459 3.229 10 40 GGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1O 408896943 UYJFDWMBDVWVJO-XYOKQWHBSA-N 386.791 3.029 10 40 GGCB CCCCOC(=O)c1ccc(N2C(=O)C/C(=C\c3ccc(O)c(O)c3)C2=O)cc1 9481764 BJBJDFUOVJYLJK-LFIBNONCSA-N 395.411 3.402 10 40 GGCB C[C@H](N/C=C1/C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 2397005 JCMLTNOVOJIXNP-LSVCFVEQSA-N 383.517 3.355 10 40 GGCB COc1ccccc1[C@@H](CNCc1ccc(N2CCOCC2)cc1)N1CCCC1 22924727 STENGRZCXLOTJL-HSZRJFAPSA-N 395.547 3.459 10 40 GGCB COc1ccccc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 48356149 VMDLOPJFZCWPCT-HOTGVXAUSA-N 386.467 3.307 10 40 GGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(Br)ccc1O 6348211 KUVNUKULENJGSH-JYRVWZFOSA-N 380.238 3.236 10 40 GGCB Cn1cccc1/C=C1/C(=O)N(c2ccc(Br)cc2)C(=S)N=C1O 1162869 UTAQJXZNLLVRFC-UKTHLTGXSA-N 390.262 3.459 10 40 GGCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc2ccccc12 408593152 LRZAICIDEWEKTO-WOJGMQOQSA-N 389.411 3.225 10 40 GGCB COc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4)S3)CC2)cc1 4593471 WFZPWBVXZMQYAY-XDJHFCHBSA-N 379.485 3.488 10 40 GGCB O=C1/C(=C/c2ccc3c(c2)OCCO3)C(O)=NC(=S)N1c1ccccc1F 59139121 KFBFMCSQEDUISN-FMIVXFBMSA-N 384.388 3.269 10 40 GGCB CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@@H]32)cc1 96244872 SJNYEJROFDBSRH-NQIIRXRSSA-N 383.923 3.291 10 40 GGCB COc1ccc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc1OC 5371409 KZKZIURZZIQDFF-CDCQXCROSA-N 395.502 3.404 10 40 GGCB C[C@H]1CCCN(S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C 4581399 WYBUOSWWGOFHSB-UONOGXRCSA-N 383.469 3.271 10 40 GGCB COc1ccc(N2CCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)cc1 8028232 JZTNVKXQBJPKST-UHFFFAOYSA-N 394.393 3.442 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1c(C)n(C)n(-c2ccccc2)c1=O 100271302 WIRAHGCXQNQXTF-XMHGGMMESA-N 387.443 3.203 10 40 GGCB CCn1c(C)cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c1C 409019996 LJIIEXWUEVRVKK-RGEXLXHISA-N 395.459 3.150 10 40 GGCB CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1O)C[C@@]2(O)C(=O)O 72333461 BTWFVRWNVOPJJG-HRAATJIYSA-N 397.406 3.244 10 40 GGCB COc1ccc(N2CCN(C(=O)COc3cccc4ccc(C)nc34)CC2)cc1 21585638 ARBDJZAPTDEGLY-UHFFFAOYSA-N 391.471 3.279 10 40 GGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1cccs1 4736922 SZZPSCAOCLVBBA-RGEXLXHISA-N 383.473 3.120 10 40 GGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cl)s2)C1=O 409229832 AFGALDIIZGQIHD-PKNBQFBNSA-N 376.821 3.467 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Cl 4723771 TVJINOJAOASREI-NTUHNPAUSA-N 390.823 3.319 10 40 GGCB CCCOc1cc(OC)ccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408872243 BTAHTSXNYCUQGJ-ATVHPVEESA-N 396.468 3.315 10 40 GGCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)cc1 1833879 SUAYAPAAGSBJKU-DTQAZKPQSA-N 392.546 3.081 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c(OC)c1 17027786 QFIYJAYPQPKUFN-SFQUDFHCSA-N 384.432 3.056 10 40 GGCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c(C)c1 409177037 BGXGWPJOJAJCEB-RQZCQDPDSA-N 398.440 3.390 10 40 GGCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)NC2=S)c1 631924 CXZLDKARDIAXAY-SFQUDFHCSA-N 395.484 3.328 10 40 GGCB CC(=O)Nc1ccc(N/C=C2/C(=O)N=C(S)N(c3ccc(C)cc3)C2=O)cc1 102498672 QWEBZKXPKDSEMV-BOPFTXTBSA-N 394.456 3.108 10 40 GGCB COc1ccc(CN2C(=O)[C@@H](Cc3ccc4c(c3)OCO4)SC2=S)cc1 8117206 SUQFVUGHBPJXKJ-QGZVFWFLSA-N 387.482 3.396 10 40 GGCB CC1=NN(c2ccc(C(N)=O)cc2)C(=O)/C1=C\c1ccc(Br)cc1 12630371 QNRIRGTYFZVPFM-YBEGLDIGSA-N 384.233 3.354 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 409050098 YUHPYGHQQIMGIN-KPKJPENVSA-N 377.183 3.365 10 40 GGCB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 49740498 AQXDBJIJYXBRHW-UHFFFAOYSA-N 390.505 3.173 10 40 GGCB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N(c2ccccc2)C1=O 1192534 DPFDDMBZFSBBPU-CYVLTUHYSA-N 375.428 3.295 10 40 GGCB CC(=O)N1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 5100837 LSURAQPKUHFPIS-UHFFFAOYSA-N 393.852 3.348 10 40 GGCB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)NC1=S 4671894 CFZZUYYZLRYUIE-MHWRWJLKSA-N 386.860 3.176 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 9264418 CEXHIZCRMLJRGM-RGEXLXHISA-N 393.418 3.482 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)COc3ccc(C(N)=O)cc3)c2C)cc1 6290081 KRRLEOJOWFTOOU-UHFFFAOYSA-N 378.428 3.463 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(Cc2ccccc2)c1 16135000 MFWKHGYCRDREJU-UHFFFAOYSA-N 390.487 3.040 10 40 GGCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 16666719 YJQNFJLZUUQYEY-UKTHLTGXSA-N 377.878 3.225 10 40 GGCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC 408874293 AXMKAFUMBDSXOD-VBKFSLOCSA-N 394.427 3.323 10 40 GGCB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 217015368 JOSZTJOFHVBGII-LJQANCHMSA-N 381.520 3.139 10 40 GGCB CCOc1ccc(O)c(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1 12187357 VJHABIVLGDJBNF-UHFFFAOYSA-N 395.463 3.319 10 40 GGCB COc1cc(N/C=C2/C(=O)N(c3nc4ccccc4[nH]3)N=C2C)cc(OC)c1 100430146 QLLUMYBDMKJSED-LFIBNONCSA-N 377.404 3.299 10 40 GGCB CCCN1C(=O)/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S 6656986 IDSICWJRNQLDKL-UKTHLTGXSA-N 384.504 3.290 10 40 GGCB Cc1cc(C(=O)N[C@H](C)c2nc[nH]n2)c(C)n1-c1cccc(Br)c1 72306697 NQODYERALCOUBC-LLVKDONJSA-N 388.269 3.466 10 40 GGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N(C)C 408533776 PCMRFHHJDSCDLF-PTNGSMBKSA-N 390.447 3.361 10 40 GGCB COc1ccc(N2CCN(CCNC(=O)CCSc3ccccc3)CC2)cc1 57003944 ZECLUWZXXZQPHG-UHFFFAOYSA-N 399.560 3.116 10 40 GGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S 33863045 RMTBGGGXDKGXOC-VSXLWIIGSA-N 381.475 3.158 10 40 GGCB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 217033177 UMCAWGGBSZCKGK-IBGZPJMESA-N 381.520 3.139 10 40 GGCB Cc1occc1C(=O)NN1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13691719 MKRLFKWTBZBEQW-OQLLNIDSSA-N 396.453 3.077 10 40 GGCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccccn1 9379092 NHEIXUGIEQRMMA-FPTDNZKUSA-N 394.475 3.173 10 40 GGCB COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c1O 16606837 GLSXZQIIWGZBSO-MRXNPFEDSA-N 387.823 3.321 10 40 GGCB COc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccccc3)C1=O)C(=O)N2 12437002 KPHQLVNKYHYODE-NXVVXOECSA-N 382.466 3.419 10 40 GGCB CCN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 101997576 FJDLKGQIFWRIDC-GUDVDZBRSA-N 399.878 3.272 10 40 GGCB Cc1c(C(=O)N(C)Cc2ccccc2O)sc2nc3n(c(=O)c12)CCCCC3 53914606 HFFDOOFASWEFAR-UHFFFAOYSA-N 397.500 3.471 10 40 GGCB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 54035819 SCAUHEWZNFRCJO-YWZLYKJASA-N 384.501 3.085 10 40 GGCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NC2CC2)cc1 112122910 HZXFKRYGXYASAR-UYRXBGFRSA-N 392.415 3.380 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cn(C)c2ccccc12 7103976 SRYNBAFCQVIWKE-UHFFFAOYSA-N 379.460 3.060 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1F 408962728 TYQCBKAWEVHJFF-FOWTUZBSSA-N 393.349 3.422 10 40 GGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 408897219 IJLSDBOXCRCKNH-GXDHUFHOSA-N 386.791 3.111 10 40 GGCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccc2ccccc12 986678 ALGCHAJBAVNCKT-LDADJPATSA-N 386.363 3.204 10 40 GGCB COc1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 4524366 RMGDLWLGCBCUKX-ALGNWURXSA-N 392.440 3.393 10 40 GGCB Cc1cccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8963339 IKZZSERIBIPVFX-QHCPKHFHSA-N 377.532 3.483 10 40 GGCB COC(=O)C1CCN(C(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)CC1 28242071 QXKWZAXPLHKCLL-UHFFFAOYSA-N 396.487 3.113 10 40 GGCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(C(=O)O)o1 9324349 JOIFCECGHBUWPF-VGOFMYFVSA-N 391.426 3.054 10 40 GGCB Cc1ccc(/C=C2\C(=N)N3N=C(c4ccc5c(c4)OCO5)SC3=NC2=O)cc1 3859232 ANNILFHIGZPQDH-TVJXHFOGSA-N 390.424 3.391 10 40 GGCB O=C(C1=CN(c2cc(F)cc(F)c2)c2ccccc2S1(=O)=O)N1CCCC1 49003775 YWAKVDZTJMLJLR-UHFFFAOYSA-N 390.411 3.354 10 40 GGCB CNC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 44086358 QDNSADNFDMEANL-UHFFFAOYSA-N 382.445 3.345 10 40 GGCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 409070268 NRWNGQJYEBSESK-CSKARUKUSA-N 394.214 3.319 10 40 GGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)NC1=S 409390804 FSKDGFFKWMYFPQ-CXUHLZMHSA-N 387.892 3.394 10 40 GGCB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 408586794 BWTNYPTUZCXOQG-UHFFFAOYSA-N 391.449 3.090 10 40 GGCB CN1C(=O)/C(=C/c2ccc(C(=O)NCCc3ccccc3)cc2)SC1=S 5374702 WKYRMQLPNMJDTE-LGMDPLHJSA-N 382.510 3.490 10 40 GGCB Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1ccc(F)cc1 3477142 ZSKKTOUJVFKILH-UHFFFAOYSA-N 376.391 3.221 10 40 GGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O 409251614 UZJOEXJJUNAJTE-LDADJPATSA-N 381.432 3.183 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)c[nH]1 54017810 XSJIDZCNLURUSY-UHFFFAOYSA-N 387.789 3.454 10 40 GGCB CCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccc(OC)cc2)CC1 57669878 LCNZBVAZKFYHSX-LJQANCHMSA-N 386.544 3.490 10 40 GGCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4O)S3)CC2)cc1 5851654 IFIVLPDHHWWONG-XMHGGMMESA-N 379.485 3.493 10 40 GGCB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2sc(C)c(C)c2c1=O 8774626 AVXWZGRECCMLPX-UHFFFAOYSA-N 390.486 3.481 10 40 GGCB COc1ccc(CN(Cc2ccc3c(c2)CCCN3C)C[C@H](C)O)cc1OC 12147955 ZAKAGJKDCKSWSD-KRWDZBQOSA-N 384.520 3.469 10 40 GGCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(C)C3=O)cc21 208250863 BOYCJEBELILSAJ-SRMXYGTFSA-N 391.924 3.319 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Br)C2=O)cc1 408776061 LMVRLRUXUHPJJH-GXDHUFHOSA-N 385.217 3.424 10 40 GGCB NC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)CC1 1165243 OFLRTEVPMRNJKS-QPEQYQDCSA-N 384.288 3.161 10 40 GGCB COc1ccc(CCN2C(=O)/C(=C\c3cccn3C)SC2=S)cc1OC 5371630 DPFDLWYOOCDURD-SFQUDFHCSA-N 388.514 3.486 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 5796935 BBKAPCZYSBOVHW-NEPJUHHUSA-N 377.462 3.409 10 40 GGCB CN1CCN(C2=NC(=O)/C(=C\c3ccccc3OCc3ccccc3)S2)CC1 23109662 AMIUOCAWWZYPMD-HMMYKYKNSA-N 393.512 3.483 10 40 GGCB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2OC)C1=O 409230832 GCMMIBMGQJCLBO-VVBXCHJUSA-N 376.478 3.367 10 40 GGCB CSc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 4656100 XYUBBVIRGAWUHT-DIQJHTJGSA-N 379.470 3.471 10 40 GGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C[C@H](C)O[C@H](C)C3)c2C)cc1 19902567 FGTGMUKXNIQSMR-IYBDPMFKSA-N 384.476 3.173 10 40 GGCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408591577 IRVABKKQBQFBGL-WOJGMQOQSA-N 395.459 3.369 10 40 GGCB CCN1CCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)CC1 19842461 SHITXLDGTMSDJR-KAMYIIQDSA-N 380.311 3.057 10 40 GGCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 5810742 WFZPWBVXZMQYAY-CYVLTUHYSA-N 379.485 3.488 10 40 GGCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 57117854 SMDXBRINFYVLKM-UHFFFAOYSA-N 389.521 3.143 10 40 GGCB Cc1noc(NS(=O)(=O)c2ccc(/N=N\c3ccc(N)nc3N)cc2)c1C 104090460 SHLWUWRQIAACHI-MRCUWXFGSA-N 387.425 3.067 10 40 GGCB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)NC(=O)NC3CCCC3)c2C)cc1 4297660 GIMYEQQPBYWWOW-UHFFFAOYSA-N 397.475 3.328 10 40 GGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408527353 DIYGJPMRRROKCY-ATVHPVEESA-N 389.459 3.212 10 40 GGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NC12CC3CC(CC(C3)C1)C2 100397195 YQVIMVHDFYMXSP-BOPFTXTBSA-N 399.878 3.365 10 40 GGCB CN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2C)c2cc(Br)ccc21 32518611 IQLBIQRGDRYBLU-GXDHUFHOSA-N 396.244 3.213 10 40 GGCB O=C(NN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)c1ccccc1 1416550 OSAQBMNODGJHOE-UVTDQMKNSA-N 385.426 3.141 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1O 12468336 OKFMNMAPPMJKKH-XNTDXEJSSA-N 396.468 3.239 10 40 GGCB CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nnc(C)s1 44085622 AGKIOCKMNLNLFI-UHFFFAOYSA-N 389.506 3.469 10 40 GGCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)cc1 57669782 MPRLUGVIOOIYFZ-LJQANCHMSA-N 386.544 3.346 10 40 GGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 102415325 JEGBOQVQLTXPBM-XMHGGMMESA-N 392.459 3.420 10 40 GGCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCC[C@H](c2cnccn2)C1 257233888 GREQQTWWJLEJEF-KRWDZBQOSA-N 380.492 3.495 10 40 GGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1cccc(OC)c1 4736901 RSBDQEWOTDDUEQ-QNGOZBTKSA-N 393.443 3.025 10 40 GGCB O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 9118109 AGENZQQSWQZNMN-KPKJPENVSA-N 381.520 3.161 10 40 GGCB COc1ccc(CNC2(Cc3cc(-c4ccc(F)cc4)on3)COC2)c(O)c1 67897873 VAGQLAONRPSTAD-UHFFFAOYSA-N 384.407 3.296 10 40 GGCB biogenic,in-vitro Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)n1-c1ccccc1 223598537 KRAIVAPJHXONNV-VQTJNVASSA-N 378.501 3.146 10 40 GGCB CCOc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1 409020804 UBDSKHIGSUXJCW-CYVLTUHYSA-N 394.427 3.111 10 40 GGCB O=c1[nH]c(/C=C/c2cc(/N=N\c3ccccc3)ccc2O)c([N+](=O)[O-])c(=O)[nH]1 108895567 XZWBHZPQTZBVLQ-BDENMCQESA-N 379.332 3.263 10 40 GGCB CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-] 257347311 DTOKMRPGYNPGPJ-NJVJYBDUSA-N 386.376 3.101 10 40 GGCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 408959769 FQHPHZJEGRJDBV-XDHOZWIPSA-N 393.418 3.401 10 40 GGCB CN1C(=O)C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N(C)C1=O 409244484 DHRYUAYELQEBSE-UHFFFAOYSA-N 391.402 3.263 10 40 GGCB COc1ccc(N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)cc1 55669382 SPLLXBBYSQREJA-UHFFFAOYSA-N 397.500 3.144 10 40 GGCB COc1cc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc(OC)c1OC 2383755 HBWDGIHKLUBCSH-KPENOIPVSA-N 376.478 3.415 10 40 GGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 8744358 XWKCUXNJDHXGFJ-NBVRZTHBSA-N 384.480 3.240 10 40 GGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 32759470 VSNXYNTUAKYJBX-UHFFFAOYSA-N 386.473 3.070 10 40 GGCB Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)NC1=S 409229258 MFPGIILWUJTTKO-GRXZFAKESA-N 391.496 3.449 10 40 GGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1 409144191 NLJGVPNZEHAYPK-LFIBNONCSA-N 396.468 3.152 10 40 GGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408895850 WAQAZQWGRDZAHP-BKAYVGFPSA-N 393.439 3.397 10 40 GGCB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217025769 UTNBKHOQURBTOW-OAQYLSRUSA-N 381.520 3.221 10 40 GGCB CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccc2c(c1)OCCO2 13483281 FMWXTYJZYFHWCZ-UHFFFAOYSA-N 394.427 3.097 10 40 GGCB O=S(=O)(c1ccccc1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 19902828 WFWFWQQKFSRJDR-UHFFFAOYSA-N 382.485 3.052 10 40 GGCB O=C([C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1)N1CCCCCC1 199415370 KDBNCQJNXBAODW-HXUWFJFHSA-N 380.488 3.427 10 40 GGCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408806965 NTKOQJVRFCLYIA-LDADJPATSA-N 394.427 3.459 10 40 GGCB CC(C)(OC(=O)N[C@@H](CC(N)=O)C(=O)O)c1ccc(/N=N\c2ccccc2)cc1 104198887 CYAURHDYGNVMLA-OQTLSSFXSA-N 398.419 3.392 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(SCCO)c([N+](=O)[O-])c1 100367688 OIXAGEBRLFRFSW-LFIBNONCSA-N 383.429 3.485 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/NC23CC4CC(CC(C4)C2)C3)C1=O 6451993 QPCQLMVOQHPHHK-ATVHPVEESA-N 379.460 3.020 10 40 GGCB COc1ccc(-c2cc(CC3(NCc4ccc(OC)cc4O)COC3)no2)cc1 72321955 AUIAZGYZMCTKPV-UHFFFAOYSA-N 396.443 3.166 10 40 GGCB biogenic,in-vitro CCc1c(-c2ccc(F)cc2)nn2c1N[C@@H](c1ccccc1O)C[C@@]2(O)C(=O)O 72333462 BTWFVRWNVOPJJG-IIBYNOLFSA-N 397.406 3.244 10 40 GGCB COC(=O)c1ccccc1Nc1c(-c2ccc(O)c(O)c2)nc2ncccn12 35606441 ZPIJNDKVAHRYTG-UHFFFAOYSA-N 376.372 3.338 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1cccc(Br)c1 5650179 UCUWCWZWEWZPAC-GXDHUFHOSA-N 386.205 3.028 10 40 GGCB CN1C(=O)/C(=C/c2ccc(C(=O)Nc3cccc4nonc34)cc2)SC1=S 8485591 YLJQBSZAVDNQCO-ZROIWOOFSA-N 396.453 3.306 10 40 GGCB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 95481683 SSOPALUMICDVBN-GOSISDBHSA-N 383.561 3.377 10 40 GGCB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(CN2CCOCC2)cc1)C3 20566929 RJKJEGURLWQHPL-UHFFFAOYSA-N 392.455 3.290 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1OCC 1281956 IXHNGBMRZVGOLD-ADVUTCEVSA-N 381.475 3.158 10 40 GGCB CCCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OCC 2811699 OMKHIHZIWSWMEH-NTEUORMPSA-N 381.475 3.160 10 40 GGCB O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 4649234 ZNVJAVUBPXXNQF-UHFFFAOYSA-N 390.351 3.026 10 40 GGCB Cc1cc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccccc1 6647060 FGVLACHKAMFJRW-MDZDMXLPSA-N 387.487 3.246 10 40 GGCB CN(C)c1ccc(/C=C2/C(=O)N(CCc3ccc(F)cc3)C(=O)N=C2O)cc1 8995146 DUOAHXDWDOWUJX-QGOAFFKASA-N 381.407 3.437 10 40 GGCB COc1ccc(N2CCN(CCCNC(=O)c3cccc(C)c3C)CC2)cc1 32765938 GVURMWXMGWIBML-UHFFFAOYSA-N 381.520 3.254 10 40 GGCB COC(=O)c1ccc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 35043234 UATPRTHZCRVKJE-XNTDXEJSSA-N 382.397 3.254 10 40 GGCB CCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(C(=O)OC)=C1C 409195549 JBZSELVMMRHTJZ-QINSGFPZSA-N 389.448 3.185 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)ccc21 36627570 HJZRZERQJCDCQX-IRXDYDNUSA-N 377.396 3.292 10 40 GGCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCOCC2)nc1 223952278 CUVDPEWBZYFRCP-UHFFFAOYSA-N 397.548 3.005 10 40 GGCB Oc1cc2c(cc1[C@H](c1ccc(Br)cc1)N1CCOCC1)OCO2 20728609 AAKIPBIAIDYPLP-SFHVURJKSA-N 392.249 3.305 10 40 GGCB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 641224 VZCYFGBTERWVSY-FQEVSTJZSA-N 394.475 3.418 10 40 GGCB CCc1ccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)cc1 2965913 FYKZUGLIALJPEK-FQEVSTJZSA-N 384.481 3.328 10 40 GGCB Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963393 PBPANHYPCKKJEI-QHCPKHFHSA-N 393.531 3.319 10 40 GGCB CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C(\C)NCc1ccc2c(c1)OCO2 18254540 ZSRKTOKAIMIIFR-XDHOZWIPSA-N 389.415 3.078 10 40 GGCB CC(C)(C)c1cc(CN2CCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 28787260 PGXRPPWEXXRVGS-UHFFFAOYSA-N 382.570 3.064 10 40 GGCB CC(=O)N1CCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 34872561 BNMZBHYHQLVSGG-INIZCTEOSA-N 387.911 3.483 10 40 GGCB O=C(C1=CN(c2ccc(F)c(F)c2)c2ccccc2S1(=O)=O)N1CCCC1 49003773 ODIMIPBGMQHVOV-UHFFFAOYSA-N 390.411 3.354 10 40 GGCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(I)c1 59513114 CIEHGQYHFVQCGO-UHFFFAOYSA-N 384.169 3.045 10 40 GGCB CCc1ccc(-c2noc(CN(CCC(N)=O)c3ccc(OC)cc3)n2)cc1 8705877 BVYRLIKPVSYQJO-UHFFFAOYSA-N 380.448 3.190 10 40 GGCB COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963321 BJDOKFXMOYMSSM-OAQYLSRUSA-N 379.504 3.254 10 40 GGCB Cc1nc(-c2ccc(Cl)cc2)nc2sc(C(=O)N3CCOCC3)c(O)c12 13690477 USCBRVCTWISJSV-UHFFFAOYSA-N 389.864 3.498 10 40 GGCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)s1 147653921 BTZAHSXNAWNKEK-MDWZMJQESA-N 391.246 3.485 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cnc(-c4cccc(F)c4)nc3)CC2)cc1 222625934 MWZPGOBHPDXALE-UHFFFAOYSA-N 392.434 3.254 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408780041 QVEOVXPIHJGWNZ-GZTJUZNOSA-N 394.427 3.377 10 40 GGCB Cc1nn(-c2ccccc2)c(O)c1/C=C1/C(=O)N(C2CCCC2)C(=O)N=C1O 4992967 NEXSASASPMQTOV-LFIBNONCSA-N 380.404 3.131 10 40 GGCB CCCCS(CCCC)=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O 13773563 CUZWJYOXRGMVCW-UHFFFAOYSA-N 394.512 3.488 10 40 GGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 6242022 GEFAKOINLUQPLO-PTNGSMBKSA-N 385.807 3.200 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)cc1 53637406 YSWVITAEPXFJBO-UHFFFAOYSA-N 376.460 3.152 10 40 GGCB Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 59109593 UXDURWMCGLVZHI-UHFFFAOYSA-N 385.851 3.490 10 40 GGCB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)ccc21 6925483 HHWQBLIQMIOLHF-LFIBNONCSA-N 381.482 3.283 10 40 GGCB CN(C)C(=O)c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 225425722 DPFXQSFKRYJGKD-UHFFFAOYSA-N 382.533 3.475 10 40 GGCB C[C@H]1[C@H]2C=C[C@@H]1[C@H](C(=O)O)[C@@H]2c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 5030656 BSAMRWOMXJWVCE-XBNVSQACSA-N 394.379 3.251 10 40 GGCB in-vitro COc1ccc(OC)c(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)c1 17041162 FDRMHBSOGZLCMN-NRFANRHFSA-N 385.509 3.183 10 40 GGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccccc2F)cc1 8846233 RWPQIMDLUHLHQO-LJQANCHMSA-N 386.467 3.478 10 40 GGCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 12846696 DPRVPGRUJMZEOE-UHFFFAOYSA-N 395.289 3.166 10 40 GGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)no3)c2C)cc1 6831484 NZVPIIZVVSYYRM-UHFFFAOYSA-N 396.399 3.217 10 40 GGCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 409338104 DBZNEMONIPCRBL-CEITULEQSA-N 381.475 3.158 10 40 GGCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223541326 MYOOVAQZCDTARJ-RKPNYOAGSA-N 385.533 3.444 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COc3c(C)cc(C)cc3C)CC2)cc1 20807144 XNNUCFARPYMRBC-NRFANRHFSA-N 384.520 3.182 10 40 GGCB CC(=O)[C@H](C)S[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 79001609 QELLUTZSFVQSJA-STQMWFEESA-N 381.453 3.500 10 40 GGCB CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 97026418 DTHKGWWHSBXNFD-WQLSENKSSA-N 399.335 3.177 10 40 GGCB O=C1N=C(O)/C(=C\NCc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Cl)c1 103114253 JXBBCWKOZOBZGX-NTEUORMPSA-N 399.790 3.166 10 40 GGCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 4696421 BVKIZBQXAPKJRS-RGEXLXHISA-N 391.423 3.300 10 40 GGCB Cc1cc(C(=O)COC(=O)[C@@H]2COCCO2)c(C)n1-c1ccc(F)c(Cl)c1 46306761 JBAHBVZMAQYBAP-SFHVURJKSA-N 395.814 3.028 10 40 GGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 5569768 SDDRNIXAPIHVSB-XGICHPGQSA-N 377.183 3.184 10 40 GGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)c1 1438509 YQCFWMAOHYMBJP-GZTJUZNOSA-N 394.427 3.295 10 40 GGCB COc1ncccc1CNC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 30304096 ZLAYOCNJLWHDOH-UHFFFAOYSA-N 393.443 3.199 10 40 GGCB Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1C 111505521 CEULHPJEPOEZGH-CXUHLZMHSA-N 388.265 3.497 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 408892730 CCDYPQPRQIEMNJ-VGOFMYFVSA-N 386.791 3.029 10 40 GGCB COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 40104175 DZYANWNJYNLUCJ-UHFFFAOYSA-N 391.374 3.371 10 40 GGCB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)c1 79075840 WAUKEDMKJHQSBG-UHFFFAOYSA-N 389.351 3.307 10 40 GGCB CN1CCCc2cc([C@H](CNC(=O)C3CCCCC3)N3CCOCC3)ccc21 21886920 WIIZQHBASYIUDZ-QFIPXVFZSA-N 385.552 3.139 10 40 GGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N(CC)CC)o2)C1=O 409223259 DZRLRBZEUIOTPK-FYWRMAATSA-N 397.431 3.191 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)cc1Cl 409244613 GFRGBOQALFQDSA-UKTHLTGXSA-N 389.864 3.139 10 40 GGCB COc1cc(OC)cc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)c1 19881300 KKWUFISQHWZKIE-UHFFFAOYSA-N 397.427 3.219 10 40 GGCB COc1ccc(-c2cc3ccc(O)c(CN4CCOCC4)c3oc2=O)c(OC)c1 20612251 LPENLMIBMDGUOZ-UHFFFAOYSA-N 397.427 3.015 10 40 GGCB biogenic COC(=O)c1cccc(N/C=C2\C(=O)N(C3CCCCCC3)C(=O)N=C2O)c1 103121842 UVGOMUNBVYGUSM-VBKFSLOCSA-N 385.420 3.411 10 40 GGCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1Cl 104204114 QDFFKVRACYGSJQ-YISVQYQQSA-N 386.755 3.154 10 40 GGCB O=C1CCCN1CCCNCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 13624339 IBEAFUCNKOQMMX-UHFFFAOYSA-N 392.455 3.268 10 40 GGCB O[C@@]1(c2ccccc2OC(F)F)CN(c2ccccc2)C2=[N+]1CCCS2 27525112 JISPRYIOYPLTGN-LJQANCHMSA-N 377.436 3.459 10 40 GGCB COc1ccc(CC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963201 UZAZRNIBXYQQRG-HSZRJFAPSA-N 393.531 3.183 10 40 GGCB O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccncc1 4942280 JCKUCZOOEHAAGF-DHDCSXOGSA-N 380.454 3.109 10 40 GGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1Br 408908115 AYYNXGJBXHVHOB-MDWZMJQESA-N 389.180 3.255 10 40 GGCB COCCN1C(=O)[C@H](Cc2cc(Cl)cc(Cl)c2OC)SC1=S 8104593 VYPYZESHCJUPCT-NSHDSACASA-N 380.318 3.420 10 40 GGCB COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)nc12 6660967 FMGYNLUSMPJGRX-SDQBBNPISA-N 394.861 3.183 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)COc3ccccc3)N3CCCCC3)ccc21 13007677 OPEUIHJIKIRMCX-HSZRJFAPSA-N 393.531 3.401 10 40 GGCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1\SC(=S)N(C)C1=O 54361160 CACMDKKJASAVNO-JYRVWZFOSA-N 376.459 3.184 10 40 GGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc2c(cc1Br)OCO2 58865719 XLXZCVGOJRERTF-UHFFFAOYSA-N 395.205 3.322 10 40 GGCB COc1ccccc1NC(=O)C[C@@H]1SC(=S)N(Cc2ccccc2)C1=O 9189417 YSVICYUBDPIMGN-INIZCTEOSA-N 386.498 3.453 10 40 GGCB Cc1cc(C)c(NC(=O)CN(C)Cc2cc(=O)oc3cc(O)c(O)cc23)c(C)c1 12988413 FXYMSYCVSVQRBA-UHFFFAOYSA-N 396.443 3.200 10 40 GGCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S 1809399 OYGGZDQVQNPRQB-GDNBJRDFSA-N 395.502 3.248 10 40 GGCB Cc1ccc(N2C(=O)/C(=C\N[C@@H](C)c3ccccc3)C(=O)NC2=S)cc1C 101079430 FKCVYLTWMXLAMJ-BRYHAGSVSA-N 379.485 3.286 10 40 GGCB O=C(C1CC1)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 23732264 RQHAMDHACMEUIP-UHFFFAOYSA-N 389.293 3.362 10 40 GGCB COc1ccc(N2CCN(C(=O)CCCc3nc(-c4ccco4)no3)CC2)cc1 20894314 YXWBMCNPIKSZRH-UHFFFAOYSA-N 396.447 3.010 10 40 GGCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1CN1CCOCC1 6489737 ISMVZPAOMYSLSV-RCCKNPSSSA-N 391.471 3.334 10 40 GGCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1C 6507428 YDPMOZPLYCCSIS-JTQLQIEISA-N 378.519 3.389 10 40 GGCB CCOC(=O)c1cccc(NC(=S)NCCN(C)c2ccc(OC)cc2)c1 225798718 DJRAREYVBICGRZ-UHFFFAOYSA-N 387.505 3.295 10 40 GGCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2)CC1 225776473 NZAPTFIIJAYKBY-UHFFFAOYSA-N 376.476 3.203 10 40 GGCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 409097325 GJDSRHVMWYUSOT-SEJMYLSOSA-N 392.452 3.414 10 40 GGCB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 216945969 OTYAQTFDYHQCFZ-INIZCTEOSA-N 387.911 3.176 10 40 GGCB COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 95997432 RDUGKLRSOSJITE-UHFFFAOYSA-N 376.217 3.286 10 40 GGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225195393 GOLWVCPWPXCMSD-UHFFFAOYSA-N 377.466 3.228 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409213448 VIXQEUCSZIRFRS-RIYZIHGNSA-N 385.763 3.223 10 40 GGCB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C 15227164 WWCKREVZPQEIEF-BOPFTXTBSA-N 380.444 3.371 10 40 GGCB Cc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22417545 QYKKDXBZLJNSFK-QFIPXVFZSA-N 395.551 3.171 10 40 GGCB CO[C@@H]1OC[C@@H](N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 4934374 LDKUKCNTXKOLMH-WOCWXWTJSA-N 397.387 3.119 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)S1 409078518 IPAXEGZODBQRRR-LICLKQGHSA-N 396.424 3.070 10 40 GGCB CN1C(=O)C(=Cc2cccc(OCc3ccccc3F)c2)C(=O)N(C)C1=S 408964334 GERCBVLGENKYHH-UHFFFAOYSA-N 384.432 3.003 10 40 GGCB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1C 217025505 PAOHAUHVGQCHHP-LJQANCHMSA-N 381.520 3.139 10 40 GGCB Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 1094374 XYVLAWQYIFKOLS-LGMDPLHJSA-N 393.418 3.401 10 40 GGCB Cc1cc(O)ccc1NS(=O)(=O)c1ccc(I)cc1 226855166 MFJKNIJNTJYSAK-UHFFFAOYSA-N 389.214 3.106 10 40 GGCB CC[C@H](C)N1C(=O)/C(=C\N2CCN(Cc3ccccc3)CC2)SC1=S 20648471 CBWOXECVVCPDPC-JEFCNZTNSA-N 375.563 3.304 10 40 GGCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C(O)=NC2=S)cc1 849715 MFDCLLYSTDRXNM-XNTDXEJSSA-N 398.440 3.384 10 40 GGCB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 5392680 LGWMXHLPQXOYDQ-UHFFFAOYSA-N 394.518 3.315 10 40 GGCB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n[nH]2)cc1 15680541 FBPYXNFPPZPECG-UHFFFAOYSA-N 392.459 3.056 10 40 GGCB Cc1cc(=O)n2nc(CN3CCCc4cc(OC(F)(F)F)ccc43)sc2n1 29923764 TZADSXSOBAOJGA-UHFFFAOYSA-N 396.394 3.311 10 40 GGCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(CC)c3C)C(=O)NC2=S)c1 409108064 VISYFUCJCIAYJX-WOJGMQOQSA-N 397.500 3.355 10 40 GGCB CC(=O)Oc1c2c(c(OC(C)=O)c3c1C(=O)c1ccccc1C3=O)CCCC2 4994943 SBTDDZZYALUTIF-UHFFFAOYSA-N 378.380 3.191 10 40 GGCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCCCC1 24874911 FWPZAZGQLVSEMU-UHFFFAOYSA-N 387.505 3.446 10 40 GGCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 409001162 UZFKKQWIEIKJMX-UHFFFAOYSA-N 378.215 3.150 10 40 GGCB Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c3ccccc32)c1 408912414 FYPLRNVTOKFGSD-WOJGMQOQSA-N 389.480 3.255 10 40 GGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccccc1O 19842247 ACFAIFGLJWGVNO-RGEXLXHISA-N 379.485 3.180 10 40 GGCB COc1ccc(OC)c(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)c1 1264130 YPQZINFTUPHPCQ-MHWRWJLKSA-N 384.363 3.345 10 40 GGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2COc3ccccc3O2)cc1 9338758 PXXUEQXBJHRGJF-DENIHFKCSA-N 396.487 3.100 10 40 GGCB Cc1ccc(NC(=O)NC2=NN(c3ccccc3)C(=O)/C2=C2/CCCN2C)cc1 3369701 CHEDPJDTJOZOCZ-HNENSFHCSA-N 389.459 3.457 10 40 GGCB Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCN(C(=O)C4CC4)CC3)c2C)cc1 9118123 BEZPOGNDRWVJLE-DHZHZOJOSA-N 391.515 3.497 10 40 GGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc(Cl)ccc1O 5569762 FFLBCQUJELFQLM-WQLSENKSSA-N 392.198 3.278 10 40 GGCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 409013144 SZWHCQJTSTUZJG-PDGQHHTCSA-N 379.485 3.201 10 40 GGCB CCc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1 4725189 MUCCFVSNZAQUEW-ZROIWOOFSA-N 386.860 3.439 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N(C)C)ccc21 8963114 LPGCEBMQFPTMSH-HNNXBMFYSA-N 392.297 3.067 10 40 GGCB COc1ccc(N2CCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)cc1 12554687 LWGWDFYMZJEMDK-UHFFFAOYSA-N 384.501 3.134 10 40 GGCB CCCNC(=O)C1CCN(Cc2c(O)c(C(=O)OC)cc3ccccc23)CC1 24990955 SVPVRFFQWNWVGO-UHFFFAOYSA-N 384.476 3.070 10 40 GGCB Cc1c(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(=O)oc2c(O)c(O)ccc12 100787984 UBHNQTCRMPUFPX-DMZKTXOQSA-N 385.460 3.482 10 40 GGCB biogenic CCOC(=O)c1c(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)sc(C)c1C 408817801 OAOCECPAXPXHNR-ZSOIEALJSA-N 387.461 3.129 10 40 GGCB N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(Cc3cccs3)=NN12 3890313 KRYLVELGESDNMK-ZXIDBPLNSA-N 396.453 3.339 10 40 GGCB CN(C)c1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 5097918 PVRNLIODTFSKRK-FQEVSTJZSA-N 382.464 3.228 10 40 GGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 103916930 NPDMUXNIDYTVCE-UYRXBGFRSA-N 380.404 3.129 10 40 GGCB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 217033214 UMCAWGGBSZCKGK-LJQANCHMSA-N 381.520 3.139 10 40 GGCB COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(OC)c1C 409078856 ILZJKUUSXIXDDD-GRRFOWRYSA-N 379.503 3.392 10 40 GGCB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C(C)C)ccc3O)CC2)cc1 19313364 IYJLDWAHRRCHFK-UHFFFAOYSA-N 388.533 3.331 10 40 GGCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1nccs1 4263552 WURJYDRJYBJQON-PKNBQFBNSA-N 379.488 3.356 10 40 GGCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c([N+](=O)[O-])cc1OC 409030657 HJFHQJQUTAJYHE-NSIKDUERSA-N 382.463 3.469 10 40 GGCB Nc1c(Cl)cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1Br 1084788 OSXUPHSAHJXIRH-UHFFFAOYSA-N 396.584 3.394 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1OC 4703314 WRWDHQCGQAVXQM-ZRDIBKRKSA-N 386.791 3.024 10 40 GGCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)CC1 32956482 CRDHZZVCFRHZLJ-UHFFFAOYSA-N 395.503 3.298 10 40 GGCB COc1ccc(N2CCN(CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 56997168 XWVJRONPKFVKLL-UHFFFAOYSA-N 397.563 3.150 10 40 GGCB CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)N3CCCC3)c2)SC1=S 408578814 ZLAUEFFMBKEFGI-WJDWOHSUSA-N 390.530 3.297 10 40 GGCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)OC 4698988 VDTAXQMQTUXGKV-PDGQHHTCSA-N 394.427 3.443 10 40 GGCB Cc1cc(C(=O)CN(C)S(=O)(=O)c2cccs2)c(C)n1-c1ccccn1 12596117 NVCHBVBXAPIXBD-UHFFFAOYSA-N 389.502 3.054 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409069455 JBZFRZZNPQYMEI-DWKHYPNZSA-N 399.472 3.395 10 40 GGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N(C)C)cc2)C1=O 409211592 LUSSUBFBHQYJRE-RVDMUPIBSA-N 383.835 3.381 10 40 GGCB Cc1cccc(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2SCCC3)c1C 4086767 JYGDXYZIISFLST-QFIPXVFZSA-N 397.520 3.245 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC 6354949 PEBPUUXROZBWRF-RVDMUPIBSA-N 380.400 3.069 10 40 GGCB Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 6369992 NFNXUDGAOCDLNB-LICLKQGHSA-N 376.372 3.087 10 40 GGCB Nc1c(NC2CCCCC2)cc(NCCO)c2c1C(=O)c1ccccc1C2=O 6662546 FDQHFWPNVZAHHR-UHFFFAOYSA-N 379.460 3.193 10 40 GGCB O=C(O)[C@H](Cc1ccccc1)NCc1c(O)ccc2c1oc(=O)c1ccccc12 28120335 WSAMWULVMMTURK-IBGZPJMESA-N 389.407 3.437 10 40 GGCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1N1CCOCC1 409076198 ZKWYAKRBCKUVIN-CPNJWEJPSA-N 395.434 3.064 10 40 GGCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3ccc(O)nc3)cc2)s1 104124322 MGLZJGJFDDERIS-ZCXUNETKSA-N 376.423 3.163 10 40 GGCB CN1CCCc2cc([C@H](CNC(=O)c3ccccc3F)N3CCOCC3)ccc21 13008301 BUDZQTZEABYLGD-QFIPXVFZSA-N 397.494 3.011 10 40 GGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 1186606 VVPAYPVCGPQHJM-AQTBWJFISA-N 375.359 3.283 10 40 GGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 4526193 RUYMGEFYPNPAAO-HYLYESJESA-N 397.774 3.471 10 40 GGCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 5351688 VLCRZRLOWXCGKH-AAWPKVBNSA-N 387.438 3.125 10 40 GGCB CC(C)c1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 5374246 IWMBJDCNVCGAIG-CKXDQPNJSA-N 393.486 3.329 10 40 GGCB Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C(=O)C4CC4)CC3)c2C)cc1 35286743 VMPBHZGPCVQSLJ-UHFFFAOYSA-N 379.504 3.139 10 40 GGCB Cc1cc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1F 58046108 BXBDQZGRQBSTQG-YESZJQIVSA-N 387.499 3.461 10 40 GGCB Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 13766326 PNLSSMXWJHOOTL-JYRVWZFOSA-N 375.178 3.017 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc12 409394310 YLPDPJPRQSORPH-QGOAFFKASA-N 387.395 3.300 10 40 GGCB Cc1cccc(C(=O)NN2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)c1 5552974 ZOLZZHLNZYVSLE-YBEGLDIGSA-N 382.466 3.354 10 40 GGCB CCc1ccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)cc1 2684415 METSKVZPIRYVNF-FQEVSTJZSA-N 384.481 3.328 10 40 GGCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)cc1 13569378 XHAJRBCBHKSKAL-UKTHLTGXSA-N 389.205 3.271 10 40 GGCB c1cc(NCc2ccc(N3CCOCC3)cc2)cc([C@@H]2CCc3nncn3C2)c1 19699084 FDLACULBQRQMAD-HXUWFJFHSA-N 389.503 3.457 10 40 GGCB CCN(CC)c1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c(OC)c1 409074422 ZJSYHLOIJMRVLD-HMHNVIDESA-N 392.477 3.139 10 40 GGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)cc1 1862179 QAEICCPXVJWFTJ-JYRVWZFOSA-N 376.484 3.294 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC 408804858 BVEFOYBFNZRDIS-FMIVXFBMSA-N 386.791 3.024 10 40 GGCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 3388142 VESXSOROGKBYTH-OQLLNIDSSA-N 384.417 3.099 10 40 GGCB COc1ccc(N2N=C(C)/C(=C(\C)NCCSCc3nc[nH]c3C)C2=O)cc1 17081753 XREPQASSAJXYAT-RGEXLXHISA-N 399.520 3.246 10 40 GGCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1CCCN1CCOCC1 20265266 DSTNUGUBMQHSBX-ATVHPVEESA-N 387.530 3.091 10 40 GGCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(CC)C3=O)c2c1 59109651 NFQJLTFGKAERSK-SFQUDFHCSA-N 382.416 3.119 10 40 GGCB Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=C1C(=O)OC(C)(C)OC1=O 12893162 VBNXTAFTDGZALK-UHFFFAOYSA-N 381.432 3.000 10 40 GGCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(C)cc34)CC2)cc1 20717617 KILTZWTXWBTCEG-OAQYLSRUSA-N 379.460 3.433 10 40 GGCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCCO2 6496374 KHRKIXICERUVML-UHFFFAOYSA-N 385.375 3.486 10 40 GGCB COc1cccc(-c2cc3ccc(O)c(CN4CCC[C@H]4C(=O)O)c3oc2=O)c1 57312361 WYVKCXBDJQLJMD-SFHVURJKSA-N 395.411 3.223 10 40 GGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1O 13809894 PJYLRQZQSXKTMC-QPEQYQDCSA-N 386.791 3.029 10 40 GGCB CCOC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 73043911 UKZSZGMUHWCGJX-MSOLQXFVSA-N 375.513 3.042 10 40 GGCB CCOc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1O 41076780 TVNDZDVFKKGPLI-FPGBZSMLSA-N 382.401 3.051 10 40 GGCB COc1ccc(N2N=C(C)/C(=C/Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)cc1 100958978 ZTGBWBDTFSSJMC-YVLHZVERSA-N 397.347 3.230 10 40 GGCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)cc1 2372945 DOPINQSSHHLLDA-WNMDJLCMSA-N 379.445 3.352 10 40 GGCB CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665406 BZIGSEDGWRWARK-JOCHJYFZSA-N 380.536 3.142 10 40 GGCB C[C@@H](NC(=O)c1cc2c(nc1N)CCN(C)C2)c1ccc(N2CCCCC2)cc1 19700651 ADSLVLABDNBTBL-MRXNPFEDSA-N 393.535 3.133 10 40 GGCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cccc(O)c4)S3)CC2)cc1 9188212 PBKBFYKHLHBVPT-RGEXLXHISA-N 395.484 3.193 10 40 GGCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)CC1 32956443 SPXZCFWXBAKWMZ-UHFFFAOYSA-N 395.503 3.496 10 40 GGCB O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccccc1Cl 5128945 JGSGNJFMHFRFTB-MDWZMJQESA-N 375.862 3.281 10 40 GGCB CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)cc4)coc23)CC1 20437139 VOBZFIRTULLBNJ-UHFFFAOYSA-N 394.471 3.312 10 40 GGCB biogenic CCN1C(=O)[C@@H](Cc2cc(Br)c(OC)c(OC)c2)SC1=S 6952968 HOXUVAXJKUEQGV-LLVKDONJSA-N 390.324 3.258 10 40 GGCB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(O)cc3)C[C@@H]21 10214578 UMSODDDYTGORMH-IBGZPJMESA-N 379.460 3.366 10 40 GGCB COc1ccc(-n2c(C)cc(CN3C[C@H]4CCCN4C[C@@H]3CCO)c2C)cc1 19567539 XZZUFNMDXRNGBQ-YADHBBJMSA-N 383.536 3.134 10 40 GGCB Oc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1O 35606468 MLSXEKQQKBPFET-UHFFFAOYSA-N 376.372 3.322 10 40 GGCB O[C@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 2921880 CWKKPPADRMBSBL-IBGZPJMESA-N 377.436 3.459 10 40 GGCB CCc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 4674723 NIRQNFRTJJOLLE-UHFFFAOYSA-N 381.501 3.255 10 40 GGCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 409399603 KKKFLCBZJHUJCC-PDGQHHTCSA-N 388.379 3.415 10 40 GGCB COc1ccc(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1 43272539 AZJHIJYMLJUQDP-UHFFFAOYSA-N 382.432 3.018 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OC 408785054 FPIFIOIZIFCKND-GZTJUZNOSA-N 394.427 3.377 10 40 GGCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(O)cc1 409238363 NFEJQOSBYDANBN-RIYZIHGNSA-N 392.358 3.242 10 40 GGCB Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)c1Cl 218923229 CKDHRYNQBDYAPE-UHFFFAOYSA-N 388.895 3.489 10 40 GGCB Cc1cc(N2CCOCC2)ccc1/C=C1/NC(Nc2cccc(C)c2C)=NC1=O 17079659 CPEQKISIEJJBIJ-KGENOOAVSA-N 390.487 3.387 10 40 GGCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5374302 LZDOGDDNDUENOV-KTDJGDANSA-N 379.459 3.116 10 40 GGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 5024720 YBJUKZQNXOYFQK-YBEGLDIGSA-N 380.331 3.341 10 40 GGCB Cc1ccc(C)c(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 48365523 BUEMXBWQRZZWBP-UHFFFAOYSA-N 382.504 3.207 10 40 GGCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)CC1 4602318 MFEWZGJBYJFDKW-QGOAFFKASA-N 381.457 3.081 10 40 GGCB Cc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc2c1O[C@H](C)C2 12062565 HLUARHNHXQOLRG-RLIURORJSA-N 377.487 3.384 10 40 GGCB COc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 24208036 SMDLEDPHMJXWDI-UHFFFAOYSA-N 395.503 3.074 10 40 GGCB Cc1nn(C)c(C)c1NC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21 29923582 CFSGBBHERDSECG-UHFFFAOYSA-N 382.386 3.327 10 40 GGCB Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)NC1=S 409247993 JGDDSKFUABFSNA-UJHPFZFGSA-N 393.424 3.291 10 40 GGCB COc1ccc([C@@]2(O)CN(c3ccccc3OC)C3=[N+]2CCCS3)c(F)c1 4086740 IZNCSXPSXNRJHV-FQEVSTJZSA-N 389.472 3.014 10 40 GGCB CCC[C@@H]1NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(OCC)cc3)c2C)C1=O 14345109 TYDQIUAZGHBFGQ-IBGZPJMESA-N 397.475 3.396 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COc3cccc4ccccc34)CC2)cc1 16953922 LBRVDSGNTWYRRL-NRFANRHFSA-N 392.499 3.410 10 40 GGCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)cc1 4746500 OWRDLBXHQANDPZ-DHZHZOJOSA-N 377.183 3.365 10 40 GGCB Cc1c(CC(=O)NCCc2ccc(Cl)cc2)c(=O)oc2c(O)c(O)ccc12 5346585 AKJHYTDJGVJYHD-UHFFFAOYSA-N 387.819 3.067 10 40 GGCB O=C1[C@H](Cc2cc3c(cc2Cl)OCO3)SC(=S)N1Cc1cccnc1 6970944 VGTIKCLTURQWCY-HNNXBMFYSA-N 392.889 3.435 10 40 GGCB Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 12522364 CMTMRDAPHMUXBY-UHFFFAOYSA-N 391.830 3.400 10 40 GGCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCCCC1 98003871 KFLQLKLTHJAKCM-NTCAYCPXSA-N 378.494 3.430 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCCC3)C2=O)cc1 4159122 DFVMNKLZXASBRL-VBKFSLOCSA-N 390.530 3.299 10 40 GGCB CN1N=C(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)CCC1=O 10913691 MICWZRLYTPDQCA-QFIPXVFZSA-N 387.439 3.359 10 40 GGCB Cc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 14010808 FOHYAUNVHZJGAW-GDNBJRDFSA-N 385.217 3.424 10 40 GGCB COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 409237600 KCAYOGLIIPUZLB-NQLWTVTNSA-N 378.453 3.391 10 40 GGCB COC(=O)c1sc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1Cl 53574113 HNOOMTPUTSMSHR-UHFFFAOYSA-N 399.875 3.295 10 40 GGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2COc3ccccc3O2)cc1 9338755 PXXUEQXBJHRGJF-UGKGYDQZSA-N 396.487 3.100 10 40 GGCB CCN(CC)c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 223168816 SCJAHNOLHNLSGV-UHFFFAOYSA-N 377.466 3.228 10 40 GGCB Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1C 22589252 YLVMZEJOBLZULE-QHCPKHFHSA-N 394.563 3.088 10 40 GGCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 20030459 GCSDDPRIZUYDLR-MHWRWJLKSA-N 381.388 3.114 10 40 GGCB Cc1csc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)n1 4745531 FORYBIXIEWKUAG-YRNVUSSQSA-N 379.488 3.275 10 40 GGCB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 20458463 YMQMIXIOKBELKH-NRFANRHFSA-N 384.476 3.210 10 40 GGCB O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCn2c(cnc2C(F)(F)F)C1 95993237 VDACARJYBMAAQT-CYBMUJFWSA-N 393.409 3.365 10 40 GGCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C(C)C)CC2)cc1 35289883 WQZILHHWIRUVGI-NRFANRHFSA-N 392.507 3.174 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NC3CCCC3)C2=O)cc1 4159119 HZHPOYHQSSEBHK-WJDWOHSUSA-N 390.530 3.345 10 40 GGCB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)c(C)cc2N)c1 2434663 JGDZZTQIWBQGFL-UHFFFAOYSA-N 388.471 3.202 10 40 GGCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 6166099 YTWCEHAHRLGGQB-XNTDXEJSSA-N 388.445 3.381 10 40 GGCB COc1ccccc1/C=C1\SC(N2CCN(Cc3ccccc3)CC2)=NC1=O 13547690 OZXQOWHOABZEPV-HKWRFOASSA-N 393.512 3.483 10 40 GGCB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 5098127 XLZMVMRYSNWJQJ-FQEVSTJZSA-N 397.519 3.093 10 40 GGCB Cc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 16838267 FFXKQKPLYHMKEO-HSZRJFAPSA-N 393.531 3.181 10 40 GGCB Cc1ccn2c(=O)cc(COC(=O)c3sc4nc(C)cc(C)c4c3N)nc2c1 40033882 ZTLFKTNZMRTDAH-UHFFFAOYSA-N 394.456 3.169 10 40 GGCB Cc1ccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)c([N+](=O)[O-])c1 5376258 AWOIUAHFPNMPHE-GZTJUZNOSA-N 399.428 3.466 10 40 GGCB CN(C)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 12564849 KHOJANYLIIXBAZ-UHFFFAOYSA-N 378.451 3.496 10 40 GGCB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 95481682 SSOPALUMICDVBN-SFHVURJKSA-N 383.561 3.377 10 40 GGCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccnc1 408858989 UVJLIHAMEROOCJ-JXMROGBWSA-N 378.240 3.220 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1F 12555643 PJZUGOOUKBWBJU-UHFFFAOYSA-N 398.887 3.136 10 40 GGCB CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCN(c2ccc(OC)cc2)CC1 57669921 UBZNMDAQNCJRSK-IBGZPJMESA-N 386.544 3.346 10 40 GGCB COc1ccc(CN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 103916287 IUURIEURULKZMW-UYRXBGFRSA-N 380.404 3.390 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@H](C)CC(C)(C)C3)CC2)cc1 55501560 UBJHMGJIUMQJAG-CZTZKLFOSA-N 390.568 3.410 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)o1 204986741 SIYQYJCADBCMMG-FOWTUZBSSA-N 383.473 3.266 10 40 GGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc(Cl)ccc1O 6093146 WODNRBVYPNRRNY-WQLSENKSSA-N 392.198 3.278 10 40 GGCB COc1ccc(-n2nnnc2CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 9571378 WDSISZRZXMTORE-UHFFFAOYSA-N 380.452 3.290 10 40 GGCB CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 13615133 GKBMQZQXDJNKBW-ATVHPVEESA-N 397.525 3.228 10 40 GGCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/C=C/c1ccco1 408967811 VBHRATNWVLYXRT-MPQOSVQESA-N 376.796 3.460 10 40 GGCB CCOC(=O)C1=C(CSc2nccs2)NC(=O)N[C@H]1c1ccccc1 52913896 FHIQIEABTXIENT-AWEZNQCLSA-N 375.475 3.107 10 40 GGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 8846032 RLDJPHWGAICMOE-HXUWFJFHSA-N 383.448 3.482 10 40 GGCB CCc1ccc2c(O)c3c(cc2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O 4545363 SWZNKLXSZNIIDS-UHFFFAOYSA-N 376.364 3.375 10 40 GGCB biogenic O=[N+]([O-])c1c(NCc2ccc(N3CCC(CO)CC3)cc2)nc2ccccn12 52446595 VEIDTWVHOLJIQT-UHFFFAOYSA-N 381.436 3.063 10 40 GGCB COc1ccc(N2CCN([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 57363715 YXIHFZNSUALXFQ-QZGUCNERSA-N 397.563 3.291 10 40 GGCB CN(C)c1ccc(C2=NC3=S=C(c4ccc(N(C)C)cc4)C(=O)N3C=C2)cc1 409415780 AXSZLMWIHXXPJO-UHFFFAOYSA-N 390.512 3.019 10 40 GGCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 408945352 WGNJLOUCAZBUJE-FOWTUZBSSA-N 395.371 3.050 10 40 GGCB Oc1ccccc1CN1CCN(c2ccccc2[C@H](O)c2cccnc2)CC1 72340639 PLTIHTHBEHEUMY-HSZRJFAPSA-N 375.472 3.191 10 40 GGCB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 217032704 VBQDWQSQDQOHPV-IBGZPJMESA-N 381.520 3.139 10 40 GGCB COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 5098126 XLZMVMRYSNWJQJ-HXUWFJFHSA-N 397.519 3.093 10 40 GGCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)cc(Cl)c1O 1146096 GFNICCOJYANDNN-NTUHNPAUSA-N 376.771 3.045 10 40 GGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cccs3)C2=O)c1 4704515 MNKRUPRHQSKZBO-KAMYIIQDSA-N 386.429 3.212 10 40 GGCB COc1ccc(N2CCN([C@H](C(=O)O)c3c(C)[nH]c4ccccc34)CC2)cc1 20722271 VOKIHLPLKKUGEY-NRFANRHFSA-N 379.460 3.433 10 40 GGCB CCOc1ccc(/C=C2\C(=O)N(Cc3cccnc3)C(C)=C2C(=O)OC)cc1 59435630 BDIOMPPRWZFYPH-UNOMPAQXSA-N 378.428 3.353 10 40 GGCB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)SC1=S 409128282 DKYLGKUNYYEJNR-YBEGLDIGSA-N 385.514 3.095 10 40 GGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC)C2=O)cc1 408901435 YABDSLZAWUSDIQ-LGMDPLHJSA-N 380.400 3.150 10 40 GGCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409338215 FWFIBURYFWFZGJ-MDWZMJQESA-N 389.414 3.280 10 40 GGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 16936828 ZQNVGQATEPSXGF-CKNOQMABSA-N 375.471 3.316 10 40 GGCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 107656203 MGNKWOOSKLAZAP-RKPNYOAGSA-N 398.415 3.128 10 40 GGCB Nc1c(NCCO)cc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O 6664810 AASLTIAHSYACKN-UHFFFAOYSA-N 379.460 3.193 10 40 GGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CC)CC)o3)C2=O)cc1 408981790 BXLUMXOPDQNLAI-LGMDPLHJSA-N 381.432 3.355 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3C(C)C)CC2)cc1 23224647 BHBAZLJMXVWKTN-HXUWFJFHSA-N 384.520 3.381 10 40 GGCB CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416552 PZPCTPIELUBOIX-CQSZACIVSA-N 389.858 3.214 10 40 GGCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cccc2ccccc12 408992594 SONWYEKRCDMGRH-UHFFFAOYSA-N 375.453 3.162 10 40 GGCB CN(C)c1ccc(CNC(=O)[C@H]2CC3(CCNCC3)Oc3ccccc32)cc1 96156836 QXRYEIIYVOPTRK-FQEVSTJZSA-N 379.504 3.057 10 40 GGCB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccnc1 7166072 HDSLJLKHKUPETC-ATVHPVEESA-N 383.498 3.324 10 40 GGCB COCc1nnc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)s1 1781786 IQHPRTCPEWVICF-UHFFFAOYSA-N 381.413 3.002 10 40 GGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1c(Cl)nc2ccccn12 54037706 ORNWELWVZJUOFR-UHFFFAOYSA-N 386.908 3.471 10 40 GGCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 409151072 AABHVQIDLKPKPN-CXUHLZMHSA-N 384.413 3.081 10 40 GGCB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 257200779 AEVPYHCBVZBNQM-SFHVURJKSA-N 381.524 3.091 10 40 GGCB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963199 DCFXRLTZZGGKIG-JOCHJYFZSA-N 379.504 3.254 10 40 GGCB COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)cc1 59925000 YBQIWMHLYHYQKT-LFIBNONCSA-N 380.425 3.453 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C\NN1C(=O)c2cccc3cccc(c23)C1=O 13562948 FIAQFYXFHUFEPE-UYRXBGFRSA-N 396.406 3.247 10 40 GGCB O=C1NN(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 4680161 HDVCNXOYTIKUJR-WJDWOHSUSA-N 393.330 3.455 10 40 GGCB CN1CCCc2cc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)ccc21 58769323 MFHNRCIVLXGMKN-UHFFFAOYSA-N 379.382 3.335 10 40 GGCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(Cl)cn1 408533026 NWIDDAWZLBDYKB-RVDMUPIBSA-N 392.802 3.467 10 40 GGCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)o1 408754218 FKQXQIALEYLHQK-MDWZMJQESA-N 389.205 3.325 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1 408741794 SAEZCHARCKCDHM-QGOAFFKASA-N 393.443 3.208 10 40 GGCB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217034934 ZGVOWWRKGFASSK-JOCHJYFZSA-N 381.520 3.221 10 40 GGCB CN1CCN(c2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2)CC1 217019413 PGYAPRUSBBCKFQ-UHFFFAOYSA-N 387.524 3.127 10 40 GGCB COc1cccc(CN2CCC(C(=O)N[C@H](C)CCCC(C)(C)O)CC2)c1O 199402471 URQRFPNNGFIRIU-MRXNPFEDSA-N 392.540 3.059 10 40 GGCB CN1C(=O)/C(=C/c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)SC1=S 9303075 GDFGGCVJTKNNSK-ATVHPVEESA-N 398.509 3.196 10 40 GGCB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(N2CCOCC2)cc1 409372670 ZUWHKSFHQQJWDD-SFHVURJKSA-N 385.489 3.291 10 40 GGCB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2c(C)noc2n1 19715842 NTHUZJCEUAZSAR-AWEZNQCLSA-N 380.448 3.167 10 40 GGCB Cc1c(-c2ccc(/C=C3\SC(N4CCOCC4)=NC3=O)o2)cccc1[N+](=O)[O-] 5156509 QYMUHAAPDPIBRM-BOPFTXTBSA-N 399.428 3.466 10 40 GGCB CN(C)c1ccc(/C=C\c2cc(N(CCO)CCO)c3ccccc3n2)cc1 5390384 XHGZQOSNKUCYTN-YFHOEESVSA-N 377.488 3.262 10 40 GGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2COc3ccccc3O2)cc1 9338756 PXXUEQXBJHRGJF-KNQAVFIVSA-N 396.487 3.100 10 40 GGCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3ncccc3O)cc2)s1 104123603 WFDOPUUFRHEHRY-ISLYRVAYSA-N 376.423 3.163 10 40 GGCB CCc1nnc(NS(=O)(=O)c2ccc(NCc3ccccc3O)cc2)s1 793997 SQIOMOOHQGQQOE-UHFFFAOYSA-N 390.490 3.219 10 40 GGCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)CC1 836497 IOGJVTZOCMBWTG-RGEXLXHISA-N 379.485 3.493 10 40 GGCB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(OC)c1 1249784 QMYAMOSXKOUINZ-UHFFFAOYSA-N 385.445 3.360 10 40 GGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 59489869 YOQICCOUMIULDG-UHFFFAOYSA-N 386.404 3.339 10 40 GGCB CCCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OCC)c2)NC1=S 3662875 NPBXOFGXUBDODP-WQLSENKSSA-N 399.310 3.324 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)ccc21 36627569 HJZRZERQJCDCQX-SJORKVTESA-N 377.396 3.292 10 40 GGCB CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1[C@H]1CCS(=O)(=O)C1 5444632 OTBNHLYVOMUJFL-KRWDZBQOSA-N 387.550 3.420 10 40 GGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1 112123963 CXABXZKTZUMHAC-UYRXBGFRSA-N 394.387 3.247 10 40 GGCB Cc1nn(C)c(C)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 69714865 DIJPFMTXFKJJHS-UHFFFAOYSA-N 382.430 3.182 10 40 GGCB CCOc1ccc(N2CC(=O)N3CCC[C@H](c4ccccc4)N3C(=O)C2)cc1 5393101 YLPVMVFYOFVHQW-HXUWFJFHSA-N 379.460 3.013 10 40 GGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 6863312 SDDRNIXAPIHVSB-LFYBBSHMSA-N 377.183 3.184 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1O 408981839 CFUQQNJVPLQVTG-MDWZMJQESA-N 386.791 3.029 10 40 GGCB Cc1cccc(N2C(=O)/C(=C\c3ccc(OCC(N)=O)cc3)SC2=S)c1 409207981 AEXDLTUYNGCJOT-MHWRWJLKSA-N 384.482 3.265 10 40 GGCB CCN(CC)c1ccc(CN(C(=O)CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 6241404 VIBDKVJASUNZOO-LJQANCHMSA-N 380.554 3.095 10 40 GGCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 1101522 OAZCKSGZMNSSLS-FOWTUZBSSA-N 399.447 3.240 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 102345389 ZUFOPSLTHQYKTE-AZHAFVHUSA-N 389.473 3.265 10 40 GGCB COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O 103763826 LCEFMAMIJIWNCR-RVDMUPIBSA-N 379.416 3.199 10 40 GGCB Cc1ccc(NC(=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2N=N)cc1C 102939530 PJBMAGIDIGOEOY-ROUUACIJSA-N 378.432 3.448 10 40 GGCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)C1 48356073 JGQCUNUTAZBDHI-OAHLLOKOSA-N 386.883 3.363 10 40 GGCB CCCC(=O)NC[C@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1 257318412 VNVBIPTYJPITLR-UAPYVXQJSA-N 385.552 3.408 10 40 GGCB CC(C)COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc12 637632 WRXCMTBICWNOTO-UHFFFAOYSA-N 382.485 3.473 10 40 GGCB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CCN(c2ccc(OC)cc2)CC1 57669918 UBZNMDAQNCJRSK-LJQANCHMSA-N 386.544 3.346 10 40 GGCB CC(=O)N1C(=O)/C(=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 13775597 QXNJFQBAGXDUOO-FOCLMDBBSA-N 380.450 3.356 10 40 GGCB CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)N(C)C1=O 5201209 HBIDQKOOBYWCLQ-UHFFFAOYSA-N 384.819 3.353 10 40 GGCB Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 6477151 ODLIYGSTGXRCIV-UHFFFAOYSA-N 395.371 3.388 10 40 GGCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 4614065 BRAGOTPLRLDCCC-YVLHZVERSA-N 395.411 3.287 10 40 GGCB Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc(S(C)(=O)=O)cc1 8719945 PHBIQOPEQWLCIU-UHFFFAOYSA-N 386.498 3.466 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC(C)C)c1 408803225 MRGHDULVACMFLV-WOJGMQOQSA-N 394.427 3.457 10 40 GGCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 5033140 JKMLZLNDIURPFE-SAIXKJTDSA-N 375.471 3.460 10 40 GGCB O=C(c1cccs1)N1CCN(Cc2cc(Br)ccc2O)CC1 19899299 MTLWOKKTBRYMBZ-UHFFFAOYSA-N 381.295 3.174 10 40 GGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409099952 SANFRJPFOYRBOE-SDNWHVSQSA-N 397.381 3.231 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)CSc3ccccn3)cc2F)C[C@@H](C)O1 53360230 SDAPPCSQHSLHKE-GASCZTMLSA-N 389.496 3.243 10 40 GGCB Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 4817145 RPAGJXAPAFJSHC-UVTDQMKNSA-N 379.416 3.149 10 40 GGCB Cc1ccc2nc(Cl)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2c1 11692950 KUIDGZDVKKYAJH-SDQBBNPISA-N 378.862 3.482 10 40 GGCB CCOC(=O)N1CCN([C@@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 19681931 GGKDGGOBULIRBB-FQEVSTJZSA-N 392.459 3.199 10 40 GGCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccco1 6050336 ANNMQTUFIAVGTB-LGMDPLHJSA-N 397.427 3.212 10 40 GGCB O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cnc(O)c(O)c2)cc1 13533009 POQNQKNTISYENR-ISLYRVAYSA-N 377.407 3.166 10 40 GGCB Cc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc2c1O[C@@H](C)C2 12062566 HLUARHNHXQOLRG-HOXUKUGESA-N 377.487 3.384 10 40 GGCB CN(C)c1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 15135045 RENFUJCUZJQPSN-JLHYYAGUSA-N 391.515 3.321 10 40 GGCB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)C(=O)NC2=S)cc1 409378986 TZFHLZSHDRYWDY-SFQUDFHCSA-N 396.468 3.098 10 40 GGCB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(N(C)C)cc4)C(=O)N=C3S2)CC1 41084662 ZPOQTOSGHJAFTM-PSPCYXPKSA-N 396.520 3.061 10 40 GGCB Cc1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1C 5571273 WWOASOPUBWBKEG-UHFFFAOYSA-N 381.501 3.310 10 40 GGCB Cc1ccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(O)c1 2037977830 NGXMBRFDTQGHIF-QFIPXVFZSA-N 384.451 3.238 10 40 GGCB COc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)cc1OC 4823291 LGCKFUTYWSYKNB-OQLLNIDSSA-N 384.363 3.345 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)o1 408820403 VVZHJXDCJKEVAA-SFQUDFHCSA-N 381.432 3.409 10 40 GGCB Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 6290235 YEAZMLHQYOBDME-UHFFFAOYSA-N 392.411 3.183 10 40 GGCB COc1ccc(N2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1 54105934 HBXQWBVMQHYSBB-UHFFFAOYSA-N 380.444 3.138 10 40 GGCB biogenic Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 9164632 PSYGUCCSVPQWCU-LICLKQGHSA-N 377.375 3.277 10 40 GGCB COc1ccc(N2CCN(C(=O)c3[nH]c4ccc(OC)cc4c3C)CC2)cc1 5203081 YVDLBLVOLJEZSU-UHFFFAOYSA-N 379.460 3.456 10 40 GGCB O=S(=O)(c1ccccc1)N1N=C(c2ccccn2)C[C@H]1c1ccccc1O 96024239 IXSYFFVHRPWJPW-IBGZPJMESA-N 379.441 3.327 10 40 GGCB O=C1/C(=C\c2ccc3cccc(Cl)c3n2)SC(=S)N1N1CCOCC1 8992045 QJRUILKSGFPWGA-GXDHUFHOSA-N 391.905 3.337 10 40 GGCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 979857 IASBUBWKXMDQRE-GZTJUZNOSA-N 381.501 3.221 10 40 GGCB CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] 4565862 NHAQKEYPUCFXEJ-AICCOOGYSA-N 386.376 3.101 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(N)=O)SC2=S)cc1 409349218 VKFKLDNWNAZGFQ-YBEGLDIGSA-N 384.482 3.265 10 40 GGCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OC(C)C)c1 408873664 UPUKCPSIWQJREW-BOPFTXTBSA-N 396.468 3.314 10 40 GGCB CN1C(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N(C)C1=O 5719693 VPYDHQDVNVYEQJ-UHFFFAOYSA-N 389.205 3.143 10 40 GGCB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)NC1=S 408909327 GKKMSFOIWPPBHG-XNTDXEJSSA-N 386.860 3.176 10 40 GGCB Cc1ccc(NC(=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2N=N)cc1C 102939533 PJBMAGIDIGOEOY-MSOLQXFVSA-N 378.432 3.448 10 40 GGCB CN(Cc1ccccc1)Cc1cc(CC2(NCc3ccccc3O)COC2)no1 67898129 SUENATOCJWVQGZ-UHFFFAOYSA-N 393.487 3.114 10 40 GGCB biogenic,in-vitro COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc4ccccc4c3)C2=O)cc1 408536764 XXUDHNXOODPIAC-UYRXBGFRSA-N 387.395 3.427 10 40 GGCB O=C1/C(=C\c2ccc3ccccc3n2)SC(=S)N1CCCN1CCOCC1 13735527 GVBGJYZTEJMHIP-NBVRZTHBSA-N 399.541 3.158 10 40 GGCB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)cc1 409242257 WKJZYWTZJPGHJK-XSFVSMFZSA-N 391.471 3.233 10 40 GGCB CN(C)c1ccc(N/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1 17971829 OHNGUUVGPAAKLS-JXAWBTAJSA-N 382.464 3.017 10 40 GGCB Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1C 408806256 MIHTWCWPNHPVIQ-UHFFFAOYSA-N 384.819 3.285 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1cccc([N+](=O)[O-])c1 3077618 AGCLKJKMSANXLA-NTEUORMPSA-N 385.426 3.141 10 40 GGCB Cc1ccc(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c(O)c1 2037977929 YCBZNPUMWNLGMC-HSZRJFAPSA-N 380.488 3.489 10 40 GGCB O=C1/C(=C\N2CCN(c3ccccc3)CC2)SC(=S)N1Cc1ccco1 9422188 FRTOYWGVNIMGIG-SAPNQHFASA-N 385.514 3.304 10 40 GGCB Cc1ccc(CN2CCN(C3=NC(=O)/C(=C/c4cccnc4)S3)CC2)cc1 71785168 IQWAWAXPBXHVHF-UYRXBGFRSA-N 378.501 3.178 10 40 GGCB COc1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cc(=O)[nH]3)CC2)cc1 14606939 OBUUXGODUPJHHJ-UHFFFAOYSA-N 396.878 3.426 10 40 GGCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 15013626 GJGILHBPXDVVHK-DHDCSXOGSA-N 386.860 3.488 10 40 GGCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 57547810 ANNHOWLPPJDSTI-INIZCTEOSA-N 381.476 3.047 10 40 GGCB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 13000277 AZCWMMMZIVPXOM-UHFFFAOYSA-N 388.898 3.129 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)S1 408762934 LXGWINAIISNKQA-YVLHZVERSA-N 392.440 3.248 10 40 GGCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(O)cc4)S3)CC2)c1 5577978 USBGYYPCIQKWBS-XMHGGMMESA-N 379.485 3.493 10 40 GGCB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)Cc1ccc(N(C)C)cc1)C2=O 18150562 VRFDZAJKMCFMQV-UHFFFAOYSA-N 393.487 3.096 10 40 GGCB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 257310233 UEGXDRXIPCPPGT-IBGZPJMESA-N 395.551 3.481 10 40 GGCB CCc1ccc([C@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCS3)cc1 13810143 KNWPTWBRVNGJTI-JOCHJYFZSA-N 399.536 3.437 10 40 GGCB CCCCN1CCc2cc(/C=C3\C(=O)NC(=S)N([C@@H](C)CC)C3=O)ccc21 9245049 QOCDRKFXCIVXOI-DLRWLJPMSA-N 385.533 3.274 10 40 GGCB CCN1NNc2cc(C(=O)/N=N/c3nc4ccccc4c(=O)n3CC)ccc21 14085297 KCGAAVCTGWLCLZ-GHVJWSGMSA-N 377.408 3.012 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccc(Cl)cc1 8642588 NITWFKPAZOUXPT-LCYFTJDESA-N 375.862 3.281 10 40 GGCB Cc1cccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)c1C 4086754 AMACHBLOKMSTMH-HXUWFJFHSA-N 384.481 3.382 10 40 GGCB CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2C 603726 HJSQVJOROCIILI-UHFFFAOYSA-N 394.862 3.162 10 40 GGCB COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 1416633 NLGVDNUPXFAMOI-RVDMUPIBSA-N 398.465 3.019 10 40 GGCB O=C(CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1 4158863 DLZAPBXZWLKBDR-SXGWCWSVSA-N 398.465 3.255 10 40 GGCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 5004807 FEFIBWBSMBJQSW-RVDMUPIBSA-N 390.511 3.090 10 40 GGCB Nc1nccnc1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 5040529 WMDYSXOWJOTNES-OCOZRVBESA-N 376.376 3.270 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1nnc(-c2cccs2)n1 32772568 LZSWPZOADIHGKJ-UHFFFAOYSA-N 396.520 3.051 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccccn1 47065416 SDJPVXQYIOZIGR-UHFFFAOYSA-N 380.370 3.259 10 40 GGCB CCc1noc(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 55530642 JAUMAEKUKFUKJV-BETUJISGSA-N 375.444 3.228 10 40 GGCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(O)c1 408895149 UAJMLVOVWBIVGW-ZHZULCJRSA-N 393.439 3.316 10 40 GGCB CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)C(=O)NC2=S)cc1 409377969 MGFQWSSNGBRYTB-FOWTUZBSSA-N 396.468 3.098 10 40 GGCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2cccc(Cl)c2Cl)cc1 12522208 OVJGMFXFKGEYPM-UHFFFAOYSA-N 396.274 3.323 10 40 GGCB CN(C)c1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 13514422 IYFCEESYRFHXIP-YBEGLDIGSA-N 382.876 3.085 10 40 GGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)c1 408785214 ZZQVBJCPCNOBBT-RIYZIHGNSA-N 386.791 3.111 10 40 GGCB CCCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Br 409026734 WLCMXYUTGGCVKQ-JYRVWZFOSA-N 383.267 3.344 10 40 GGCB CC(C)c1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 96930790 UPYUPGGHGYMKHL-GHRIWEEISA-N 376.547 3.343 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)c1 409012943 RYEOAUFBSDQAAW-WOJGMQOQSA-N 380.469 3.452 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)ccc21 36627571 HJZRZERQJCDCQX-IAGOWNOFSA-N 377.396 3.292 10 40 GGCB CC1CCN(c2nc(O)c3c(n2)CN(Cc2ccc(N(C)C)cc2)CC3)CC1 72347351 KHDFUYIIPBPNKN-UHFFFAOYSA-N 381.524 3.043 10 40 GGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5374299 LZDOGDDNDUENOV-QXAAKXPCSA-N 379.459 3.116 10 40 GGCB COc1ccc(N2CCN(c3ccc(-c4nc(C)no4)cc3[N+](=O)[O-])CC2)cc1 20897950 RINNTGXFPVTWGK-UHFFFAOYSA-N 395.419 3.288 10 40 GGCB CC(=O)c1cccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408526900 DJMZQYPSDDGHNI-GZTJUZNOSA-N 377.400 3.085 10 40 GGCB CCN(CC)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 223883101 CLZJAEOWWMEADK-UHFFFAOYSA-N 389.521 3.224 10 40 GGCB Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 408818503 VSKKSKZSJJZAHF-UHFFFAOYSA-N 386.407 3.477 10 40 GGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408814628 VWEYBASVYCKJGJ-LDADJPATSA-N 394.427 3.323 10 40 GGCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 5032695 FNBYOHSAUKMXLT-MKVLZVNKSA-N 383.360 3.368 10 40 GGCB O=C(NN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S)c1cccnc1 13734660 WEZUUICXEBFFLL-GDNBJRDFSA-N 392.465 3.176 10 40 GGCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 13810388 WJFRRVYEUUNVIH-PDGQHHTCSA-N 399.541 3.420 10 40 GGCB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1 408814437 ZEOPSSVQMUTISU-UHFFFAOYSA-N 391.210 3.322 10 40 GGCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2O)C1=O 409012233 JZASBDDLEHTTLX-HMHNVIDESA-N 392.477 3.226 10 40 GGCB COc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(OC)c1OC 1255455 OUEIQIHCPJZYLW-PTNGSMBKSA-N 396.399 3.215 10 40 GGCB NC(=O)COc1cccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)c1 109023127 FZEGNKSAHBNTGO-DHDCSXOGSA-N 387.848 3.287 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2 4178574 QNCPGOIWERLDBR-PKIAMQTDSA-N 389.473 3.265 10 40 GGCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)NC1=S 408779815 LFGVHECGLZXJIU-UKTHLTGXSA-N 386.860 3.439 10 40 GGCB Cn1cc(-c2nn(C)cc2C(=O)N2CCCc3c2cccc3C(F)(F)F)cn1 581247461 UALFALZNFFRCHN-UHFFFAOYSA-N 389.381 3.432 10 40 GGCB CCN1CCCc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)ccc21 11615984 LMTDUEQZFLDNHY-PTNGSMBKSA-N 376.503 3.135 10 40 GGCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(OC)cc34)CC2)cc1 20727655 ILZWJKYWQYNPEW-OAQYLSRUSA-N 395.459 3.133 10 40 GGCB CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 108143795 ODDRNLVZANAJFW-ZROIWOOFSA-N 387.779 3.108 10 40 GGCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 27229633 YPWLBUPPYWZWNP-UKTHLTGXSA-N 396.540 3.151 10 40 GGCB C/C(NCCCO)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100423721 ZEPNSUBBVZOWIA-JXAWBTAJSA-N 392.484 3.293 10 40 GGCB CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 2326086 YQWYXJYITQVIMI-INIZCTEOSA-N 398.440 3.461 10 40 GGCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccccc1F 108242607 WRMVVOYYMDXLKL-NTMALXAHSA-N 393.802 3.362 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409074346 ZHESUIGUTSTIAQ-BRYYZUPOSA-N 399.472 3.395 10 40 GGCB CCOC(=O)[C@@H]1C(O)=Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 9262200 OKZKTGMTMCAIRJ-ZWKOTPCHSA-N 378.432 3.473 10 40 GGCB Cc1noc(C)c1C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 84022884 DILIYKHFLDECEL-ZDUSSCGKSA-N 383.370 3.446 10 40 GGCB COc1cccc2cc(C(=O)N3CCN(c4ccc5c(c4)OCO5)CC3)oc12 408568951 LOSAOZWLGDOACU-UHFFFAOYSA-N 380.400 3.133 10 40 GGCB COc1cccc(/C=C2/SC(=S)NC2=O)c1OC(=O)c1cccs1 98086295 NJQPJPRVTVGWFR-XYOKQWHBSA-N 377.468 3.465 10 40 GGCB CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C1O 17056723 QOZTWCYGSXDEOB-XYOKQWHBSA-N 375.178 3.005 10 40 GGCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 2789004 LHDACZHMZNNCMR-UHFFFAOYSA-N 394.283 3.315 10 40 GGCB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963389 JMBTXGCCNHFNFV-QFIPXVFZSA-N 393.531 3.319 10 40 GGCB CCCCN1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)N(c3ccccc3)O[C@H]2C1=O 101997207 XHTAAYHQCLFJHY-PWRODBHTSA-N 393.487 3.399 10 40 GGCB O=C(O)[C@@H]1[C@@H](c2c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc23)[C@@H]2C=C[C@H]1C2 5030653 LGWWQMQBPJNCFQ-IOWHJBRQSA-N 380.352 3.005 10 40 GGCB CCN(CC)C(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 5447015 LNODCCFMEIWFRE-NTCAYCPXSA-N 378.519 3.155 10 40 GGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(O)cc1 6763697 CFJOWACINGBIOH-BOPFTXTBSA-N 380.356 3.178 10 40 GGCB CC(C)N1CNC2=N[C@H](c3ccc(N(C)C)cc3)n3c(nc4ccccc43)N2C1 20101441 ODXVZTABVZGJKA-FQEVSTJZSA-N 389.507 3.054 10 40 GGCB Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1 47118818 XYFMQVMPDHRNBT-UHFFFAOYSA-N 375.476 3.283 10 40 GGCB COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(O)cc34)CC2)cc1 54105954 VHKNBGQVVWFISG-UHFFFAOYSA-N 380.444 3.138 10 40 GGCB biogenic CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(CC)c2C)C1=O 409249317 NFGZROGJYIRWBQ-FOWTUZBSSA-N 381.432 3.190 10 40 GGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 1192658 OKSIOQFLJLPYRG-XNTDXEJSSA-N 386.791 3.024 10 40 GGCB CCOc1ccc(N2CC(=O)N3CCC[C@@H](c4ccccc4)N3C(=O)C2)cc1 1579226 YLPVMVFYOFVHQW-FQEVSTJZSA-N 379.460 3.013 10 40 GGCB COC(=O)c1ccc(CN2C(=O)S[C@H](Nc3ccccc3OC)C2=O)cc1 3272910 ZJQIPAFHIIYENZ-INIZCTEOSA-N 386.429 3.115 10 40 GGCB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8963062 CTSVJSFRBGRXSZ-IBGZPJMESA-N 387.911 3.374 10 40 GGCB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3O)C[C@@H]21 10214456 DBRYTMITTJYGIA-SFHVURJKSA-N 379.460 3.366 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OC)c1 408804834 BRGZMJAPAQNYST-UKTHLTGXSA-N 386.791 3.024 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 409240503 UEUJIPWMEDKZDY-XNTDXEJSSA-N 396.468 3.152 10 40 GGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(OC)c1OC 58883877 JRMVJFJGLDUCRP-WJDWOHSUSA-N 383.400 3.170 10 40 GGCB Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1 27156164 RHIRLHXIDJTOOE-UHFFFAOYSA-N 390.487 3.290 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S)c1ccncc1 13734773 FFQZJGBBXNNIJL-WJDWOHSUSA-N 392.465 3.176 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(NCN3C(=O)c4ccccc4C3=O)ccc21 4733839 QHXZRTBEDBRGAC-UHFFFAOYSA-N 382.375 3.128 10 40 GGCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 408536515 WQKXDFPGUAQORD-MHWRWJLKSA-N 394.387 3.099 10 40 GGCB Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1C 22589258 YLVMZEJOBLZULE-HSZRJFAPSA-N 394.563 3.088 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cn2cccn2)cc1 10308379 UFQNMFQGIRZVQQ-UHFFFAOYSA-N 390.487 3.040 10 40 GGCB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)cc1 79052817 YLVFBIXMRBSBRK-WOJBJXKFSA-N 389.540 3.449 10 40 GGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(C)C 408869410 DAMYAZBRICWWJZ-UVTDQMKNSA-N 398.390 3.288 10 40 GGCB CCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)cc1OC 12635833 MWNFQTZCIZWNLR-SAIXKJTDSA-N 395.502 3.247 10 40 GGCB CC(=O)N1CCc2nc([C@@H]3CCCCN3Cc3cc(C)ccc3O)ncc2C1 19133524 ODOBZPJWOJACHK-FQEVSTJZSA-N 380.492 3.122 10 40 GGCB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)c1 8970762 NISXBIXFMSVWGO-MFVBVHDHSA-N 394.383 3.354 10 40 GGCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 14671672 IFDBJPRPEXEBLT-VURMDHGXSA-N 376.253 3.108 10 40 GGCB CN1C(=O)C(=Cc2cc(/N=N/c3ccccc3)ccc2O)C(=O)N(C)C1=S 59139194 MQEGBMKWNXGDDZ-QZQOTICOSA-N 380.429 3.406 10 40 GGCB CCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OCC 54285070 ISNXQMURIBVBKF-UHFFFAOYSA-N 384.476 3.251 10 40 GGCB CCOC(=O)c1ccc(N2N=C(Cl)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1 96191216 KXBDGCHONRCSDB-UKTHLTGXSA-N 389.751 3.347 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 8428284 OIRBRSIHFRLZMS-UHFFFAOYSA-N 381.505 3.435 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)ccc1O 409231549 JTNLWBGCMLAUDU-XNTDXEJSSA-N 396.468 3.239 10 40 GGCB Cc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c(C)n1-c1ccc(C(=O)O)cc1 409319164 BIJCVLUSVCEHAW-YVMONPNESA-N 396.359 3.072 10 40 GGCB Cc1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(O)c1 2037978067 VHJFTLIAYYYMBB-JOCHJYFZSA-N 384.451 3.238 10 40 GGCB COc1ccc(OC)c(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)c1 2965865 AGNAARCSRVWCHN-FQEVSTJZSA-N 389.472 3.014 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1OCC 1281958 IXHNGBMRZVGOLD-AHEVQNHNSA-N 381.475 3.158 10 40 GGCB O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 2654195 WWMZRCDLTNTARY-UHFFFAOYSA-N 395.436 3.490 10 40 GGCB COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCC(C)CC2)=NC1=O 4816026 NWIQETVYBRAAGS-YVLHZVERSA-N 376.478 3.415 10 40 GGCB Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccc2nsnc2c1C 3011946 RXXWVAMMAQCHDC-UHFFFAOYSA-N 377.476 3.114 10 40 GGCB COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 2364924 QMLVNFCJGWPOHF-UHFFFAOYSA-N 386.459 3.151 10 40 GGCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2Cc2ccccc2Cl)C(=O)N1 408870610 UAJKXTLDQUKTIJ-UHFFFAOYSA-N 375.211 3.334 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)CC(C)(C)O4)C2=O)cc1 408710817 MUCDCPIMWXRRLF-GZTJUZNOSA-N 392.411 3.075 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccccc1F 6307915 PEKPWNDOOIDQRT-ATVHPVEESA-N 395.386 3.490 10 40 GGCB O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccccc1O 20065893 JYHCUQSIVWJUHO-SXGWCWSVSA-N 395.465 3.420 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1O 1201617 SLJFHQUCRGHKMC-MHWRWJLKSA-N 380.400 3.191 10 40 GGCB COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc2c1OCCO2 7166216 OUNKQKGWZKQGSD-DHDCSXOGSA-N 386.454 3.267 10 40 GGCB CCN(CC)c1ccc(CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 12548984 REQVYZLROHQSNV-UHFFFAOYSA-N 393.487 3.178 10 40 GGCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)cc1 13576883 RMYNLYNJRHVJNU-ZSOIEALJSA-N 375.427 3.241 10 40 GGCB COc1ccc(N2CCN(CCCNC(=O)/C=C/c3ccccc3)CC2)cc1 32765963 WRULUPYYUAUTLK-MDWZMJQESA-N 379.504 3.037 10 40 GGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC#N 34720711 INTCPFNYPXEMDI-GDNBJRDFSA-N 397.818 3.102 10 40 GGCB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2c(CNCCO)c(O)ccc12 57312267 GQGAVCQPYGKBMQ-UHFFFAOYSA-N 379.334 3.266 10 40 GGCB O=C(COc1cccc2c1CCCC2)NCc1ccc(N2CCOCC2)cc1 96125674 GOHBIQGPYYANIT-UHFFFAOYSA-N 380.488 3.097 10 40 GGCB O=C1NC(=S)S/C1=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 408729647 HNVCQPJFVGPIQO-RIYZIHGNSA-N 386.410 3.303 10 40 GGCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 409338105 DBZNEMONIPCRBL-WWNSAXIVSA-N 381.475 3.158 10 40 GGCB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@@H](N=[N+]=[N-])[C@H]1N=[N+]=[N-] 4565859 NHAQKEYPUCFXEJ-JARUQAPTSA-N 386.376 3.101 10 40 GGCB C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 107939550 BTYRDMPGIUQTMC-WJDWOHSUSA-N 384.819 3.375 10 40 GGCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c2C)cc1[N+](=O)[O-] 4674076 SOUIRMXONSVSJF-OVCLIPMQSA-N 398.444 3.408 10 40 GGCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(O)c(OC)c1 408892617 IQQHYAAMTXFYES-UVTDQMKNSA-N 383.375 3.417 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c(O)c1 1214770 FGJAERYYCQEYET-LICLKQGHSA-N 385.851 3.353 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCC2 2801616 KAUAXXYGEUBGJP-QWHCGFSZSA-N 377.462 3.409 10 40 GGCB CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 408940803 VDVHMFLUPUYBHE-GZTJUZNOSA-N 378.384 3.175 10 40 GGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)s3)C2=O)c1 408965977 KOIWAOAZPNKDHA-UKTHLTGXSA-N 376.821 3.467 10 40 GGCB CCN1C(=O)C(=C/C=C/c2ccc(N(CC)CC)cc2)C(=O)N(CC)C1=S 1649915 CQMQPWOPDADRPR-MDZDMXLPSA-N 385.533 3.468 10 40 GGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5372322 IQTPKRZQWITSGZ-ZEVOCZHWSA-N 379.459 3.260 10 40 GGCB Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1C 1407192 KESSSXMNSQUOLU-UHFFFAOYSA-N 381.501 3.310 10 40 GGCB COc1ccc(N2CCN(C(=O)CN3CCCSc4ccccc43)CC2)cc1 7274053 ZTXSCORUUHWDNE-UHFFFAOYSA-N 397.544 3.346 10 40 GGCB COc1ccc(N2CCN(C(=O)c3snnc3-c3ccc(F)cc3)CC2)cc1 225780993 FAAXFXASLMEASV-UHFFFAOYSA-N 398.463 3.315 10 40 GGCB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c(O)c1 6351140 XZGWGTAAVWYVST-IBGZPJMESA-N 397.431 3.066 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc(Cl)ccc3C)C2=O)cc1 6234072 NRSFJXMXCFDMRP-GDNBJRDFSA-N 385.807 3.236 10 40 GGCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 5947716 DBCKBEFWSBMTEB-MHWRWJLKSA-N 382.376 3.324 10 40 GGCB O=C1/C(=C/c2cccc3cccnc23)SC(=S)N1CCCN1CCOCC1 13014543 QPPPDAOSARYALU-VKAVYKQESA-N 399.541 3.158 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 6355435 MJMYNVIYBALUNQ-RVDMUPIBSA-N 380.400 3.069 10 40 GGCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 96449826 KYSWIOKGVUYIDY-RGEXLXHISA-N 392.459 3.420 10 40 GGCB COc1ccccc1CN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 103916121 NXPQEBVGTVWFAF-UYRXBGFRSA-N 380.404 3.390 10 40 GGCB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 216945948 OTYAQTFDYHQCFZ-MRXNPFEDSA-N 387.911 3.176 10 40 GGCB O=C(O)CCN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S 23724385 ZBJNFUFAPQSMEG-FNORWQNLSA-N 378.294 3.187 10 40 GGCB COc1ccc(N2CCN(CC(=O)c3ccc(Br)cc3)CC2)cc1 37134010 CIGNWHSGOIMFPI-UHFFFAOYSA-N 389.293 3.463 10 40 GGCB Cn1c(/C=C/c2cccnc2)nc2ccc(I)cc2c1=O 4869637 WLJPNKTUBHYVJN-QPJJXVBHSA-N 389.196 3.104 10 40 GGCB O=C1NC(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)C(=O)N1 408801014 RCTMCZDUSWQTKM-UHFFFAOYSA-N 391.210 3.322 10 40 GGCB CN1CCN(c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)CC1 49740627 BLNNFBGYZUUTQF-UHFFFAOYSA-N 388.309 3.131 10 40 GGCB O=C1N=C(O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Cl)s1 2379234 PCYFYTIQIHWOLL-UXBLZVDNSA-N 376.777 3.001 10 40 GGCB CC[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551732 BCZXGNHLOHNDGD-OPCAMPFDSA-N 381.388 3.234 10 40 GGCB Cc1cc(C(=O)CN2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 21670536 MCIBPGSIHNDNIK-IYBDPMFKSA-N 384.476 3.157 10 40 GGCB C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1 140007629 QTYWAPZNGXCSEB-HNNXBMFYSA-N 399.516 3.342 10 40 GGCB COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCC(C)C 409204972 DURPTZDSILBWMX-YBEGLDIGSA-N 386.448 3.134 10 40 GGCB Cc1noc(C)c1C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 84022887 DILIYKHFLDECEL-CYBMUJFWSA-N 383.370 3.446 10 40 GGCB CN1CCN(c2ccc(CNC(=O)CSCc3ccccc3F)cc2)CC1 222714425 HSBAKRUQLSWCQX-UHFFFAOYSA-N 387.524 3.127 10 40 GGCB C[C@H](OC(=O)C1CCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5507462 VZZPHXKYMZIPAK-LBPRGKRZSA-N 377.396 3.132 10 40 GGCB Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(c3ncccn3)CC2)c1C 3378180 YFWUNJUBNIPUGC-UHFFFAOYSA-N 375.476 3.155 10 40 GGCB COCCNc1cc(N2CCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O 6664067 WVZGMDCUVZEAQA-UHFFFAOYSA-N 379.460 3.093 10 40 GGCB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1cc(C)ccc1O)C2 19133549 MSIDIPCHURHMRC-HXUWFJFHSA-N 380.492 3.122 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)c3c[nH]c4ccc(OC)cc34)C[C@@H]2C)cc1 20029221 CBRDUXXEIWYHQP-QMHKHESXSA-N 395.503 3.429 10 40 GGCB CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 13943913 OZKHKJIMPOTFPF-VBKFSLOCSA-N 383.498 3.299 10 40 GGCB CN1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)CC1 23109651 PAVPJJTWKTZFJH-SFQUDFHCSA-N 398.444 3.073 10 40 GGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 54360854 ROGUVRMFTXAKFO-DDITZMBXSA-N 390.530 3.379 10 40 GGCB CN(C)C(=O)[C@H]1CCCN1Cc1c(O)ccc2cc(Br)ccc12 12819916 KEGCNQOAGXNOTB-MRXNPFEDSA-N 377.282 3.361 10 40 GGCB Cc1occc1C(=O)NN1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S 13729466 DUPIRMFZKXKADZ-OVCLIPMQSA-N 396.453 3.077 10 40 GGCB COc1ccc(/C=C2\SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)cc1 39869913 JWESXZCUBHOVLR-UUASQNMZSA-N 398.396 3.174 10 40 GGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(Cl)c2)C1=O 409236616 SHDYOZZLQYVPQW-FMIVXFBMSA-N 386.791 3.111 10 40 GGCB O=C1C(=O)C2(C[C@H]1S(=O)(=O)c1ccccc1)c1ccccc1-c1ccccc12 5813425 JCRIPFDYTMDRHF-HXUWFJFHSA-N 388.444 3.338 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 26417128 CPVUDCGYWXAYPC-NQIIRXRSSA-N 387.549 3.089 10 40 GGCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3C)C(=O)NC2=S)cc1 409375600 MXPSIYFFMIQKPX-LDADJPATSA-N 380.469 3.397 10 40 GGCB O=C1NC(=S)NC(=O)C1=Cc1c(Cc2cccc(F)c2)ccc2ccccc12 408869973 URQTVBWSLINJGU-UHFFFAOYSA-N 390.439 3.484 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 44281628 VQQBNULNAOKXOV-UHFFFAOYSA-N 396.878 3.497 10 40 GGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(O)c1 6132533 XNVCHHRPCPSWHJ-MDWZMJQESA-N 376.484 3.294 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(S(C)(=O)=O)c1 10962100 IBGXLQQQLBTXEF-UHFFFAOYSA-N 386.517 3.353 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N(C)C 408528193 HBWMGGZQSASQHC-KAMYIIQDSA-N 376.420 3.053 10 40 GGCB O=C(O)CN1C(=O)/C(=C/c2cccc(OC(=O)c3ccccc3)c2)SC1=S 1203245 BDICNRSWMJGSIT-GDNBJRDFSA-N 399.449 3.192 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccccc1O 9190110 RMVUNLMQRHGKKZ-AQTBWJFISA-N 383.448 3.324 10 40 GGCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(F)cc3)C3CC3)CC2)cc1 7247240 SDWFQRRRFLBWPY-UHFFFAOYSA-N 397.494 3.148 10 40 GGCB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1ccccc1 8159946 OAIDBRXQKLBWFI-QGZVFWFLSA-N 397.504 3.235 10 40 GGCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 223700928 QMVRMZCBZWWDHS-OAHLLOKOSA-N 389.477 3.310 10 40 GGCB O=C1/C(=C\Nc2ccc(Cn3cncn3)cc2)SC(=S)N1Cc1ccco1 101488096 AVDKOYBASXNCOS-LZYBPNLTSA-N 397.485 3.233 10 40 GGCB Cc1c(N2C(=O)/C(=C/c3ccco3)SC2=S)c(=O)n(-c2ccccc2)n1C 975217 AZYGZPXAGORTFJ-PTNGSMBKSA-N 397.481 3.483 10 40 GGCB COc1nc(Nc2ccc(N)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 1102724 FAQGBHLKVHUUGH-UHFFFAOYSA-N 383.252 3.078 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(OC[C@H](O)Cn3cnc4ccccc43)ccc21 4311058 FYSHUOMEMCKYCI-OAHLLOKOSA-N 398.418 3.252 10 40 GGCB Cn1c(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)nc2ccccc21 20227143 UICRTIRMLJMVQX-XNTDXEJSSA-N 378.413 3.354 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1C 409250142 WGTGWSRVVSYOLL-JLHYYAGUSA-N 386.860 3.488 10 40 GGCB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2C 5267045 AAPJMCQQBJYGLL-UHFFFAOYSA-N 386.521 3.337 10 40 GGCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 409249296 SXNLDIAHIFTTEB-ATVHPVEESA-N 379.485 3.201 10 40 GGCB COc1cccc(C(=O)c2coc3ccc(O)c(CN4CCN(C)CC4)c23)c1 604419612 JZJHUOCHMKQOJT-UHFFFAOYSA-N 380.444 3.125 10 40 GGCB O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 843771 DNONCVAANDQKND-UHFFFAOYSA-N 377.765 3.263 10 40 GGCB CCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N(CC)C1=S 5061445 XXXRSZTWOQOUPM-UHFFFAOYSA-N 398.440 3.024 10 40 GGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5371732 ZANWLUDWCBDRLL-ODUNQGDFSA-N 393.486 3.318 10 40 GGCB COc1ccc([C@H](CNCc2ccc(N3CCOCC3)cc2)N2CCCC2)cc1 24981494 ATTHIIHJDFMVOU-DEOSSOPVSA-N 395.547 3.459 10 40 GGCB CCN1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1cccc(OC)c1O)N2 80324942 UBGHMLASLPJQMJ-LJQANCHMSA-N 395.503 3.442 10 40 GGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CC)CC)o3)C2=O)c1 408829159 XEURKCPZFIYBQJ-GHRIWEEISA-N 397.431 3.191 10 40 GGCB CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3ccc(O)cc3)C2=O)c2ccccc21 12436950 QLXDMMAIYMUFTA-NXVVXOECSA-N 396.449 3.061 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2221352 BVBLGUAZPRKLBS-RAXLEYEMSA-N 375.475 3.409 10 40 GGCB Cc1ccc(NC(=O)COC(=O)c2ccccc2/N=N/N(C)C)cc1[N+](=O)[O-] 3385243 VJMQSUFGWHQFAR-QZQOTICOSA-N 385.380 3.259 10 40 GGCB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1sccc1C(N)=O 7126318 QICNCKBSQYBCKC-UHFFFAOYSA-N 386.502 3.461 10 40 GGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 408961052 QLERCHSIBKMJQW-CPNJWEJPSA-N 393.418 3.482 10 40 GGCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 6112208 ASMNMRFWPPRIFU-HTRKUNOGSA-N 399.449 3.442 10 40 GGCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 59959208 DJUODINJNZZGPF-BOPFTXTBSA-N 394.383 3.481 10 40 GGCB NC(=O)COc1ccc(CN2CCCc3cc(OC(F)(F)F)ccc32)cc1 95938956 NJWIKFIQUCWYBU-UHFFFAOYSA-N 380.366 3.402 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccc(Cn4nc(C)cc4C)o3)CC2)cc1 27980492 ATMDEDHZJZMQHA-UHFFFAOYSA-N 394.475 3.112 10 40 GGCB CCOC(=O)[C@@H]1C(O)=Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 9262194 OKZKTGMTMCAIRJ-ROUUACIJSA-N 378.432 3.473 10 40 GGCB COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 16292660 SLQXJFHKDNFDEI-NTUHNPAUSA-N 397.343 3.124 10 40 GGCB COc1ccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)c1 793996 IHQVIJXMMBYWEJ-UHFFFAOYSA-N 391.474 3.270 10 40 GGCB COC(=O)Cc1c(C)c2cc(CNc3ccc(OC)cc3)c(O)c(C)c2oc1=O 9061192 XAJFDGQWYMQDBN-UHFFFAOYSA-N 397.427 3.452 10 40 GGCB COc1ccccc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 48356150 VMDLOPJFZCWPCT-HZPDHXFCSA-N 386.467 3.307 10 40 GGCB C[C@H](NC(=O)c1ccccc1Cn1cccn1)c1ccc(N2CCOCC2)cc1 19719200 ZWEIKDLUFHDHFM-SFHVURJKSA-N 390.487 3.259 10 40 GGCB COc1cccc(-c2cc3ccc(O)c(CN4CCC[C@@H]4C(=O)O)c3oc2=O)c1 57312358 WYVKCXBDJQLJMD-GOSISDBHSA-N 395.411 3.223 10 40 GGCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccccc3O)S2)CC1 836503 NCWXHLONNZDQPF-RGEXLXHISA-N 379.485 3.493 10 40 GGCB COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCC[C@H](C)C2)=NC1=O 639499 OORGEFKJKYQRFI-CHROMADKSA-N 376.478 3.415 10 40 GGCB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 15674912 DGNLREAZVOSVFV-MOPGFXCFSA-N 382.439 3.250 10 40 GGCB biogenic,in-vitro COc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc(OC)c1 22418323 JWJWGBAKXITGLQ-FQEVSTJZSA-N 386.496 3.194 10 40 GGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1 34878001 QETQHXRKMWLSCE-XNTDXEJSSA-N 388.445 3.381 10 40 GGCB NC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 57680148 INBARPLOSUWTFN-UHFFFAOYSA-N 393.877 3.363 10 40 GGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccc(Br)c1 408912840 SGIGAEPXXCWBEW-RIYZIHGNSA-N 389.180 3.255 10 40 GGCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1cccnc1 11640023 YDOROBHXWNAUHM-XNTDXEJSSA-N 387.461 3.451 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cccnc3N3CCCCC3)CC2)cc1 40128921 DKRLJQCDJVOAIL-UHFFFAOYSA-N 380.492 3.043 10 40 GGCB CC(C)C(=O)NC[C@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1 100766634 ZNGUHTKPKLZJOF-IZAXUBKRSA-N 385.552 3.264 10 40 GGCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 113834189 WGONKEVUZMLLIZ-YPKPFQOOSA-N 383.410 3.323 10 40 GGCB COCCN1C(=O)/C(=C/c2cc(Br)ccc2F)SC1=S 96930795 WYDNJBPJEVSTFT-XFFZJAGNSA-N 376.272 3.436 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 40104382 YDOYJBVBNULEPI-UHFFFAOYSA-N 391.479 3.405 10 40 GGCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1Cl 100222018 FSCHHMMHVWTONI-OVCLIPMQSA-N 375.881 3.491 10 40 GGCB COc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 224421093 AOYVLVZXZKKDEF-UHFFFAOYSA-N 381.520 3.004 10 40 GGCB CN1CCCc2cc([C@H](CNC(=O)c3ccc(F)cc3)N3CCOCC3)ccc21 13008309 DZYOYJUNXSXGKU-QFIPXVFZSA-N 397.494 3.011 10 40 GGCB COc1c(C(C)C)c(O)c(O)c2c1[C@@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 604379909 TZZLSFDQMRMADF-XXLATIFVSA-N 376.449 3.266 10 40 GGCB biogenic,in-vitro COCCN1C(=O)[C@@H](Cc2cc(Cl)cc(Cl)c2OC)SC1=S 8104683 VYPYZESHCJUPCT-LLVKDONJSA-N 380.318 3.420 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccc3cccnc3c2)SC1=S)c1cccnc1 57434728 SCSIBXBWFFLLFM-YBEGLDIGSA-N 392.465 3.176 10 40 GGCB CSc1cccc(N2C[C@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)CC2=O)c1 8429021 HWSINYVQGOJECF-QGZVFWFLSA-N 397.544 3.486 10 40 GGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 409231886 LNSWXVKAYWJQCE-MHWRWJLKSA-N 398.419 3.314 10 40 GGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408801018 RFGYUVJRHYUUBR-GZTJUZNOSA-N 394.427 3.377 10 40 GGCB Cc1cccc(CSCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 222748539 FZILTYAGIDLHDA-UHFFFAOYSA-N 383.561 3.296 10 40 GGCB COc1ccc(CN(Cc2ccc3c(c2)CCCN3C)C[C@@H](C)O)cc1OC 12147954 ZAKAGJKDCKSWSD-QGZVFWFLSA-N 384.520 3.469 10 40 GGCB COc1ccc(OC)c(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)c1 2433301 HGYQJGSQVKTPKN-MHWRWJLKSA-N 384.413 3.484 10 40 GGCB COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)cc1 13284279 XFROEJDVLPWFJT-UHFFFAOYSA-N 382.489 3.012 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 22298826 HIKKSQKDDUVSIB-QFIPXVFZSA-N 392.499 3.410 10 40 GGCB COC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 33316844 QPFLTZCGVWDHJN-AQTBWJFISA-N 388.379 3.195 10 40 GGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3(O)CCSCC3)c2C)cc1 89642701 SQKJARVDRBPGSV-UHFFFAOYSA-N 387.501 3.387 10 40 GGCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1O 408767922 HEHMOBFVJJBECB-PDGQHHTCSA-N 379.412 3.274 10 40 GGCB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)ccc21 409346882 OPOGRTLJXBELNC-YBEGLDIGSA-N 399.472 3.422 10 40 GGCB CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)c3ccccc3C(=O)N2N)cc1 5486333 KGQQDECHVUTVPS-UHFFFAOYSA-N 386.499 3.440 10 40 GGCB COCCCN1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2O)SC1=S 5530915 KBYLINHPIFUNAT-PTNGSMBKSA-N 389.502 3.124 10 40 GGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 6884181 DMUHWYNAULHCNL-NVDWLVSRSA-N 390.280 3.353 10 40 GGCB COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc(Cl)c1O 38173749 FGQNNGLBCZTEHS-VZUCSPMQSA-N 376.752 3.150 10 40 GGCB COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 89894134 PRCQOGYRWGEFBQ-MNDMWVCDSA-N 399.451 3.337 10 40 GGCB O=C1N=C(O)/C(=C\c2ccc(N3CCCC3)cc2F)C(=O)N1c1cccnc1 6971020 CNAPITPZJMHVPK-MHWRWJLKSA-N 380.379 3.328 10 40 GGCB Cc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1C 408859551 YBYZVVGJMKUCSW-RVDMUPIBSA-N 393.443 3.457 10 40 GGCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)NC2=S)c1 409243519 RXVDDXRVUMDIGY-FOWTUZBSSA-N 395.484 3.328 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)c3c[nH]c4cc(OC)ccc34)CC2)cc1 19556543 UTUCAMAXYZNZSB-JOCHJYFZSA-N 381.476 3.041 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc21 4380271 JGCHALMDVIONKB-UHFFFAOYSA-N 381.384 3.402 10 40 GGCB C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3S)cc2F)C[C@@H](C)O1 57375222 ZJDFHNGYABYHCS-CHWSQXEVSA-N 375.469 3.053 10 40 GGCB CCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 8751017 IKXSLYQRAVEIGK-UHFFFAOYSA-N 384.461 3.129 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1OC 409149244 ZQUDMCMQJUMXJP-RVDMUPIBSA-N 396.468 3.152 10 40 GGCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1CCS(=O)(=O)O 5371919 BZEKFJUUDJOMCL-POHAHGRESA-N 398.314 3.082 10 40 GGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 2442769 JIRMTWCWZCAASZ-UGMNDJHYSA-N 381.475 3.158 10 40 GGCB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc2nccnc2c1 9049526 DKLZBRHLSXZOFC-DHDCSXOGSA-N 396.453 3.063 10 40 GGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)NC1=S 409393507 XWTAZAHHMKILNO-GZTJUZNOSA-N 381.501 3.358 10 40 GGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 100799564 YXIFHXSSASDIOC-DTQAZKPQSA-N 396.422 3.251 10 40 GGCB O=C(O)[C@@H]1[C@@H](c2c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc23)[C@H]2C=C[C@H]1C2 104099364 LGWWQMQBPJNCFQ-DMAMZFHHSA-N 380.352 3.005 10 40 GGCB Cc1ccc(S(=O)(=O)NNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 5545750 ZDAVAKVZCKPKGT-UHFFFAOYSA-N 390.446 3.332 10 40 GGCB Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 13008364 LTPYYRFPHOOMCI-HSZRJFAPSA-N 393.531 3.181 10 40 GGCB O=C(O)CN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)SC1=S 1639618 HYOWOVPPXHUVJI-QDEBKDIKSA-N 397.275 3.216 10 40 GGCB Cc1c(CC(=O)Nc2cccc3ncccc23)c(=O)oc2c(O)c(O)ccc12 8765195 MLRAPPIUQNREIM-UHFFFAOYSA-N 376.368 3.242 10 40 GGCB biogenic Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccn1 409245614 WNXWLZBCGOYWJG-QGOAFFKASA-N 386.411 3.156 10 40 GGCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCC3)C2=O)c1 4174719 FSZVGHITOGEMAS-SSZFMOIBSA-N 390.530 3.299 10 40 GGCB COc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)c(OC)c1 4291573 IXAVYVPMVVPIHF-NXVVXOECSA-N 398.465 3.432 10 40 GGCB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 7504939 ICAPRCSZJGQTCU-OAQYLSRUSA-N 384.476 3.210 10 40 GGCB CC(=O)c1cccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408534222 VJFIECQEYLMKFE-GXDHUFHOSA-N 383.791 3.121 10 40 GGCB CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)OC(C)(C)OC3=O)c2C)cc1 408753553 AVPDSFSVYVXTSA-UHFFFAOYSA-N 397.427 3.490 10 40 GGCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nccs1 2951356 HHHQRODKUUBXNQ-NTMALXAHSA-N 381.529 3.435 10 40 GGCB Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1 95959967 ITJOTNVNAWFARM-UHFFFAOYSA-N 387.915 3.141 10 40 GGCB O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(c2ncccn2)CC1 8134644 VCOVBJKULRAYCU-DHZHZOJOSA-N 391.519 3.219 10 40 GGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)OCO4)C2=O)c1 408960760 IQLSZIFBAILLHM-LZYBPNLTSA-N 378.384 3.007 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccnc3)C2=O)cc1 4063586 QQSBMRAEIHPQPP-YBEGLDIGSA-N 399.497 3.320 10 40 GGCB CCOC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 3634689 WIIMUJSSYDHVCJ-UHFFFAOYSA-N 380.238 3.498 10 40 GGCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)c1 17146065 MKSPFNHAZWNGBZ-AQTBWJFISA-N 388.379 3.195 10 40 GGCB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 20452605 BIXWMNGXMMEORO-OAQYLSRUSA-N 384.476 3.006 10 40 GGCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Cl 409374643 VPWUGGPPRABPAP-RIYZIHGNSA-N 388.807 3.382 10 40 GGCB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 223322855 ZWEKXQPUHQAANY-UHFFFAOYSA-N 387.442 3.354 10 40 GGCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C/c1ccccc1 4335198 IPAFYRIRINQPAC-NBVRZTHBSA-N 394.456 3.387 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1 1833392 HNYGSXBLUXIIPE-JXAWBTAJSA-N 394.456 3.387 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COc3c(C)cc(C)cc3C)CC2)cc1 20807141 XNNUCFARPYMRBC-OAQYLSRUSA-N 384.520 3.182 10 40 GGCB CC(=O)Oc1ccc(Br)cc1C=C1C(=O)OC2(CCCC2)OC1=O 58866110 GTZRXIMCGVYJBB-UHFFFAOYSA-N 395.205 3.128 10 40 GGCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 108976745 CRPDSYBJCYWWGC-YYTPVVGHSA-N 381.388 3.234 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S)c1cccs1 409344453 JHBZDXICHVBTGY-XYOKQWHBSA-N 391.455 3.203 10 40 GGCB COc1ccc(N2CCN(C(=O)c3sc(-c4ccncc4)nc3C)CC2)cc1 71283341 IWUIPDZBUFZANQ-UHFFFAOYSA-N 394.500 3.485 10 40 GGCB C=CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(c2ccccc2)C1=S 6027025 UKNJVRBWPXOUBT-XDJHFCHBSA-N 391.496 3.482 10 40 GGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)o3)C2=O)c1 5959768 DCONBWYOJJZHTO-ATVHPVEESA-N 379.416 3.163 10 40 GGCB Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c(C)c1 13116653 UJLQVWZVDZIKMB-UHFFFAOYSA-N 390.490 3.388 10 40 GGCB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccccc1F 5236047 WCJVCHWUVBGAPB-NTEUORMPSA-N 398.444 3.248 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 5851068 PTOJFFRHURENIX-LICLKQGHSA-N 397.412 3.280 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NNc1cc(Cl)ccc1Cl 19117577 LTOSRACWIKSZFA-XFXZXTDPSA-N 391.214 3.077 10 40 GGCB COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 14010250 TVAVZNBEUFSOKY-CPNJWEJPSA-N 377.444 3.388 10 40 GGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Cc1cc(C)cc(C)c1 408879882 HPUANOXYESDDLR-UHFFFAOYSA-N 394.496 3.207 10 40 GGCB COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OC(C)=O 59135247 UHQAWAZCRSKXFN-OQLLNIDSSA-N 398.346 3.266 10 40 GGCB CN1C(=O)/C(=C\c2cn(C)c3ccccc23)C(=O)N(c2ccccc2)C1=S 2287607 DAAZLJUSLUJLAH-SFQUDFHCSA-N 375.453 3.352 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC(C)C)c1 408798454 IJNMCLYGABZCSX-GZTJUZNOSA-N 380.400 3.149 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3S)cc2F)C[C@@H](C)O1 57375217 ZJDFHNGYABYHCS-BETUJISGSA-N 375.469 3.053 10 40 GGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(O)c1 1844884 XNVCHHRPCPSWHJ-JYRVWZFOSA-N 376.484 3.294 10 40 GGCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2nc(CC(N)=O)cs2)c1 10377532 GLNCXOPHUXLFST-UHFFFAOYSA-N 388.880 3.484 10 40 GGCB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 3652527 WBXYZPVJEUITKY-STZFKDTASA-N 391.471 3.233 10 40 GGCB COC(=O)C1=CN(c2ccc(OC)c(Cl)c2)c2cc(F)ccc2S1(=O)=O 64979214 DFPVLNHFXZQQNL-UHFFFAOYSA-N 397.811 3.428 10 40 GGCB CC(=O)Nc1ccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 12136872 LWEQHWFCVCJSOH-MRXNPFEDSA-N 383.429 3.242 10 40 GGCB CN(C)c1ccc(/C=C/c2cc(N(CCO)CCO)c3ccccc3n2)cc1 17121633 XHGZQOSNKUCYTN-JXMROGBWSA-N 377.488 3.262 10 40 GGCB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 5030650 LGWWQMQBPJNCFQ-PPZCWDAYSA-N 380.352 3.005 10 40 GGCB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccnc1 39486708 HDSLJLKHKUPETC-SFQUDFHCSA-N 383.498 3.324 10 40 GGCB CC[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 108986062 SJMCMUMTINQYRA-RQNDZEIBSA-N 396.443 3.343 10 40 GGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1 408768703 IHXCEIZYOFNRCM-XDHOZWIPSA-N 386.411 3.156 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C2/C(=O)N3c4c2cc(C)cc4[C@@H](C)CC3(C)C)S1 8559044 WENYYGWGTHBOJX-MKPGZACHSA-N 383.473 3.104 10 40 GGCB C/C=C/c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(OC)c1 8724136 QREZWBDBKXQZCM-SNAWJCMRSA-N 396.487 3.465 10 40 GGCB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408870709 WLYCVZSPYWYYNN-CXUHLZMHSA-N 386.791 3.111 10 40 GGCB CN(C)C(=O)c1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 225561312 TXXHLERZDHDPNP-UHFFFAOYSA-N 382.533 3.128 10 40 GGCB COc1ccc([C@]2(O)CN(c3ccccc3OC)C3=[N+]2CCCS3)c(F)c1 4086739 IZNCSXPSXNRJHV-HXUWFJFHSA-N 389.472 3.014 10 40 GGCB COC(=O)c1ccc(CN2C(=O)S[C@@H](Nc3ccccc3OC)C2=O)cc1 3272907 ZJQIPAFHIIYENZ-MRXNPFEDSA-N 386.429 3.115 10 40 GGCB CCCN1C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)NC1=S 3667799 WGRFPYHCFIXHJQ-XFFZJAGNSA-N 385.283 3.021 10 40 GGCB CCCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OCC 4942568 BNQACWMCCJHUIF-GHRIWEEISA-N 376.478 3.177 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 10906971 BLJPYUONPOCCOS-UHFFFAOYSA-N 389.839 3.357 10 40 GGCB COc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)c(O)c1 35426306 LDOWDZYOGVPBFQ-KRWDZBQOSA-N 395.463 3.249 10 40 GGCB biogenic,in-vitro O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1CCCN1CCOCC1 102733480 GVBGJYZTEJMHIP-JXAWBTAJSA-N 399.541 3.158 10 40 GGCB COc1ccc(CSCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 408921993 DDUHWDLFXSCXPL-UHFFFAOYSA-N 386.517 3.286 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1cccc(Cl)c1 2258278 OQARYYBVBNMLIE-LCYFTJDESA-N 375.862 3.281 10 40 GGCB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccccc1O 6345758 NNDYTXHNQVFOHN-AQTBWJFISA-N 383.448 3.324 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 1100224 RTTYDINDKZRLFW-RVDMUPIBSA-N 387.436 3.096 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H]3COc4ccccc4O3)ccc21 4088472 YRIHWDCHOWDELZ-FQEVSTJZSA-N 385.375 3.241 10 40 GGCB CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@@H](N=[N+]=[N-])[C@H]1N=[N+]=[N-] 4565860 NHAQKEYPUCFXEJ-QRTUWBSPSA-N 386.376 3.101 10 40 GGCB O=S(=O)(Nc1nccs1)c1ccc(/N=N\c2cnc(O)c(O)c2)cc1 104124494 POQNQKNTISYENR-ZCXUNETKSA-N 377.407 3.166 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccc4)nc3C)CC2)cc1 152375019 WDSWDGNMFDMAEB-UHFFFAOYSA-N 388.471 3.423 10 40 GGCB CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 100136533 YWTRFOQAFFEZPZ-MHWRWJLKSA-N 376.821 3.393 10 40 GGCB in-vitro CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41084955 XIVNFQYWBHBKHX-ZEOUHTHCSA-N 396.520 3.205 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102345510 IKTCNKUZHDUEKS-GVARAGBVSA-N 389.473 3.265 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 4976557 HCEKEWNXAUTVLJ-ATVHPVEESA-N 394.383 3.481 10 40 GGCB Nc1c(NCc2ccccc2)cc(NCCO)c2c1C(=O)c1ccccc1C2=O 5452317 BWXRSSURHWJOAF-UHFFFAOYSA-N 387.439 3.061 10 40 GGCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OCC)c(OCC)c2)SC1=S 1277140 PWMIAODANNVMOI-GDNBJRDFSA-N 395.502 3.248 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2C)cc1 13131717 UFNRULWFTDSZAI-RTBURBONSA-N 392.455 3.237 10 40 GGCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)c1 12438410 QRPFLBNGSUZPSD-CZAWJFPGSA-N 381.475 3.014 10 40 GGCB COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C(O)=NC2=S)cc1 2820610 NMWCLRVVXULFKV-XYOKQWHBSA-N 389.414 3.337 10 40 GGCB COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N1CCC[C@H]1C(=O)O 104766349 OXBXEAIWPZCQDU-CVTQAYBASA-N 389.433 3.348 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 103785890 OIKLWIHODZGJFT-QGOAFFKASA-N 392.415 3.238 10 40 GGCB COc1ccc(Cn2[nH]c3c4c(ccc3c2=O)C(=O)c2ccccc2C4=O)cc1 4860570 TVKCABSKWGOKBC-UHFFFAOYSA-N 384.391 3.162 10 40 GGCB CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 15012674 QFMGCLFBXWWNAC-WJDWOHSUSA-N 385.876 3.237 10 40 GGCB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(N(C)C)cc1 7361699 YGWJDNDSKOITAA-UHFFFAOYSA-N 398.898 3.057 10 40 GGCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)SC1=S 409006760 LHJXIANUBFYBCX-WDZFZDKYSA-N 387.866 3.033 10 40 GGCB COc1ccc2c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(C)n(C)c2c1 11615982 CJLPERSYDHXVLH-DHDCSXOGSA-N 390.486 3.171 10 40 GGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1 5373287 ZYYCMGMHMIZZPQ-PFONDFGASA-N 379.397 3.098 10 40 GGCB CN1CCCc2cc(CN3CCc4c(O)nc(-c5cccnc5)nc4C3)ccc21 19589314 WZGPPIKQLJXPTF-UHFFFAOYSA-N 387.487 3.185 10 40 GGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)NCc3ccccc3)C2=O)cc1 4070688 GUZSUMLLPRNBBS-GZTJUZNOSA-N 398.509 3.213 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1Cl 2197777 VERLSFILVRVEHZ-MHWRWJLKSA-N 383.835 3.381 10 40 GGCB CC(=O)Nc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 4291569 OTSGHPPTLXBRKN-NXVVXOECSA-N 395.465 3.373 10 40 GGCB COCCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2OC)C1=O 409233110 QJHXWYKUNFHXIL-SFQUDFHCSA-N 376.478 3.368 10 40 GGCB Cc1ccc(NN/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1C 408528378 HLVUPFPWNKDSOD-GXDHUFHOSA-N 384.823 3.040 10 40 GGCB CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C(=N)N2O1 41078381 XDHXKNGRRSQFPP-KPZJPCGCSA-N 379.397 3.418 10 40 GGCB CCc1cc2c(CN3CCN(c4ccc(OC)cc4)CC3)cc(=O)oc2cc1O 54147537 OMMKLWMWENJQGN-UHFFFAOYSA-N 394.471 3.392 10 40 GGCB biogenic Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2O)nn1-c1ccc(Cl)cc1 42117457 MMJLRRASLMHSCQ-UHFFFAOYSA-N 383.835 3.172 10 40 GGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccnc2)C1=O 16695944 TXSKTJXLPVVKOR-WJDWOHSUSA-N 399.497 3.320 10 40 GGCB COc1ccc(-n2c(C)cc(CN3C[C@@H]4CCCN4C[C@@H]3CCO)c2C)cc1 19567537 XZZUFNMDXRNGBQ-VXKWHMMOSA-N 383.536 3.134 10 40 GGCB Cn1c(=O)c(C(=O)C[C@@H](N)c2c(O)ccc3ccccc23)c(O)c2ccccc21 104827630 JGNATZADAZTCGQ-MRXNPFEDSA-N 388.423 3.376 10 40 GGCB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCCC2)c1O 7986624 AGQQEMFRZRNFKT-MRXNPFEDSA-N 385.489 3.236 10 40 GGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409097975 OCVHBZIKMXMSRH-MHWRWJLKSA-N 397.381 3.231 10 40 GGCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 409096881 GVVYFXIEHAQCDH-ZRRZQRFHSA-N 378.425 3.024 10 40 GGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(C)C 13915592 VGVXLECRUBSDHQ-BOPFTXTBSA-N 394.427 3.457 10 40 GGCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8800999 AIBQFVBEJLFDTB-JOCHJYFZSA-N 399.560 3.103 10 40 GGCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 108422998 FIHLPMQSGQIXJF-YRNVUSSQSA-N 375.724 3.346 10 40 GGCB N#CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 109036976 PGNIIOVHTFQLME-JYRVWZFOSA-N 388.210 3.357 10 40 GGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 4356849 RMTBGGGXDKGXOC-KWJWQAOWSA-N 381.475 3.158 10 40 GGCB COCc1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 47520921 AOLGLDRUFXEHMF-UHFFFAOYSA-N 383.492 3.363 10 40 GGCB O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1N1CCOCC1 54360929 QJRUILKSGFPWGA-UVTDQMKNSA-N 391.905 3.337 10 40 GGCB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217023484 FTJXOZPRLWLXBI-INIZCTEOSA-N 387.911 3.176 10 40 GGCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1 47423598 WPZWOUMQAKAWLG-UHFFFAOYSA-N 381.520 3.279 10 40 GGCB COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1C 12536746 AAKMIGATHBETAP-UHFFFAOYSA-N 384.476 3.121 10 40 GGCB CCOC(=O)N1CCN([C@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 19681933 GGKDGGOBULIRBB-HXUWFJFHSA-N 392.459 3.199 10 40 GGCB CCN1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)N(c3ccc(Cl)cc3)O[C@H]2C1=O 101997572 FJDLKGQIFWRIDC-IPMKNSEASA-N 399.878 3.272 10 40 GGCB C[C@@H](N/C=C1/C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 2397007 JCMLTNOVOJIXNP-SULWINFOSA-N 383.517 3.355 10 40 GGCB O=C1C[C@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)N1c1ccccc1 5350493 FQYOCVMAORQVJO-CNYBTUBUSA-N 394.477 3.220 10 40 GGCB Cn1c(/C=C2/C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O 33248109 WDPQTKPTOJLMIT-UKTHLTGXSA-N 382.217 3.189 10 40 GGCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c(C)[nH]c4ccccc34)CC2)cc1 20722268 VOKIHLPLKKUGEY-OAQYLSRUSA-N 379.460 3.433 10 40 GGCB COc1ccc(N2CCN(CCCNC(=O)c3cccc(Cl)c3)CC2)cc1 11853438 DVYMFJCVYSHJIF-UHFFFAOYSA-N 387.911 3.291 10 40 GGCB COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(c2ccccc2)C(=O)N=C1O 13804646 KMMOIKCTQKLXDX-NTEUORMPSA-N 382.372 3.219 10 40 GGCB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 409214160 WAZBPCWQIHPTOK-OVCLIPMQSA-N 388.445 3.096 10 40 GGCB Cc1cccc(CC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8963340 IKZZSERIBIPVFX-HSZRJFAPSA-N 377.532 3.483 10 40 GGCB COC(=O)c1cc2ccccc2c(CN2CCN(c3ccccn3)CC2)c1O 24045507 NKXUNHGYIMLUJN-UHFFFAOYSA-N 377.444 3.049 10 40 GGCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 59435684 UOTCCPFGLIEIRE-AQTBWJFISA-N 393.439 3.316 10 40 GGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1OCC 6155823 XTMLNJMVWZRINQ-GXDHUFHOSA-N 381.475 3.160 10 40 GGCB Cc1cc(/C=C2\NC(=S)NC2=O)c(C)n1-c1ccc(Br)cc1 13809871 DDMJJZPGGRKWMD-ZSOIEALJSA-N 376.279 3.202 10 40 GGCB Cc1cc(C)n(CCCNC(=O)CSc2ncc(-c3ccccc3)n2C)n1 7131093 QVVWQAAFWFIHFU-UHFFFAOYSA-N 383.521 3.199 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2C)cc1 102373785 UFNRULWFTDSZAI-KDURUIRLSA-N 392.455 3.237 10 40 GGCB Cc1cc(=O)c(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1ccccc1Cl 7243628 BAXSPAVVHIUDCQ-UHFFFAOYSA-N 396.878 3.190 10 40 GGCB O=C1C[C@@H](N2CCC[C@H](O)C2)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 25425632 YUQYYLXVHCWDMG-OEUUXRTASA-N 378.432 3.191 10 40 GGCB CCOC(=O)C(=Cc1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C)C(=O)OCC 408743314 SBGYXCWNLATRLB-UHFFFAOYSA-N 399.443 3.390 10 40 GGCB O=C(COc1ccccc1/C=C1\SC(=S)NC1=O)Nc1ccc(F)cc1 4316852 RFHXNJDXVWWFOJ-DHDCSXOGSA-N 388.445 3.332 10 40 GGCB COc1ccc(N2CCN(CCC(=O)NCc3ccccc3Cl)CC2)cc1 32870736 CHDMQLVFGZJRBZ-UHFFFAOYSA-N 387.911 3.177 10 40 GGCB Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1-c1ccccn1 9610157 VYDDADNSZQBWNX-UHFFFAOYSA-N 394.475 3.173 10 40 GGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408528184 FMZVNWORFWQGNK-PDGQHHTCSA-N 389.459 3.212 10 40 GGCB COc1ccc(-c2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 20437127 YJACCPIZFPHFDJ-UHFFFAOYSA-N 381.428 3.315 10 40 GGCB biogenic CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)[C@H]1/N=N\c1ccccc1 100245001 QDTMJKXRTWLGGY-IJYGLTAASA-N 392.824 3.462 10 40 GGCB COc1cccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1O 13350083 JWGRPVVOMKLPMC-RAXLEYEMSA-N 381.475 3.247 10 40 GGCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccco3)C2=O)ccc1Br 4704231 ZFAJCBMDDYZFHI-WQLSENKSSA-N 375.178 3.017 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(C2CC2)n1C1CC1 7105638 XRUDRPCOXYVMSU-UHFFFAOYSA-N 385.537 3.307 10 40 GGCB CCCCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 27530592 ZUWNIOUURYVZAS-XNTDXEJSSA-N 395.502 3.248 10 40 GGCB O[C@]1(c2ccccc2)CN(c2ccc(Br)cc2)C2=[N+]1CCS2 22404215 UFXMGYGSMNDTNU-KRWDZBQOSA-N 376.299 3.230 10 40 GGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2COc3ccccc3O2)cc1 9338757 PXXUEQXBJHRGJF-SIKLNZKXSA-N 396.487 3.100 10 40 GGCB CCOC(=O)c1ccccc1NC(=S)N1CCN(c2ccc(OC)cc2)CC1 4767837 VBRXGXQNHAQNEZ-UHFFFAOYSA-N 399.516 3.391 10 40 GGCB CCCCN1C(=O)/C(=C\NC(c2ccccc2)c2ccccc2)C(=O)NC1=S 5870530 PJZFLWISIGUKME-SDXDJHTJSA-N 393.512 3.293 10 40 GGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(C(=O)O)cc2)S1 35043215 XFZDIPZMZJLNAI-OVCLIPMQSA-N 382.397 3.474 10 40 GGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 5891955 XTCFMAFTEQISPC-SDQBBNPISA-N 378.171 3.363 10 40 GGCB Cc1cc(C(=O)N[C@@H](C)c2nc[nH]n2)c(C)n1-c1cccc(Br)c1 72306696 NQODYERALCOUBC-NSHDSACASA-N 388.269 3.466 10 40 GGCB O=C(NN1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S)c1ccncc1 13732357 PZLWLFZCQRPENE-LFIBNONCSA-N 392.465 3.176 10 40 GGCB O=S(=O)(Nc1ccc(Br)cc1Cl)c1cccc2nonc12 14256575 SXWPXMPDMZYHNA-UHFFFAOYSA-N 388.630 3.440 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](CC(C)C)C3=O)c2C)cc1 6830398 NDMGTDREIIMWOY-IBGZPJMESA-N 397.475 3.252 10 40 GGCB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8963061 CTSVJSFRBGRXSZ-LJQANCHMSA-N 387.911 3.374 10 40 GGCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1ccc(C(C)(C)C)cc1 101651233 YEROWEAWYHDGRA-LFIBNONCSA-N 375.436 3.140 10 40 GGCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 57851798 VWBKAZFEJTWZNN-MRXNPFEDSA-N 381.476 3.047 10 40 GGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OC 408982292 GICATBSIKXCFDX-ATVHPVEESA-N 394.427 3.323 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OC(C)C 408913065 SHRPUOZXKLNXAH-MHWRWJLKSA-N 398.390 3.288 10 40 GGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)NC1=S 409391617 KFAUJCNGQYYSKI-GZTJUZNOSA-N 381.501 3.358 10 40 GGCB CCC[C@H]1NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(OCC)cc3)c2C)C1=O 14345111 TYDQIUAZGHBFGQ-LJQANCHMSA-N 397.475 3.396 10 40 GGCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O 409203698 XHTHZRAYUAQOAP-RIYZIHGNSA-N 385.763 3.223 10 40 GGCB CCCCN1C(=O)/C(=C/Nc2ccc(N3CCCCC3)cc2)C(=O)NC1=S 17207330 PCNAAEBZVZZZGE-SAPNQHFASA-N 386.521 3.016 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(Br)c2)C1=O 6479459 QRJXMDSKAIJQNF-GXDHUFHOSA-N 385.217 3.424 10 40 GGCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3CCN(C)CC3)c(O)ccc12 19369816 MNACPHVXJWATKD-UHFFFAOYSA-N 378.472 3.145 10 40 GGCB biogenic CCCc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12639558 QITWFMLKPLAIHM-UHFFFAOYSA-N 388.533 3.296 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)OCO4)C(=O)N=C2O)cc1 2594524 QDDFYLVPAQGIBI-AWNIVKPZSA-N 384.775 3.248 10 40 GGCB COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccc1N1CCCC1=O 31728346 LIZVMOMQVVROOD-UHFFFAOYSA-N 382.464 3.210 10 40 GGCB COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 1138865 RYNSFZVUENDLBC-BIENJYKASA-N 393.395 3.231 10 40 GGCB COc1ccc(N2CCN(C(=O)CSc3nncc4ccccc34)CC2)cc1 12537915 PBJOSCOSGJGZJG-UHFFFAOYSA-N 394.500 3.079 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 12563311 CJJQZTXVDVPNOW-IBGZPJMESA-N 383.536 3.426 10 40 GGCB CN(C)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 13633494 YCBAAIHNRSCBNY-WJDWOHSUSA-N 382.876 3.085 10 40 GGCB CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 35898098 APGBSEMNLDDZGK-PKIAMQTDSA-N 389.473 3.265 10 40 GGCB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 54035816 SCAUHEWZNFRCJO-FOIQADDNSA-N 384.501 3.085 10 40 GGCB Cc1noc(NS(=O)(=O)c2ccc(/N=N\c3cnc(O)c(O)c3)cc2)c1C 104124350 XGKIWRUJQWLFSH-HNENSFHCSA-N 389.393 3.314 10 40 GGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1O 13685354 UUMAKVHIVGXRNI-WJDWOHSUSA-N 380.400 3.020 10 40 GGCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=CSC3=NC2=O)o1 41076631 LOEZZEXQAFUFHN-ZBVGZUJGSA-N 381.373 3.412 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccc(Br)c(N)c3)CC2)cc1 256050519 FILZZJUPKRCQCB-UHFFFAOYSA-N 390.281 3.002 10 40 GGCB Cc1c(CC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(=O)oc2c(O)c(O)ccc12 12896953 UBHNQTCRMPUFPX-MCMMXHMISA-N 385.460 3.482 10 40 GGCB Cc1noc(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 48356185 GQDSXVFWVNQZHP-OKILXGFUSA-N 389.471 3.293 10 40 GGCB CCCCNC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 4263400 UNNMDTXRDXXYNB-QINSGFPZSA-N 378.519 3.203 10 40 GGCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 4741019 LMBJBKAAHYCIPH-QGOAFFKASA-N 399.516 3.254 10 40 GGCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 409024421 SHESMFXMRVZNRY-BOPFTXTBSA-N 379.412 3.234 10 40 GGCB O=C(C1=CN(c2cccc(F)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1 48988637 QJWIZHRWRCFUOC-UHFFFAOYSA-N 390.411 3.354 10 40 GGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 9484590 ZQNVGQATEPSXGF-NHXNDTTKSA-N 375.471 3.316 10 40 GGCB CCNc1nc(NCC)n2c(S[C@@H](C)C(=O)c3ccc(C)cc3)nnc2n1 4279690 DSCLKBVAIGHLDX-LBPRGKRZSA-N 385.497 3.055 10 40 GGCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5552981 IALFCOQIBSTZDV-YBEGLDIGSA-N 398.465 3.054 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CCOCC3)ccc21 22733422 BOWYKECULZKCMQ-NRFANRHFSA-N 399.922 3.136 10 40 GGCB CC[C@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108978130 SNVJFDPHSVMVAM-CCNLRRDASA-N 379.460 3.391 10 40 GGCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409203001 VUIYMYIQEAZXOJ-WJDWOHSUSA-N 395.371 3.259 10 40 GGCB O=C([C@@H]1CCCN(Cc2cc(Br)ccc2O)C1)N1CCCCC1 1252983 ZMANJYIMOJSBKQ-CQSZACIVSA-N 381.314 3.379 10 40 GGCB CCN(CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(OC)c1O 9260790 LURJRUSBPVZVKQ-MRXNPFEDSA-N 387.505 3.482 10 40 GGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NNc3ccc(C)c(C)c3)C2=O)c1 408528070 FCKVQPHISQJUEV-GZTJUZNOSA-N 378.432 3.004 10 40 GGCB Cc1ccccc1Cn1cccc1/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 13689019 LIZGTYWOOGITSX-UNOMPAQXSA-N 389.411 3.100 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1 17299988 QKOUEYHJUZNYFQ-QGOAFFKASA-N 399.491 3.336 10 40 GGCB CC(C)c1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 27530435 IWMBJDCNVCGAIG-OZYJXZHSSA-N 393.486 3.329 10 40 GGCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cccc2ccccc12 408527065 DULTYLKPMUYYTR-XDJHFCHBSA-N 385.423 3.457 10 40 GGCB CC1(C)OC(=O)C(=CNc2nc(-c3cc4ccccc4oc3=O)cs2)C(=O)O1 35592626 WFUOOADSQKIFFU-UHFFFAOYSA-N 398.396 3.048 10 40 GGCB O=C(O)[C@H]1CCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)coc12 27046945 WZOBJNOPFAHZTE-QGZVFWFLSA-N 383.375 3.354 10 40 GGCB biogenic O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccs1 977476 QKOHEHRYBROKDJ-WQLSENKSSA-N 393.287 3.342 10 40 GGCB Cc1ccc(O)c(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037978093 ZZWNFDJRHQJOKI-UHFFFAOYSA-N 384.451 3.238 10 40 GGCB O=S(=O)(c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1cccnc1 95946359 XWXKSOUCNGDAFZ-LJQANCHMSA-N 379.441 3.327 10 40 GGCB O=C1O[C@@H](C2C(=O)c3ccccc3C2=O)C(Br)=C1Oc1ccccc1 101462895 ULFJRBIJYIYSAJ-KRWDZBQOSA-N 399.196 3.293 10 40 GGCB COc1ccc(N2N=C(C)/C(=C(\C)NCCOc3ccccc3OC)C2=O)cc1 103916962 XBJFOMNBXVQWBM-QNGOZBTKSA-N 395.459 3.369 10 40 GGCB CC[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 108986065 SJMCMUMTINQYRA-FMNVXAMXSA-N 396.443 3.343 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccccc1Cl 13228284 NAYHRUHWFCIJES-LCYFTJDESA-N 375.862 3.281 10 40 GGCB CN(C)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 49003765 HPBXDEXHUCYTBF-UHFFFAOYSA-N 397.500 3.142 10 40 GGCB COCCCN1C(=O)/C(=C\c2ccccc2Br)C(C(=O)OC)=C1C 6348340 SYUODRSPNJGNHW-KAMYIIQDSA-N 394.265 3.158 10 40 GGCB CN(C)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 43453060 RDFDWYHOBGIUDU-UHFFFAOYSA-N 383.420 3.071 10 40 GGCB Cc1c(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc2n1C 59249446 YULLEGULHLWSPE-BOPFTXTBSA-N 377.375 3.292 10 40 GGCB Cc1cc(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c(C)n1-c1ccccc1F 3303588 UIFVDCHRXIUYTE-QGZVFWFLSA-N 385.439 3.382 10 40 GGCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 408960634 NJEIAQOWVGTEHG-XMHGGMMESA-N 391.496 3.427 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OCC 16713732 XTMLNJMVWZRINQ-UVTDQMKNSA-N 381.475 3.160 10 40 GGCB CCc1ccc(N2C[C@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2SCCC3)cc1 2965917 ZGWDBILLCBZSBZ-QFIPXVFZSA-N 399.536 3.437 10 40 GGCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cccc(F)c1 107892612 UWERONWULJFLMZ-WQLSENKSSA-N 393.802 3.362 10 40 GGCB CCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1OC 16819008 IMMXXAJMDOWWQQ-AHEVQNHNSA-N 381.475 3.158 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 120679786 DBEXKYGWKYXDOQ-UHFFFAOYSA-N 393.802 3.154 10 40 GGCB COc1ccc(N2CCN(C(=O)CN(C)Cc3ccc(Cl)cc3)CC2)cc1 7493863 KBLSZCZMPFNJNY-UHFFFAOYSA-N 387.911 3.129 10 40 GGCB COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C)CC2)ccc1O 4812357 KMZDBUVQRWIWFK-GOSISDBHSA-N 379.460 3.366 10 40 GGCB Cc1ccc(O)c(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037977800 KFHHEWHPBYJBCC-UHFFFAOYSA-N 384.451 3.238 10 40 GGCB COCCn1c(C)cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c1C 59087171 RCMISGJCIMUTMJ-LDADJPATSA-N 381.432 3.254 10 40 GGCB O=C1NC(=S)S/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 4738607 ULVXROFTXRJOPQ-VIZOYTHASA-N 384.438 3.470 10 40 GGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC 408801816 BYWLQOBOMQKYDW-MDWZMJQESA-N 386.791 3.024 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc21 3844881 XWHWOCMPBKHMRB-UHFFFAOYSA-N 377.421 3.404 10 40 GGCB biogenic CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccsc3)C2=O)c1 886183 DTFHWUCJTYBBBU-NTEUORMPSA-N 386.429 3.212 10 40 GGCB CC(=O)[C@H](C)S[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 79001616 QELLUTZSFVQSJA-QWHCGFSZSA-N 381.453 3.500 10 40 GGCB CC(C)c1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 217012119 UHMSITZSEUDLCT-UHFFFAOYSA-N 381.520 3.257 10 40 GGCB COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc(OC)c1O 35040724 NWSWLGSAQGIJBH-RIYZIHGNSA-N 377.443 3.404 10 40 GGCB CCN(CC)c1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1 109714503 PSDBZFNJCMDHHE-ATVHPVEESA-N 397.431 3.005 10 40 GGCB CCOc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 38655233 UIAMQALRDXNEHU-UHFFFAOYSA-N 398.484 3.475 10 40 GGCB COc1ccc(N2CCN([C@H](CNC(=O)C(C)(C)C)c3ccco3)CC2)cc1 56946090 XNPLNPHCIRLMQO-LJQANCHMSA-N 385.508 3.314 10 40 GGCB O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccccc1 8361825 QBMSEXQVXRTXHM-UVTDQMKNSA-N 380.454 3.109 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc([N+](=O)[O-])cc1 35623426 UDUQMRIIZOSCLW-NBVRZTHBSA-N 394.456 3.387 10 40 GGCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc2ccccc2c1 408594375 OUXXSUIJKGVJCY-YBFXNURJSA-N 389.411 3.225 10 40 GGCB Cc1ccc(OCCCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 216946683 GDZQRVMVYUPDLN-UHFFFAOYSA-N 381.520 3.222 10 40 GGCB COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCC[C@@H](C)C2)=NC1=O 639502 OORGEFKJKYQRFI-AXIYWZQUSA-N 376.478 3.415 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccco2)SC1=S)c1ccc(OC(F)F)cc1 1255244 PVSUMWFMBNEGRW-WQLSENKSSA-N 396.396 3.427 10 40 GGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 1281124 YDGHGMUNHGTZMW-GDNBJRDFSA-N 399.453 3.449 10 40 GGCB Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)on1 5279129 YNKBNFQFKSIJSR-UHFFFAOYSA-N 382.372 3.159 10 40 GGCB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c(O)c1 6351138 XZGWGTAAVWYVST-LJQANCHMSA-N 397.431 3.066 10 40 GGCB COC(=O)CCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 82087372 XCQHDIVHOVRLRN-DHZHZOJOSA-N 375.393 3.470 10 40 GGCB Cc1cn(-c2ccccc2)nc1NC(=O)NCc1ccc(N2CCOCC2)cc1 106543235 SLTVTTZOGPPTPP-UHFFFAOYSA-N 391.475 3.339 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1OC 1236798 FPEZMCUEHIOQSA-KQGZCTBQSA-N 395.502 3.404 10 40 GGCB Fc1cc(CNCc2csc(-c3ccccn3)n2)ccc1N1CCOCC1 48252238 YFDJNGCRGFWFQH-UHFFFAOYSA-N 384.480 3.471 10 40 GGCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3cccc(Cl)c3)c2C(N)=O)C1 7409943 NTLYEDUPXYBEOP-VIFPVBQESA-N 384.910 3.426 10 40 GGCB COC(=O)/C=C/c1ccc(N2CCC[C@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 89894135 PRCQOGYRWGEFBQ-DYLHUKMJSA-N 399.451 3.337 10 40 GGCB O=C(O)CCCN1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S 16669726 MUKPAQHDMIRJBE-AMZNHEOCSA-N 378.431 3.217 10 40 GGCB COC(=O)c1[nH]c2ccccc2c1/N=N/N1C[C@@H]2C[C@@H](C1)Cn1c2cccc1=O 2146567 IXWNPEOFLGJGLY-LQZCZBAPSA-N 391.431 3.234 10 40 GGCB biogenic CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)ccc1OC(C)C 980750 YHCLNSHSMVOGIA-UHFFFAOYSA-N 390.505 3.251 10 40 GGCB COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])c1 95406126 DXUGNKDDCMIEIL-FUVBFXSKSA-N 398.419 3.425 10 40 GGCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1C 6507425 YDPMOZPLYCCSIS-SNVBAGLBSA-N 378.519 3.389 10 40 GGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 4999671 QNKXKHJDAIGVMR-ZHZULCJRSA-N 379.416 3.347 10 40 GGCB Cn1ccnc1[C@@H](O)C1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506408736 ZSDXDSPJPSLUAX-QHCPKHFHSA-N 394.563 3.323 10 40 GGCB Cc1ccc(/C=C/c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 39835410 YTZXFUWDAXLAPN-NIEGGPFSSA-N 388.496 3.244 10 40 GGCB CCOC(=O)Cn1c(C)c(C=C2C(=O)OC3(CCCC3)OC2=O)c2ccccc21 1414640 AHUHWEQAEBEVOI-UHFFFAOYSA-N 397.427 3.267 10 40 GGCB Cc1c(CC(=O)NCc2c(F)cccc2Cl)c(=O)oc2c(O)c(O)ccc12 5350263 DVIBKPIYDKWXIH-UHFFFAOYSA-N 391.782 3.164 10 40 GGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1 5552972 RNYZFSVZAGAGGJ-YBEGLDIGSA-N 382.466 3.354 10 40 GGCB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)NCCOc2ccccc2)cc1 7780139 JGPRPNXZXOKGFN-UHFFFAOYSA-N 391.471 3.019 10 40 GGCB Cn1c(=O)c(C(=O)C[C@H](N)c2c(O)ccc3ccccc23)c(O)c2ccccc21 104827627 JGNATZADAZTCGQ-INIZCTEOSA-N 388.423 3.376 10 40 GGCB CNc1ccc(NS(=O)(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O 5345033 HEJZTDHKSMXKSD-UHFFFAOYSA-N 392.436 3.305 10 40 GGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 5694984 AMJBIUKXOQTZER-NBVRZTHBSA-N 378.432 3.112 10 40 GGCB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1Br 26357990 RRRSBDHXNBGYMR-UHFFFAOYSA-N 399.310 3.002 10 40 GGCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 38851107 YNRPTGOVMHXLTB-OAQYLSRUSA-N 393.531 3.256 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)S1 409025803 XBZCWTPEVRDGSJ-YVLHZVERSA-N 397.412 3.280 10 40 GGCB Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc2n1C 408852443 FXQKTDJLKSWAQX-GZTJUZNOSA-N 377.375 3.292 10 40 GGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 33550875 QLSWUBZMOHEAFY-XNTDXEJSSA-N 388.445 3.381 10 40 GGCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc2c(c1)C(=O)NC2=O 16160803 KJYAOSPOSMKQHN-UNOMPAQXSA-N 396.406 3.442 10 40 GGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)cc1 5373303 NSXQSSXUCPIRID-MSUUIHNZSA-N 392.440 3.074 10 40 GGCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1Cl 13009428 GXMZJZDSEDWYOM-UHFFFAOYSA-N 395.289 3.166 10 40 GGCB CN1CCN(c2ccc(CNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 217011281 ICTHUKVPVQIGMD-UHFFFAOYSA-N 395.547 3.431 10 40 GGCB Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1ccccc1F 5261924 UFSWKQCNHDGLQL-UHFFFAOYSA-N 376.391 3.221 10 40 GGCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)s1 8798882 GQTZVFZDTVTOEE-GOSISDBHSA-N 393.578 3.020 10 40 GGCB CNC(=O)C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 25046243 QLTAZIZRRNZYCH-UHFFFAOYSA-N 377.282 3.266 10 40 GGCB COc1ccc(N2CCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 57363716 YXIHFZNSUALXFQ-OQOKOFKUSA-N 397.563 3.291 10 40 GGCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)c(Cl)c1 4551292 CCOGCXPBPZHPKX-GHXNOFRVSA-N 376.796 3.016 10 40 GGCB CN(C)c1ccc(CNC(=O)[C@@H]2CC3(CCNCC3)Oc3ccccc32)cc1 96156835 QXRYEIIYVOPTRK-HXUWFJFHSA-N 379.504 3.057 10 40 GGCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 655851 HXUVCFPMTQSBLR-UHFFFAOYSA-N 387.892 3.346 10 40 GGCB COc1ccc(OC)c(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)c1 17041165 FDRMHBSOGZLCMN-OAQYLSRUSA-N 385.509 3.183 10 40 GGCB COC(=O)c1ccccc1NC(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O 36635228 WOWCOVCTKTVCGF-HNNXBMFYSA-N 384.413 3.070 10 40 GGCB COc1cc(Cl)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956707 SNSMZVZSRARNDD-UHFFFAOYSA-N 377.901 3.225 10 40 GGCB Cc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 409001499 WIBWRWHCDKOPGN-UHFFFAOYSA-N 385.851 3.490 10 40 GGCB COc1cc(C)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 409083942 UXEXABUZDZIDPL-WPBJZHHJSA-N 379.503 3.392 10 40 GGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 5284636 JDDFFXRUAPFICG-YFBAIUBQSA-N 380.447 3.295 10 40 GGCB CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)s1 4745414 CWBLBUKMHHCPQP-RMKNXTFCSA-N 396.544 3.002 10 40 GGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 8846031 RLDJPHWGAICMOE-FQEVSTJZSA-N 383.448 3.482 10 40 GGCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(Cl)nc2ccccn12 98093942 RAYYELUCPMBCKQ-UHFFFAOYSA-N 398.894 3.126 10 40 GGCB Cc1nc2c(C)cccn2c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 19716774 ULJKRURNIXFFIB-INIZCTEOSA-N 378.476 3.279 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCC2 4659709 MNNWCESDFLWSFC-BVIHXZOGSA-N 391.489 3.489 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 6525680 CMDLVPHUZMUYLX-OJBMOBIPSA-N 391.489 3.345 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 4691440 GJGILHBPXDVVHK-OQLLNIDSSA-N 386.860 3.488 10 40 GGCB COc1cc(/N=c2\scc(-c3ccc(O)c(O)c3)n2C)cc(OC)c1OC 101720464 WBZLUWJZJSVSBS-VXPUYCOJSA-N 388.445 3.423 10 40 GGCB Cc1ccc(NC(=O)CN2CCN(Cc3c(O)ccc4ccncc34)CC2)cc1 21970710 WGLZCOCDZUEFLT-UHFFFAOYSA-N 390.487 3.005 10 40 GGCB O=C(CN1CCN(Cc2cc3c(cc2O)CCC3)CC1)Nc1ccccc1Cl 22795798 ZTRCJZGYHVYNIC-UHFFFAOYSA-N 399.922 3.291 10 40 GGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1OC(C)C 409008993 AYSFYQDOSLHHMG-SFQUDFHCSA-N 394.427 3.457 10 40 GGCB O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)c1 2966023 PVDMCNYWLSARFA-GOSISDBHSA-N 390.872 3.419 10 40 GGCB Cc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1 4743324 XWUQIQNKSGGIPL-JYRVWZFOSA-N 391.246 3.182 10 40 GGCB COc1ccc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)c(OC)c1 35042516 JQYVTLQFGMWOFN-CXUHLZMHSA-N 384.413 3.484 10 40 GGCB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 1022594 SYJWRERKFMQFGQ-OQFOIZHKSA-N 378.258 3.288 10 40 GGCB COc1ccc(CCN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 101469805 OAABIPRXFFTFIE-ZHZULCJRSA-N 394.431 3.432 10 40 GGCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3cccc(Cl)c3)c2C(N)=O)C1 7409942 NTLYEDUPXYBEOP-SECBINFHSA-N 384.910 3.426 10 40 GGCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 408769924 QRTZYTLCWHEQKL-UNOMPAQXSA-N 377.444 3.020 10 40 GGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1 408799813 LLLGLSJBALKYHV-LDADJPATSA-N 380.400 3.149 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1cccc(Cl)c1 13228283 ITYJPEGYMVJQNF-JYRVWZFOSA-N 375.862 3.281 10 40 GGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(Cl)c3)C2=O)cc1 408875748 HIYFZOXRLWHEBT-LFIBNONCSA-N 398.802 3.183 10 40 GGCB CCCCCCN1C(=O)NC(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C1=O 100794276 ZGIRXGPPFSTNHA-OBGWFSINSA-N 386.496 3.487 10 40 GGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC(C)(C)C 4736895 GJAHXJUSJWDPLL-WJDWOHSUSA-N 386.477 3.224 10 40 GGCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C4CC4)C3=O)c2C)cc1 2265135 JIYISYNRMFTZKK-WOJGMQOQSA-N 379.485 3.192 10 40 GGCB CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 4263426 LUKIYTJTJQOWFN-GDNBJRDFSA-N 393.486 3.350 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 13750442 HEUKWKIXVKRQLE-UVTDQMKNSA-N 381.475 3.160 10 40 GGCB C=C/C=C(/C=C1\C(=O)NN=C1c1c(O)c2ccccc2n(C)c1=O)C(\Cl)=C/C 3850436 ZQARZXOMRWBROA-OYIJMNDBSA-N 395.846 3.259 10 40 GGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408528127 FGJBRAXTRUMDDW-GDNBJRDFSA-N 396.363 3.035 10 40 GGCB Cc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc(C)c1O 38182319 ULFILLUWZMHPSE-VGOFMYFVSA-N 380.356 3.244 10 40 GGCB CCc1nc2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc2n1C 225897365 LTCLNDNQKMJKPK-UHFFFAOYSA-N 378.476 3.107 10 40 GGCB CC(=O)[C@@H](C)S[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 79001612 QELLUTZSFVQSJA-OLZOCXBDSA-N 381.453 3.500 10 40 GGCB CN1CCCc2cc(CNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)ccc21 58770268 YBJLEHSCNQHVRH-UHFFFAOYSA-N 391.431 3.093 10 40 GGCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 20528809 NCPHJROREISISJ-UHFFFAOYSA-N 391.811 3.346 10 40 GGCB O=C(O)[C@H]1CCCN1Cc1c(O)ccc2c(=O)c(Oc3ccccc3F)coc12 4025927 YTALDJDWADFXGM-OAHLLOKOSA-N 399.374 3.479 10 40 GGCB biogenic COCCN1C(=O)/C(=C/c2cn(CC(C)C)c3ccccc23)C(O)=NC1=S 5944681 VYVNKUKTVQMWHX-MHWRWJLKSA-N 385.489 3.411 10 40 GGCB COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 217017786 REVYTYAEOXRJCN-QGZVFWFLSA-N 399.560 3.244 10 40 GGCB CN(C(=O)c1c[nH]nc1[C@@H]1CCNC1)c1ccc(OCc2ccccc2)cc1 662810195 NRFLFBAJGPJGIF-QGZVFWFLSA-N 376.460 3.342 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(O)c1 4859648 GPDLYDSQQMHBCK-LDADJPATSA-N 393.443 3.213 10 40 GGCB CC(=O)Nc1ccc(C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 18155888 FMXCMPGXFNIZAI-UHFFFAOYSA-N 377.429 3.440 10 40 GGCB COc1cccc(/C=C2/SC(NNc3nc(C)c(C)s3)=NC2=O)c1O 17221908 HTRXFQOHRYUQQD-KPKJPENVSA-N 376.463 3.061 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 4475184 YPJWNMHWDXRXSG-VBKFSLOCSA-N 383.379 3.075 10 40 GGCB O=C1/C(=C/N2CCN(c3ccccc3)CC2)SC(=S)N1Cc1ccco1 30819321 FRTOYWGVNIMGIG-VKAVYKQESA-N 385.514 3.304 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1nc(-c2ccccc2)cs1 16493326 BNCNJASRDOGLND-PTNGSMBKSA-N 390.424 3.389 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2ccccc2)CC1 22427331 LUOBSEUJHBRASK-UHFFFAOYSA-N 379.504 3.396 10 40 GGCB CCCC(=O)NC[C@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1 100766630 VNVBIPTYJPITLR-IZAXUBKRSA-N 385.552 3.408 10 40 GGCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 409248625 LPSHPPGJGPCVCQ-MDWZMJQESA-N 380.347 3.438 10 40 GGCB COc1ccc2c(c1)[C@@H](N1CCN(CCCO)CC1)Cc1ccccc1S2 22041521 QLLPMKXGTXHYPG-FQEVSTJZSA-N 384.545 3.444 10 40 GGCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408809853 SHBNHNYPVIAPLY-LDADJPATSA-N 388.379 3.220 10 40 GGCB COc1cc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc([N+](=O)[O-])c1O 96669699 JJAADIIXWHYCKX-NTEUORMPSA-N 377.422 3.202 10 40 GGCB CN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)SC1=S 33550395 VNWGPDHDIPBNGE-QPEQYQDCSA-N 389.410 3.174 10 40 GGCB CCCCN1C(=O)/C(=C/c2ccc(N3CCCCCC3)cc2)C(=O)NC1=S 5249597 DTWMLIGEITVGRU-OBGWFSINSA-N 385.533 3.494 10 40 GGCB Cc1ccc2ccccc2c1COc1ccccc1C=C1C(=O)NC(=O)NC1=O 408819653 ZXVYBWPADRTKGW-UHFFFAOYSA-N 386.407 3.477 10 40 GGCB CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 34807111 SMGUSHWZNMBPSD-JYRVWZFOSA-N 387.779 3.108 10 40 GGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 5371699 MBWBQONLJCZJOH-OEMOTLHWSA-N 379.459 3.085 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 408959741 DZWSZPQYEOSISW-XDJHFCHBSA-N 375.428 3.343 10 40 GGCB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1c(O)ccc3ccccc13)C2 12120694 IXELOUSKRKSVRJ-UHFFFAOYSA-N 384.439 3.249 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC 408778859 YULLROMLATWDKB-SFQUDFHCSA-N 394.427 3.459 10 40 GGCB CCc1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 65066660 VIKVKJLDKOVDHT-STQMWFEESA-N 377.485 3.388 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1O 2268818 WIQJNXKIKLIMDX-ATVHPVEESA-N 395.411 3.287 10 40 GGCB O[C@@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCS2 15962102 FRPCKTMDUPTDTP-QGZVFWFLSA-N 376.299 3.230 10 40 GGCB COc1ccc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(C)c1 59104516 RLFJSNXRMXVCIC-OVCLIPMQSA-N 380.356 3.239 10 40 GGCB COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1C 225420521 FESPWOAHIFYKJZ-UHFFFAOYSA-N 399.516 3.105 10 40 GGCB COc1cc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc(OC)c1OC 2383759 HBWDGIHKLUBCSH-YUSFRKCESA-N 376.478 3.415 10 40 GGCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1O 13687295 ZUQYVQFOMNYGNN-DHDCSXOGSA-N 396.399 3.215 10 40 GGCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1O[C@@H](C)C(=O)O 4699014 PFGVSLYCXWQCQV-MPMPPSQCSA-N 380.400 3.353 10 40 GGCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)cc1 83947485 VPCYOBFJJVVVLK-QFIPXVFZSA-N 379.504 3.008 10 40 GGCB Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 15162109 GXLKPZIEYHIDMS-GXDHUFHOSA-N 379.803 3.498 10 40 GGCB CC[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 48368364 KIKIDTHQCTZXNI-PZJWPPBQSA-N 379.504 3.198 10 40 GGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)OCO3)C1=O 409216212 GFWVVXCIZSCTRP-KPKJPENVSA-N 384.775 3.044 10 40 GGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C)c([N+](=O)[O-])c2)C1=O 408535928 URVDPPTXRDLWAQ-RVDMUPIBSA-N 394.387 3.044 10 40 GGCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4c(OC)cccc34)CC2)cc1 20737601 ZTLOGZWCCOXDLJ-NRFANRHFSA-N 395.459 3.133 10 40 GGCB CCOc1cc(/C=C2\C(=O)N(Cc3cccnc3)C(C)=C2C(=O)OC)ccc1O 409010471 FCMUSRLNUMWAHZ-YVLHZVERSA-N 394.427 3.059 10 40 GGCB O=C1NN(c2ccccc2)C(c2cc([N+](=O)[O-])ccc2O)N(c2ccccc2)N1 35183015 GBLJJSOZRRJKLU-UHFFFAOYSA-N 391.387 3.455 10 40 GGCB COC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CC(C)(C)N(C)C3 13116083 XMGHDGHNAIRUKD-UHFFFAOYSA-N 388.537 3.422 10 40 GGCB Cc1oc2ccc(O)c(CN3CCN(C)CC3)c2c1C(=O)NCc1ccccc1 19794020 ATDCFPVVNXUWOT-UHFFFAOYSA-N 393.487 3.124 10 40 GGCB COCCn1ccc2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cccc21 79483503 IYFKUTSHSLBUOU-UHFFFAOYSA-N 393.487 3.259 10 40 GGCB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1 28286968 RNYCMOOZNXPWRE-UHFFFAOYSA-N 393.443 3.321 10 40 GGCB CN1C(=O)[C@@]2(NN=C(Cc3ccccc3)S2)c2cc(Br)ccc21 834590 JHZBXRSXWRTWET-QGZVFWFLSA-N 388.290 3.471 10 40 GGCB O=C1/C(=C/NCc2ccco2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 105370384 NMYINDZPPCUJPS-UKTHLTGXSA-N 380.282 3.126 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 1192654 STJIKKDOUZQHKF-OQLLNIDSSA-N 386.791 3.024 10 40 GGCB Cc1cc(C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1F 58046099 BXBDQZGRQBSTQG-ZACQAIPSSA-N 387.499 3.461 10 40 GGCB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)SC1=S 33395098 PQYVNEYUADBGFK-WTKPLQERSA-N 389.252 3.284 10 40 GGCB O=C1N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1Cl 6345873 IRJUICFSZUGOCX-CPNJWEJPSA-N 397.862 3.270 10 40 GGCB CC(C)COC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 100859986 VPHIXWBWRXDNHM-VXKWHMMOSA-N 385.460 3.402 10 40 GGCB CCc1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1 68426828 VIKVKJLDKOVDHT-BETUJISGSA-N 377.485 3.388 10 40 GGCB O=C1c2ccccc2C(=O)[C@H]2S[C@H]3C(=O)c4ccccc4C(=O)[C@H]3S[C@@H]12 14983597 BQPAVUCZTHBGEU-JVSBHGNQSA-N 380.446 3.099 10 40 GGCB Cc1ccc(C)n1-c1cccc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)c1 12115832 JUHRFMRAKMSXHM-UHFFFAOYSA-N 386.459 3.247 10 40 GGCB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 725460 CFIXLNNBXLCMLW-HXUWFJFHSA-N 379.460 3.166 10 40 GGCB CN1CCCc2cc(CNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)ccc21 58218210 BEECRWYRSXUMJU-OAQYLSRUSA-N 393.487 3.117 10 40 GGCB Cc1cc2oc(=O)cc(C)c2c(O)c1C1=NN[C@H](c2ccc3c(c2)OCO3)C1 12390046 XKNUSXPXDSTJSA-ZDUSSCGKSA-N 378.384 3.283 10 40 GGCB CCOC(=O)[C@H]1C(O)=Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 9262192 OKZKTGMTMCAIRJ-MSOLQXFVSA-N 378.432 3.473 10 40 GGCB COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)N(c2ccccc2)N=C1C 409230754 GCQJXJWBJMYKGH-XSFVSMFZSA-N 377.444 3.338 10 40 GGCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(CCC(=O)O)C1=O 409094141 CGDMSSYEXKBASQ-RVDMUPIBSA-N 376.503 3.271 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)cc1 56907088 RAWSSWXDJVEQAP-UHFFFAOYSA-N 390.443 3.240 10 40 GGCB Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nccs3)C2=O)cc1 1192757 VOFQENDRABSUCC-XYOKQWHBSA-N 375.500 3.291 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1C 4691234 HNBMKDUIHVBREM-LFIBNONCSA-N 380.469 3.452 10 40 GGCB O=C1N=C(O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 8768272 BVSMRMCCXHISRD-VBKFSLOCSA-N 383.379 3.280 10 40 GGCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)c1 631884 JTCJZNBWOCGBQK-GHRIWEEISA-N 395.484 3.410 10 40 GGCB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] 4565861 NHAQKEYPUCFXEJ-ZQNQSHIBSA-N 386.376 3.101 10 40 GGCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C(=O)NC1=S 5219512 YJOJILZALHVPAN-SULWINFOSA-N 385.533 3.492 10 40 GGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2[N+](=O)[O-])cc1 11915368 PFZTYGVBZXJIEZ-GOSISDBHSA-N 383.448 3.482 10 40 GGCB O=C1NN(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 12630283 SBYJMJYJKHOALO-BOPFTXTBSA-N 392.342 3.245 10 40 GGCB CC[C@@H](OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 23224655 TVUIBCQMARNZQF-FYYLOGMGSA-N 384.520 3.346 10 40 GGCB C/C=C/C=C/C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 6642495 CDFFXAXMITURCL-TWKNZMHGSA-N 375.380 3.076 10 40 GGCB COc1cc(OC)c(OC)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409135001 PDRNUTUMIPAXAM-YVLHZVERSA-N 398.440 3.113 10 40 GGCB CCN(CC)c1ccc(CN(C)C(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 9932414 XXYRPLSKMNSANR-UHFFFAOYSA-N 388.533 3.350 10 40 GGCB O=C(NCCc1ccc(O)c(O)c1)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 1137464565 GEEFDKZUMMMUFX-UHFFFAOYSA-N 399.397 3.023 10 40 GGCB CN(C)c1ccc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1 13477244 SOYYYBMDIIRKCM-YBEGLDIGSA-N 375.350 3.233 10 40 GGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373868 DMUHWYNAULHCNL-YVFTVSHDSA-N 390.280 3.353 10 40 GGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 5551941 GXTSQEMRHNAGSR-VWLVURMCSA-N 380.447 3.439 10 40 GGCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 1066305 MWVHCMXFZDETRI-AWNIVKPZSA-N 395.327 3.139 10 40 GGCB CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CCCO)c2ccccc21 5186921 VODLAWNJGVPVJB-SDXDJHTJSA-N 389.455 3.076 10 40 GGCB Cc1ccc(C)c(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 6471458 YVZSHAJHLOXPGV-SNVBAGLBSA-N 378.519 3.389 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)cc1 177697831 BIBASSYCSSDMDX-UHFFFAOYSA-N 381.407 3.452 10 40 GGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)NC1=S 409390503 DMKSYIKWFSCXIY-GXDHUFHOSA-N 387.892 3.394 10 40 GGCB CCNc1nc(NCC)n2c(SCCOc3ccc(Cl)cc3)nnc2n1 6949374 WMGXNILPPDTTOG-UHFFFAOYSA-N 393.904 3.207 10 40 GGCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 108976748 CRPDSYBJCYWWGC-RERGGYADSA-N 381.388 3.234 10 40 GGCB CC(C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 4614214 SUOPTDCOOSORRF-BOPFTXTBSA-N 384.432 3.444 10 40 GGCB CCOc1ccccc1NC(=S)NCc1ccc(N2CCN(C)CC2)cc1 225775924 SAPLTVHUIXWSMR-UHFFFAOYSA-N 384.549 3.324 10 40 GGCB Cc1c(C(=O)O)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1 40950074 MLVCEWBLMXMCLO-UHFFFAOYSA-N 390.848 3.452 10 40 GGCB COc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc1[N+](=O)[O-] 845441 GNBYLAORNIICIR-UKTHLTGXSA-N 381.344 3.419 10 40 GGCB CCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC 408538929 RONHKKAGMRRONX-UHFFFAOYSA-N 396.896 3.222 10 40 GGCB COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3F)CC2)cc1 58158693 BGKDAIKQIRGOEN-UHFFFAOYSA-N 377.847 3.248 10 40 GGCB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 104099361 LGWWQMQBPJNCFQ-YMLDPWDYSA-N 380.352 3.005 10 40 GGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)ccc1O 408855997 IIRUOQSVUXJBKP-DHZHZOJOSA-N 376.796 3.016 10 40 GGCB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(COc3ccccc3)=NN12 4524362 GJOQAKSQXKPCCU-CKLXWILVSA-N 378.413 3.090 10 40 GGCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc21 113778698 NVMZZLNKCKVXER-NSHDSACASA-N 389.883 3.496 10 40 GGCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 409393363 QODHNODFJBQINA-SFQUDFHCSA-N 392.802 3.192 10 40 GGCB COc1ccc(OC)c(N2C[C@@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)c1 2965867 AGNAARCSRVWCHN-HXUWFJFHSA-N 389.472 3.014 10 40 GGCB O=C(CNCCc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9047206 GXDOOADDGWRDQK-UHFFFAOYSA-N 384.435 3.233 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)S1 4498542 LLBOKFTWEFREEE-LICLKQGHSA-N 396.424 3.070 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 4675486 CEXHIZCRMLJRGM-XMHGGMMESA-N 393.418 3.482 10 40 GGCB C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1 65222396 QTYWAPZNGXCSEB-OAHLLOKOSA-N 399.516 3.342 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 408802129 DIHPSXMLJGAJDJ-NTEUORMPSA-N 386.791 3.111 10 40 GGCB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 225838946 MEFLCCMXXJTJTM-HNNXBMFYSA-N 399.516 3.357 10 40 GGCB O=C(CN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)OC1CCCCC1 1239047 IPRIQDSKZPIEKN-XNTDXEJSSA-N 377.487 3.469 10 40 GGCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1O 1286741 ARRPPSUIGOEQLR-DHDCSXOGSA-N 388.445 3.371 10 40 GGCB Cc1cccc(-n2c(C)cc(C(=O)CN3CCN(Cc4ccon4)CC3)c2C)c1 72305205 ZJGFNZVIYWUZEA-UHFFFAOYSA-N 392.503 3.391 10 40 GGCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCC2(CC1)OCCO2 2303325 PKWYHWCKRGMDMI-QURGRASLSA-N 388.424 3.191 10 40 GGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NC2CCCC2)C1=O 4263397 GGMKAKJAEQCZDK-VBKFSLOCSA-N 390.530 3.345 10 40 GGCB Cc1cc(=O)[nH]c(NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)n1 15587378 MZCUMSLUFHMPQW-UHFFFAOYSA-N 377.779 3.064 10 40 GGCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409241818 YVPBEBCEZBFNGQ-GXDHUFHOSA-N 386.860 3.488 10 40 GGCB CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N(C)C1=O 3083666 QTBDVYTYYWCHBL-UHFFFAOYSA-N 389.205 3.143 10 40 GGCB Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 3564318 LWADVZZRPHSHOH-UHFFFAOYSA-N 396.399 3.467 10 40 GGCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 4457163 TZVLAFRZJMBQRD-MHWRWJLKSA-N 392.452 3.414 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)SC1=S 16755239 HMQQUIKHRDIYEV-UKTHLTGXSA-N 396.446 3.147 10 40 GGCB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(N3CCCCC3)=NN12 41084682 AOTDTDJUAPEWQS-MKGVMWAWSA-N 378.461 3.230 10 40 GGCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(O)c1 6050332 FNHUXQDPMXJBJZ-UNOMPAQXSA-N 379.412 3.274 10 40 GGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)cc1 5373281 JTVKWUXHVOSIQA-NXVVXOECSA-N 378.413 3.050 10 40 GGCB CCCc1cc(=O)oc2c(CN[C@H](Cc3ccccc3)C(=O)O)c(O)ccc12 2121312 ANIBAKNMKNJZIG-GOSISDBHSA-N 381.428 3.237 10 40 GGCB biogenic Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCC(=O)O)SC1=S 409206842 QLCFSYRFQJIZEP-OQLLNIDSSA-N 388.470 3.106 10 40 GGCB COc1cc(Oc2c(OC)ccc3c2CN(C)CC3)c2c(c1O)CN(C)CC2 24717716 UXTYMQATOWDJAV-UHFFFAOYSA-N 384.476 3.178 10 40 GGCB biogenic Oc1ccc(Br)cc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 19792305 YNTXNYUEXYOHDS-OWCLPIDISA-N 377.326 3.485 10 40 GGCB Cc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)o1 2680086 DAYZATPKMFBXQU-NTUHNPAUSA-N 389.410 3.390 10 40 GGCB CC1=NN2C(=N)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)N=C2S1 13280887 KOJLZPVSRBMOCT-ZFRJSZHUSA-N 380.389 3.025 10 40 GGCB CN1CCN([C@H](CC(=O)Nc2ccc(/N=N\c3ccccc3)cc2)C(=O)O)CC1 101090876 ALJFYISMCGVBJZ-QNBCRBJRSA-N 395.463 3.131 10 40 GGCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(CCOC)c3C)NC2=S)cc1 409132264 ZDMLEPVWBZTKHX-UYRXBGFRSA-N 399.516 3.412 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCC2 2801618 KAUAXXYGEUBGJP-STQMWFEESA-N 377.462 3.409 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)COc3ccccc3)N3CCCC3)ccc21 8963222 GTHFNFACUMLYIF-QFIPXVFZSA-N 379.504 3.011 10 40 GGCB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccccc1Cl 13283174 JGSGNJFMHFRFTB-JYRVWZFOSA-N 375.862 3.281 10 40 GGCB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccco3)c3ccco3)CC2)cc1 56946249 OOWWCTMKGJYKRB-IBGZPJMESA-N 395.459 3.175 10 40 GGCB O=C(CN(Cc1cccs1)c1ccc2c(c1)OCCO2)NCC(F)(F)F 57642848 UFSXLPIWZQFXLR-UHFFFAOYSA-N 386.395 3.204 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 409067571 FKFBDGQPLKBASR-GXDHUFHOSA-N 386.860 3.488 10 40 GGCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1C 409157388 VHWPLJBBHGTTLX-RQZCQDPDSA-N 398.440 3.390 10 40 GGCB COc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 12492419 QEVQETMJMPMJEP-HKWRFOASSA-N 393.512 3.483 10 40 GGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(C(=O)OC)ccc1C 12539391 BIMQUENKEVXNPR-UHFFFAOYSA-N 390.505 3.058 10 40 GGCB O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2ccccn2)CC1 4334873 LCZMROLVPZJUSB-UHFFFAOYSA-N 383.451 3.178 10 40 GGCB CN1C(=O)/C(=C\c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)SC1=S 6638255 JVDHLZOUHYLQBE-MKICQXMISA-N 392.552 3.349 10 40 GGCB COc1ccc(O)c(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)c1 72392774 JNAQZPDOHIXMCD-UHFFFAOYSA-N 392.459 3.338 10 40 GGCB CN1C(=O)N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 1202341 DJAOXXQVVYZNOO-YRNVUSSQSA-N 375.724 3.440 10 40 GGCB CC(C)(OC(=O)N[C@@H](CC(N)=O)C(=O)O)c1ccc(/N=N/c2ccccc2)cc1 5715191 CYAURHDYGNVMLA-FTOHGRHOSA-N 398.419 3.392 10 40 GGCB O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2ccc(O)nc2O)cc1 16951598 WALRBFYYKMUYOE-ISLYRVAYSA-N 377.407 3.166 10 40 GGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OCC 6355568 ZZVYHHJJKGYNPV-FOWTUZBSSA-N 394.427 3.459 10 40 GGCB CN1CCN(c2ccc(CNC(=O)COc3cccc4ccccc34)cc2)CC1 218917069 JBPBHIYQJUFCEL-UHFFFAOYSA-N 389.499 3.287 10 40 GGCB CC(=O)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 107981637 JARILXJWVHQMJO-QPEQYQDCSA-N 391.210 3.380 10 40 GGCB CCOc1cc2c(cc1/C=C1\SC(=S)N(CCC(=O)O)C1=O)O[C@@H](C)C2 6510215 ZWHDJZMJEJCPFS-QNKACBJSSA-N 393.486 3.085 10 40 GGCB CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102345595 APGBSEMNLDDZGK-AZHAFVHUSA-N 389.473 3.265 10 40 GGCB O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C\c1ccccc1O 8843562 YKJBTPWSBZQKBZ-UYRXBGFRSA-N 397.475 3.319 10 40 GGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccccc1 2981846 DBWCHSFRDLTFQJ-SSZFMOIBSA-N 375.359 3.283 10 40 GGCB Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)cc1Cl 3043207 OQYMTBSRWWCGHC-UHFFFAOYSA-N 375.724 3.406 10 40 GGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1cccs1 4999644 TZRICCZDJXZUET-UYRXBGFRSA-N 399.472 3.086 10 40 GGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235944 WUTPOPGJAZRACM-OEMOTLHWSA-N 375.475 3.263 10 40 GGCB CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4F)cc3)C(=N)N2O1 41078401 CNNOQHUJZXBCNS-GESHDMKESA-N 391.358 3.495 10 40 GGCB Cc1cccc(C(=O)NC2(NC3CCCCC3)C(=O)c3ccccc3C2=O)c1 226297998 CAEGCEXUMAOOFO-UHFFFAOYSA-N 376.456 3.423 10 40 GGCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 408549234 RFHHSGQPZKJYTK-YBFXNURJSA-N 395.459 3.283 10 40 GGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408893257 LOUVTKYITJGPLD-DHDCSXOGSA-N 388.420 3.322 10 40 GGCB CCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2OC)NC1=S 409007737 RBSGGUACTNYJML-YHYXMXQVSA-N 375.675 3.189 10 40 GGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1c(F)cccc1Cl 408895170 UDHLJNTYOLZHMP-ZMTLZGASSA-N 379.815 3.331 10 40 GGCB COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCCC2)cc(OC)c1OC 1587301 QCXGNLZKUHBIHD-HXUWFJFHSA-N 387.432 3.332 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Br)s1 6889133 SJMPDQASKDISAE-XFFZJAGNSA-N 395.209 3.316 10 40 GGCB CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O 27229164 LWJQYUFJHQPXNZ-JMMZPACASA-N 391.470 3.152 10 40 GGCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OC 58865894 JHUZYIIONXYATK-UHFFFAOYSA-N 397.221 3.220 10 40 GGCB Cn1ncc2c(C(=O)NCc3ccc(N4CCCC4)cc3)cc(C3CC3)nc21 36616435 HKRCVNOWZYZPMN-UHFFFAOYSA-N 375.476 3.376 10 40 GGCB CN(C)c1ccc(/C=c2\sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 13749830 PPGLBNHKCTVMCE-WJDWOHSUSA-N 382.876 3.085 10 40 GGCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\SC(=S)NC2=O)c1C 408999385 KRXXAGGCRAKUGH-CHHVJCJISA-N 389.458 3.500 10 40 GGCB O=C(NC1(N2CCCCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 226297594 FNALURPNCQTMEG-UHFFFAOYSA-N 382.847 3.331 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)cs2)C1=O 6083646 BXYQDURNXSECOF-GHXNOFRVSA-N 391.246 3.485 10 40 GGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 4834455 LDBOBQIGKXLDJY-NBVRZTHBSA-N 394.500 3.277 10 40 GGCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1O 408883829 WUADARLUVCQFTP-DHZHZOJOSA-N 377.183 3.365 10 40 GGCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2O)C1=O 409012234 JZASBDDLEHTTLX-SEJMYLSOSA-N 392.477 3.226 10 40 GGCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 34926897 BVCKGFUROSTLMX-AWEZNQCLSA-N 383.454 3.340 10 40 GGCB C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)cc1 225838199 IONOGPUYUKQYNI-CQSZACIVSA-N 385.489 3.300 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nn1c(S)nnc1-c1ccc(C)cc1 13120264 UYZMYGOGIUCFHY-ATVHPVEESA-N 390.472 3.392 10 40 GGCB COc1ccc(-n2nnnc2CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 9571349 MTFVVZOHQKOPDF-UHFFFAOYSA-N 393.234 3.299 10 40 GGCB CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12562493 DTWMIGDWKYVUFZ-UHFFFAOYSA-N 380.492 3.443 10 40 GGCB COc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 26688746 QEVQETMJMPMJEP-HMMYKYKNSA-N 393.512 3.483 10 40 GGCB COC(=O)c1c(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)sc2c1CCCC2 408771539 HSQCVPNYZWZULJ-NTEUORMPSA-N 399.472 3.001 10 40 GGCB CCCCN1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 2382440 CYEVOAAYXHNMPG-LDADJPATSA-N 383.423 3.495 10 40 GGCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373857 RLLFRVKJZFKVIP-KBUNYLKBSA-N 376.253 3.107 10 40 GGCB CN(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N(C)C)cc1 5097696 GHXHKRAFYHYOIT-GOSISDBHSA-N 390.871 3.347 10 40 GGCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1ccc(Cl)c(Cl)c1 101652392 AFHLLSOQRJRLCN-YRNVUSSQSA-N 388.218 3.150 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CC)CC)o3)C2=O)cc1 204986913 DTLQQBSINSLNQG-GHRIWEEISA-N 397.431 3.191 10 40 GGCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 851118 VFMOZGCPYRHWGL-WJDWOHSUSA-N 385.401 3.157 10 40 GGCB COc1cc(Br)cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c1O 18218194 FCPBUDBBAKOAKP-CQSZACIVSA-N 388.225 3.010 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OC 408780145 TVEOMPQZBXUNNL-GZTJUZNOSA-N 394.427 3.377 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)o3)C2=O)cc1C 1101501 UEHPOAUBEKRLNP-SFQUDFHCSA-N 379.416 3.163 10 40 GGCB CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 7113440 VZVGYIGTCONSCW-QGZVFWFLSA-N 379.382 3.244 10 40 GGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 409242126 MJHMLSLCNCKMNZ-WOJGMQOQSA-N 395.459 3.492 10 40 GGCB Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCSC4)C3=O)c2C)c1 58157674 NFPFFCMQZSSWAL-NRFANRHFSA-N 397.500 3.013 10 40 GGCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408961615 TWKZAUAMLLYWPI-XMHGGMMESA-N 375.428 3.262 10 40 GGCB Cc1cccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)c1C 4086755 AMACHBLOKMSTMH-FQEVSTJZSA-N 384.481 3.382 10 40 GGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OC)cc1OC 408979191 PUUDCRPCFIJEOO-YVLHZVERSA-N 383.400 3.170 10 40 GGCB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409127953 IDSGEJIANHFDHH-UYRXBGFRSA-N 395.434 3.064 10 40 GGCB CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)NNC(=O)c3ccccc32)cc1 5486330 GUZDSXAHOLIXGJ-UHFFFAOYSA-N 386.499 3.359 10 40 GGCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1 5552975 PUULXGNRQYQBMM-YBEGLDIGSA-N 398.465 3.054 10 40 GGCB NC(=O)COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 4276516 KPEIOQUMNARIKK-GDNBJRDFSA-N 376.503 3.085 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 10962218 BGLUJUZSINDYSM-UHFFFAOYSA-N 386.517 3.353 10 40 GGCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(I)cc1 58866138 LZSPYTLHESEWGU-UHFFFAOYSA-N 384.169 3.045 10 40 GGCB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C/NCCc1ccccc1 102563491 MBEOHGAYYWKBHJ-OBGWFSINSA-N 383.517 3.248 10 40 GGCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 6415959 KKBVSZRCFTZICQ-SECBINFHSA-N 384.910 3.426 10 40 GGCB Cc1cc(C(=O)NCc2noc(C3CC3)n2)c(C)n1-c1ccc2c(c1)OCCO2 95449673 IIYGYLKWAZGRIK-UHFFFAOYSA-N 394.431 3.056 10 40 GGCB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 217017745 REVYTYAEOXRJCN-KRWDZBQOSA-N 399.560 3.244 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COc3ccc(C(C)C)cc3)CC2)cc1 23224608 KUJVHTBDOQLVJR-NRFANRHFSA-N 384.520 3.381 10 40 GGCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(O)c1 13756182 BSQFLQGHVSYUHM-ATVHPVEESA-N 385.464 3.033 10 40 GGCB COC(=O)/C=C/c1ccc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])c1 95406125 DXUGNKDDCMIEIL-BOSPYUDASA-N 398.419 3.425 10 40 GGCB O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCn2c(cnc2C(F)(F)F)C1 95993238 VDACARJYBMAAQT-ZDUSSCGKSA-N 393.409 3.365 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 409096877 GVVYFXIEHAQCDH-BTAWCLGRSA-N 378.425 3.024 10 40 GGCB CC(=O)n1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 705257 BFIZZJPWFCPCMH-WOJGMQOQSA-N 387.395 3.276 10 40 GGCB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 54035817 SCAUHEWZNFRCJO-MGPUTAFESA-N 384.501 3.085 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc4cc(C)ccc4oc3=O)CC2)cc1 226037411 OIFMONFBQZOMSN-UHFFFAOYSA-N 378.428 3.072 10 40 GGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)c1 408896668 HBPPSBYBVMYXHQ-MKMNVTDBSA-N 398.802 3.352 10 40 GGCB COc1ccc(N(CCOc2ccc(Br)cc2)CCC(N)=O)cc1 12606665 XNXFAFMANMZDSM-UHFFFAOYSA-N 393.281 3.219 10 40 GGCB CCOc1ccc2ccc(OCC)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2c1 59109590 KJVUYYIRKIFGRU-UHFFFAOYSA-N 398.484 3.236 10 40 GGCB Cc1ccc(N2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1 219861816 ZXXVZEOGAASGOG-UHFFFAOYSA-N 393.531 3.364 10 40 GGCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 223700992 QMVRMZCBZWWDHS-HNNXBMFYSA-N 389.477 3.310 10 40 GGCB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 224684421 YUFUSWURRDCZRR-SFHVURJKSA-N 394.515 3.486 10 40 GGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 1197472 RLSSMMIRLOQLCF-NBVRZTHBSA-N 377.469 3.118 10 40 GGCB CCc1cccc(C)c1NC(=O)COc1ccc(N2CCN(C(C)=O)CC2)cc1 32956431 IFGQNULZHNQWSJ-UHFFFAOYSA-N 395.503 3.243 10 40 GGCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1826658 IZRHCKWNRPLVBG-GDNBJRDFSA-N 388.445 3.381 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 14011202 CDACBOBBSVCLPC-NTEUORMPSA-N 386.791 3.024 10 40 GGCB O=C(O)CCn1cc(/C=C2\SC(=S)NC2=O)c(-c2cc3ccccc3o2)n1 12377797 KSKLRICEYNPTDT-ZSOIEALJSA-N 399.453 3.260 10 40 GGCB Cc1ccc(NC(=O)Nc2nc3ccccc3n2CCN2CCOCC2)cc1 28227814 URVPHKPRPMTLEX-UHFFFAOYSA-N 379.464 3.321 10 40 GGCB CCc1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 68426832 VIKVKJLDKOVDHT-CHWSQXEVSA-N 377.485 3.388 10 40 GGCB Cc1cc(/C=C/C(=O)N(C)CC(=O)NCc2ccco2)c(C)n1-c1ccccc1 8395128 KVIZJAVFLIWNOR-VAWYXSNFSA-N 391.471 3.475 10 40 GGCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cc2c3c(c1)CCCN3CCC2 9009721 SLJIKVGMUAZUMY-XMHGGMMESA-N 393.487 3.180 10 40 GGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccccn1 409092848 ZSQYSTFCTMVHMF-MHWRWJLKSA-N 399.472 3.477 10 40 GGCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1C 409391841 JZKBEZSBTBCEII-CPNJWEJPSA-N 386.411 3.156 10 40 GGCB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217023833 URPHGEZDCKHJTE-SFHVURJKSA-N 381.520 3.085 10 40 GGCB O=C(NC1CCCCC1)[C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199426103 ATAWWAOAFZZEIM-HXUWFJFHSA-N 380.488 3.474 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCC2 4614560 SRWNKGYXOWZYBF-PKIAMQTDSA-N 391.489 3.489 10 40 GGCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccsc1 4703279 RJGKMSIQAPIBBF-SDQBBNPISA-N 377.219 3.177 10 40 GGCB COc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)c1OC 12438408 PJEKOILLZDITLD-YQCJOKCJSA-N 381.475 3.014 10 40 GGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408536263 VOFJLPNYYXMBCO-WJDWOHSUSA-N 395.850 3.249 10 40 GGCB O=C1NC(=S)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 408820848 ZNYXKUJHXCKZEI-SDQBBNPISA-N 377.359 3.252 10 40 GGCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc([N+](=O)[O-])cc1 1848898 ZCILPGAFEZLHDL-WQLSENKSSA-N 391.455 3.203 10 40 GGCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc4ccccc4c3)C2=O)cc1 104796387 ZZTNVGMHIFNQLW-CPNJWEJPSA-N 387.395 3.427 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 408893970 PELITURCDJUUIQ-YBEGLDIGSA-N 383.375 3.417 10 40 GGCB O=C(O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)ccc1F 223372497 FIFHJXVSDYLEHC-UHFFFAOYSA-N 378.406 3.448 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 16134450 VHKSZXAMACCFHK-JXMROGBWSA-N 381.432 3.103 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O 4690162 BGJFQZRRWBPGFZ-XNTDXEJSSA-N 396.468 3.239 10 40 GGCB Cc1cccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)c1 408865035 BGVWGAZJYBOZIQ-UHFFFAOYSA-N 386.860 3.142 10 40 GGCB Oc1ccccc1CN1CCN(c2ccccc2[C@@H](O)c2cccnc2)CC1 72340640 PLTIHTHBEHEUMY-QHCPKHFHSA-N 375.472 3.191 10 40 GGCB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CCS(=O)(=O)O 2682499 ZRUKJLTVESYRFB-POHAHGRESA-N 398.314 3.082 10 40 GGCB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=N)N2O1 13207101 BYZPHCPPJSNBAN-YYCJSXGPSA-N 390.399 3.273 10 40 GGCB Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C 13008199 KFFLFDMYDHILIU-OAQYLSRUSA-N 381.520 3.175 10 40 GGCB Cc1noc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1 65547625 MSKHORWAEREJCS-GFCCVEGCSA-N 382.420 3.048 10 40 GGCB Cc1ccc(N2C(=O)/C(=C/N[C@@H](C)c3ccccc3)C(=O)NC2=S)cc1C 5691064 FKCVYLTWMXLAMJ-BRFSQIRFSA-N 379.485 3.286 10 40 GGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 408989655 UVVNIXLHDCVSIF-YBEGLDIGSA-N 379.372 3.132 10 40 GGCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 13786149 ZJSWERFBGKFDCO-AQTBWJFISA-N 388.379 3.195 10 40 GGCB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc(OC(F)F)cc1 3373001 AZUGQWXSQSUHRW-UHFFFAOYSA-N 393.419 3.194 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@@H](C)CC(C)(C)C3)CC2)cc1 20347299 UBJHMGJIUMQJAG-SYYKKAFVSA-N 390.568 3.410 10 40 GGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl 409199193 BRZOCNZEQBSNOX-XYOKQWHBSA-N 377.183 3.365 10 40 GGCB COc1ccc(-n2nnnc2CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 9570399 HWAWOMYLCHXNSM-UHFFFAOYSA-N 399.454 3.197 10 40 GGCB C=CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33782536 GHXNSWOAYUXCSQ-ZROIWOOFSA-N 399.790 3.274 10 40 GGCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc21 223474301 LTUODIYRCTZUIB-MHWRWJLKSA-N 383.517 3.353 10 40 GGCB COc1ccc(-c2coc3c(CN4CCCOC4)c(O)ccc3c2=O)cc1OC 32501394 DGBSEKVZSKERBZ-UHFFFAOYSA-N 397.427 3.363 10 40 GGCB biogenic CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 13547144 HUHCHHLUHGIMHK-YDRQLGOLSA-N 379.503 3.474 10 40 GGCB COc1ccccc1C1(O)CCN(Cc2ccc(N3CCOCC3)cc2C)CC1 19570644 VAZSSLNJKUMAIN-UHFFFAOYSA-N 396.531 3.324 10 40 GGCB CCN1CCN(C2=NC(=O)/C(=C/c3cccc(Br)c3)S2)CC1 20146388 QVAYJYGAOVTEAF-KAMYIIQDSA-N 380.311 3.057 10 40 GGCB O=C([C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1)N1CCCCCC1 199415390 KDBNCQJNXBAODW-FQEVSTJZSA-N 380.488 3.427 10 40 GGCB CN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)C(=O)N(C)C1=O 1085906 VSEUQEGXLPAPMI-UHFFFAOYSA-N 384.819 3.353 10 40 GGCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N\c1ccc([N+](=O)[O-])cc1Cl 104204104 QDFFKVRACYGSJQ-BVGIJJTOSA-N 386.755 3.154 10 40 GGCB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113208 ILPGUCLKNZUDGZ-UHFFFAOYSA-N 375.450 3.064 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccc(CN4CCCCC4)o3)CC2)cc1 27979849 CTODCHJVWNCTDJ-UHFFFAOYSA-N 383.492 3.237 10 40 GGCB COc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(OC)nc3)no2)c(O)c1 35425903 GWKISMSCBAIIRC-INIZCTEOSA-N 382.420 3.192 10 40 GGCB biogenic,in-vitro COc1cc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] 219825367 WMCZXKCBOYYBCM-UHFFFAOYSA-N 399.447 3.289 10 40 GGCB CN(C)c1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 22021556 DUPGDCICWLJXCC-UHFFFAOYSA-N 398.484 3.250 10 40 GGCB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCOCC4)c3oc2=O)cc1 20605054 VVCAPCQOEFQOGB-UHFFFAOYSA-N 381.428 3.315 10 40 GGCB biogenic CN1CCN([C@@H](CC(=O)Nc2ccc(/N=N\c3ccccc3)cc2)C(=O)O)CC1 101090873 ALJFYISMCGVBJZ-OAFDPHIXSA-N 395.463 3.131 10 40 GGCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)CC1 32956480 MGCDNOXCKZGWIK-UHFFFAOYSA-N 387.867 3.026 10 40 GGCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1 27018628 KPVPSXRCQBXJQL-QINSGFPZSA-N 399.497 3.320 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(C)ccc4o3)CC2)cc1 5350417 KXKMQHULILXIET-UHFFFAOYSA-N 378.428 3.072 10 40 GGCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 408969713 SIUDVFBAHDCAPC-GDNBJRDFSA-N 390.317 3.499 10 40 GGCB COc1ccc(CSCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13647988 ITDDRYFFSUFRGD-UHFFFAOYSA-N 386.517 3.081 10 40 GGCB CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCSC 15672853 JNNPSHBQWZVPBH-HOTGVXAUSA-N 380.554 3.118 10 40 GGCB biogenic,in-vitro CCOc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 4075370 BHNSKPOUHQJDTG-WJDWOHSUSA-N 385.807 3.318 10 40 GGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/C=C/c3ccco3)C2=O)c1 13810252 YJWOJYAFDKAOQV-DEXRQOOTSA-N 396.399 3.300 10 40 GGCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc2cccnc12 58172024 SADICEJLNXPMIT-UHFFFAOYSA-N 379.435 3.265 10 40 GGCB CN(C)c1ccc(CN2C[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@H]32)cc1 107249364 SJNYEJROFDBSRH-GHTZIAJQSA-N 383.923 3.291 10 40 GGCB COc1ccc(N2CCN(CCNC(=O)c3c(F)cccc3Cl)CC2)cc1 56997187 WIZKHNAJQJAMPX-UHFFFAOYSA-N 391.874 3.040 10 40 GGCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 1162982 OEPCBYXNGPMMHX-HNDQUVLASA-N 399.472 3.477 10 40 GGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 10113277 QNDBOHQJPRUJDP-UHFFFAOYSA-N 375.812 3.015 10 40 GGCB COc1ccc([C@@H](CO)N(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 95465496 XTTQHHRGIXJYJJ-HXUWFJFHSA-N 379.460 3.303 10 40 GGCB CCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S 20310844 CXQQQIYMEQKXOG-VBKFSLOCSA-N 385.514 3.293 10 40 GGCB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)cc(C)c3O)CC2)c(C)c1 13070346 LFCSDMCHHAPJSI-UHFFFAOYSA-N 388.533 3.132 10 40 GGCB CSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])ccc1O)Nc1ccccc1-2 36237468 LZMFSFDDDUGIFG-HNNXBMFYSA-N 383.389 3.377 10 40 GGCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 5552056 DMMNLLUIHPRAAY-PFONDFGASA-N 396.449 3.421 10 40 GGCB NC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 409140736 SDUYKMKUVKAUKY-PXNMLYILSA-N 397.481 3.121 10 40 GGCB Cc1ccccc1[C@H]1C=C(c2ccc(N3CCOCC3)c(F)c2)Nc2nnnn21 103267284 YVFCDVZADQKMTN-HXUWFJFHSA-N 392.438 3.013 10 40 GGCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 682711 KBKRRDUJQWPPLS-SFQUDFHCSA-N 375.340 3.316 10 40 GGCB O=C1N=C(O)/C(=C\c2cc(Br)cs2)C(=O)N1c1cccnc1 6971004 NIZOPVCYWPMPLS-VZUCSPMQSA-N 378.207 3.412 10 40 GGCB C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1ccc(N2CCOCC2)cc1 19719199 ZWEIKDLUFHDHFM-GOSISDBHSA-N 390.487 3.259 10 40 GGCB CC(C)COC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 100859983 VPHIXWBWRXDNHM-FGZHOGPDSA-N 385.460 3.402 10 40 GGCB COCCCn1c2c(c3ccc(OC)c(OC)c3c1=O)C(=O)c1ccccc1-2 604405994 WMUYVFYONNYXKN-UHFFFAOYSA-N 379.412 3.267 10 40 GGCB biogenic CN1C(=O)C(=Cc2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N(C)C1=S 6208771 JQYJIAXHFHAYQA-UHFFFAOYSA-N 375.453 3.434 10 40 GGCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC)C3=O)c2C)cc1 409239745 QBBZOGUIHGGMCF-LDADJPATSA-N 381.432 3.183 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 222479193 FJSHFAUKEQNYEU-XWKQNIGYSA-N 389.473 3.121 10 40 GGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 17081665 KRRNWSPYEVVHJC-MOSHPQCFSA-N 399.397 3.294 10 40 GGCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 836479 CQYMCBGYNJJBJR-LFIBNONCSA-N 385.401 3.157 10 40 GGCB O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC(c2ccccc2)=NO1 89827809 ZQGHUKZPJCBOME-FQEVSTJZSA-N 381.501 3.049 10 40 GGCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl 408776090 UAJFCPFFJZXQFK-ZROIWOOFSA-N 386.860 3.488 10 40 GGCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 409170722 XHMIFGYLOCYNFJ-CXUHLZMHSA-N 398.440 3.390 10 40 GGCB COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)C(=S)N=C2O)cc1 33337337 QOYCBVNXEHYJQW-RIYZIHGNSA-N 382.397 3.096 10 40 GGCB CCc1c(-c2ccc(F)cc2)nn2c1N[C@@H](c1ccccc1O)C[C@]2(O)C(=O)O 72333460 BTWFVRWNVOPJJG-IERDGZPVSA-N 397.406 3.244 10 40 GGCB Nc1c(Cl)cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1Br 712117 IPMSYGCIGSFSII-UHFFFAOYSA-N 395.596 3.184 10 40 GGCB O=S(=O)(c1ccccc1)N1N=C(c2ccncc2)C[C@@H]1c1ccccc1O 95116019 NFLRTHQVCLHEEP-LJQANCHMSA-N 379.441 3.327 10 40 GGCB C[C@@H]1CN(c2ccc(CNC(=O)CSc3ccccn3)cc2F)C[C@@H](C)O1 53360232 SDAPPCSQHSLHKE-HUUCEWRRSA-N 389.496 3.243 10 40 GGCB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 100799169 XHTAAYHQCLFJHY-HBMCJLEFSA-N 393.487 3.399 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cncn1-c1ccc(F)cc1 10907313 XMIAYRXBDFZZSD-UHFFFAOYSA-N 394.450 3.120 10 40 GGCB COc1ccc(N2CCN(C(=O)CSc3nc4ccc(C)cc4[nH]3)CC2)cc1 13204185 ZHQQPUKGJIIKAZ-UHFFFAOYSA-N 396.516 3.321 10 40 GGCB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217034974 ZGVOWWRKGFASSK-QFIPXVFZSA-N 381.520 3.221 10 40 GGCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1 409003197 YMTQMKPZLJJNEK-UYRXBGFRSA-N 394.475 3.032 10 40 GGCB Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)ccc21 192695059 FPJZQBMMJXDGKK-UHFFFAOYSA-N 387.442 3.056 10 40 GGCB CC(=O)Nc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)ccc1O 12536038 KEONTMLJIVMIOA-UHFFFAOYSA-N 399.266 3.222 10 40 GGCB Cc1cccc(C(=O)NC2(NCc3ccccc3)C(=O)c3ccccc3C2=O)c1 226298048 FEYMBYQOGXQLPH-UHFFFAOYSA-N 384.435 3.290 10 40 GGCB CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC)c(OCC)c2)C(=O)N(C)C1=O 575443030 OIPTVNNFVVFKRQ-LCYFTJDESA-N 394.855 3.351 10 40 GGCB COc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 1471423 DUVVJQRTJGWKPR-XDJHFCHBSA-N 379.485 3.488 10 40 GGCB Cc1c(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1 408913048 KCLHYFMIFUZGEA-LDADJPATSA-N 389.480 3.255 10 40 GGCB CCOc1ccccc1/C=C1\C(=O)N(Cc2cccnc2)C(C)=C1C(=O)OC 408999625 VFCHUAOHOSBLGV-PDGQHHTCSA-N 378.428 3.353 10 40 GGCB Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1176346 GYAGKDJNJAQWLN-NTUHNPAUSA-N 392.242 3.493 10 40 GGCB CC(=O)n1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c2ccccc21 13576038 ZLZNXRSSXFQIBG-BOPFTXTBSA-N 387.395 3.276 10 40 GGCB Cc1ccc(O)c(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037977955 ABKVANKEUBKCLK-JOCHJYFZSA-N 384.451 3.238 10 40 GGCB COc1cc(/C=C2/SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)ccc1O 109598450 GCEBAMVHNBRZCS-LZYBPNLTSA-N 384.413 3.490 10 40 GGCB COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)C(C)C)CC2)cc1 57669609 KTUZEYVVCYLITL-FQEVSTJZSA-N 384.528 3.316 10 40 GGCB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)o1 107747652 UQUZFVJRCZWBGX-MHWRWJLKSA-N 386.429 3.369 10 40 GGCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1O[C@H](C)C(=O)O 409239440 NINDKPQXLWNTRU-RFRKOGIWSA-N 380.400 3.353 10 40 GGCB CN(C)c1ccc(/C=c2/sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 2384364 PPGLBNHKCTVMCE-LFIBNONCSA-N 382.876 3.085 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NNc3ccc(C)c(C)c3)C2=O)c(C)c1 16284846 JAHCSNFEJSWCGG-BOPFTXTBSA-N 378.432 3.004 10 40 GGCB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)ccc21 409326552 CBUFKFYHNCPCMP-WJDWOHSUSA-N 387.530 3.411 10 40 GGCB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 8427915 OIUJEOKWXMDBNC-UHFFFAOYSA-N 394.471 3.460 10 40 GGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 34690882 TYWHIKOUJZCAAQ-UKTHLTGXSA-N 376.484 3.303 10 40 GGCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 223701225 JKFFCVQWEXGSLF-HNNXBMFYSA-N 389.477 3.310 10 40 GGCB COC(=O)c1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1 5371728 FOAHVOAVPXZWAC-GFAPJHNFSA-N 393.486 3.174 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NC(C)(C)C)C2=O)cc1 4174714 JYWSTUCJLPCBGX-UVTDQMKNSA-N 378.519 3.201 10 40 GGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(C)n1 100423381 WVZGSBFLVIFRRP-UYRXBGFRSA-N 382.395 3.181 10 40 GGCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4O)S3)CC2)c1 941929 OKSDVSJFWRDIFF-RGEXLXHISA-N 379.485 3.493 10 40 GGCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1[N+](=O)[O-] 1858143 JVPYOZMOVRVTOE-WQLSENKSSA-N 391.455 3.203 10 40 GGCB C[C@@H](NC(=O)Cc1cccc2cccnc12)c1ccc(N2CCOCC2)cc1 19716239 RCCCVGTYQNVBTO-QGZVFWFLSA-N 375.472 3.491 10 40 GGCB O=C(CN1CCN(Cc2c(O)ccc3ccccc23)CC1)N1CCCCCC1 22788261 WAOIYHZKELBISC-UHFFFAOYSA-N 381.520 3.066 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1N1CCCC1 5484310 QMFFTQBCNJIWDR-DTQAZKPQSA-N 394.406 3.005 10 40 GGCB aggregator CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC 408798528 JCCWRVZXZHHMIG-FOWTUZBSSA-N 380.400 3.150 10 40 GGCB COc1ccc(/C=C2/C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 41084658 PCQHMGASTGODEI-GQECEEOXSA-N 383.477 3.004 10 40 GGCB COc1ccc(CC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 54035639 CKBGCBXDKDCJAG-UHFFFAOYSA-N 386.517 3.116 10 40 GGCB CCOc1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 2394299 YQHCYBPCIADKLQ-LDADJPATSA-N 395.484 3.446 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 26417132 CPVUDCGYWXAYPC-GHTZIAJQSA-N 387.549 3.089 10 40 GGCB COc1ccc(N2CCN(Cc3nc(O)c4ccc(Cl)cc4n3)CC2)cc1 6476250 CZJSNLGGOUJCEQ-UHFFFAOYSA-N 384.867 3.320 10 40 GGCB CN(C)c1ccc(CN2Cc3cc(Br)ccc3OCC2=O)cc1 67323806 WVZSDBODTOESBG-UHFFFAOYSA-N 375.266 3.436 10 40 GGCB COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 49740458 PVXZXUHGLPJXLN-UHFFFAOYSA-N 380.897 3.427 10 40 GGCB O=c1c(-c2ccc(F)cc2)c(C(F)(F)F)oc2c(CNCCO)c(O)ccc12 23127141 COSCAVDGHKBDAW-UHFFFAOYSA-N 397.324 3.405 10 40 GGCB COC(=O)c1ccccc1NC(=O)C[C@H]1SC(=O)N(c2ccccc2)C1=O 36635227 WOWCOVCTKTVCGF-OAHLLOKOSA-N 384.413 3.070 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35898094 IKTCNKUZHDUEKS-PKIAMQTDSA-N 389.473 3.265 10 40 GGCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccs2)SC1=S 2441986 NUBSXTBHYKTTMW-LCYFTJDESA-N 376.484 3.303 10 40 GGCB CCOC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 73043910 UKZSZGMUHWCGJX-QZTJIDSGSA-N 375.513 3.042 10 40 GGCB C/C=C/c1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1O 59565410 QXDHVMHTHDBFLU-NMNODTAGSA-N 392.411 3.409 10 40 GGCB COc1cccc(/C=C2\C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)c1 5842911 ZTOPGTLHZIKHEG-UNOMPAQXSA-N 377.400 3.096 10 40 GGCB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)c1c(F)cccc1C(N)=O 95468120 HIEYCPMAPIZJKY-OUKQBFOZSA-N 392.434 3.403 10 40 GGCB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217023442 FTJXOZPRLWLXBI-MRXNPFEDSA-N 387.911 3.176 10 40 GGCB CN(C)c1ccc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1 910397 SOYYYBMDIIRKCM-MHWRWJLKSA-N 375.350 3.233 10 40 GGCB Cc1nnc(S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O)o1 7365742 WCCSQGXCGGCRKB-XNTDXEJSSA-N 390.421 3.494 10 40 GGCB COc1ccc([C@@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)cc1OC 17136083 ZWMQTVKWERPDMV-NRFANRHFSA-N 385.509 3.183 10 40 GGCB CCOC(=O)N1CCN([C@@H](c2ccccn2)c2ccc3cccnc3c2O)CC1 20192758 NPJIYPKQNUZASJ-HXUWFJFHSA-N 392.459 3.199 10 40 GGCB CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1[C@@H]1CCS(=O)(=O)C1 3206581 OTBNHLYVOMUJFL-QGZVFWFLSA-N 387.550 3.420 10 40 GGCB Cc1cc(C(=O)COC(=O)c2ccccn2)c(C)n1-c1ccc2c(c1)OCO2 3507541 PIWOWOYFTFMWFC-UHFFFAOYSA-N 378.384 3.258 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 409010071 BECCTNFVOFONTO-MHWRWJLKSA-N 396.468 3.152 10 40 GGCB CN(C)c1ccc([C@@H]2NC[C@@H](CSc3nnc(-c4ccncc4)s3)O2)cc1 55243008 OOBBGTAAIFPBQM-DLBZAZTESA-N 399.545 3.445 10 40 GGCB COc1ccc(OCCCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13676534 PDMGGLZFCOFWIW-UHFFFAOYSA-N 384.476 3.007 10 40 GGCB COc1cccc(Oc2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)c1 20392245 DEJABHOEIBQAMG-UHFFFAOYSA-N 397.427 3.440 10 40 GGCB biogenic Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 408967619 WERYREBJUBCBEO-VGOFMYFVSA-N 384.775 3.044 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 35898081 ZUFOPSLTHQYKTE-PKIAMQTDSA-N 389.473 3.265 10 40 GGCB Cc1cc(C)cc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1 408887275 NIPVONFXNGWFRG-UHFFFAOYSA-N 384.819 3.285 10 40 GGCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(F)cc3F)C2=O)c(C)c1 408527213 FLGGZKYHZIRKHB-NTEUORMPSA-N 385.370 3.469 10 40 GGCB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)ccc(N2CCCC2)c1C 68561817 NAXNDBVSPZVRHR-LEWJYISDSA-N 396.560 3.263 10 40 GGCB COc1cc(N2CCCC2)ccc1/C=C1/C(=O)N(Cc2ccco2)C(=O)N=C1O 33717872 VQPMNRYJGLUQIF-GZTJUZNOSA-N 395.415 3.391 10 40 GGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 17077922 NIBKAUOXLOKCEM-ZHZULCJRSA-N 381.407 3.155 10 40 GGCB CC[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 6460326 HGCUGOPZFNHHGU-LLVKDONJSA-N 399.830 3.187 10 40 GGCB COc1ccc2c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c[nH]c2c1 6660781 VREBIRUTIIJFLS-AUWJEWJLSA-N 376.459 3.243 10 40 GGCB O=C(O)CCn1c(/C=C/c2cnc(-c3ccccc3)nc2)nc2ccccc2c1=O 40154561 DOWOUOAMAPACSF-ZHACJKMWSA-N 398.422 3.499 10 40 GGCB CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O 408881401 MEEDPOHFZAGJQL-ATVHPVEESA-N 394.427 3.323 10 40 GGCB CCCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OCC)c2)NC1=S 105001205 QDDDTGPZWUPXFL-XYOKQWHBSA-N 399.310 3.411 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409137109 WJRVIBSQCAPYQS-XNTDXEJSSA-N 396.468 3.152 10 40 GGCB CCN(CC)c1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 225670066 CKYSWQLHCHFISC-UHFFFAOYSA-N 389.521 3.143 10 40 GGCB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(C(C)C)cc3)nnc2n1 4176410 PNQHJHMXURQXSZ-UHFFFAOYSA-N 399.524 3.481 10 40 GGCB CC/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C 4741485 LBPXSOPOKYBZBT-VKAVYKQESA-N 380.477 3.238 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(O)c1 408740866 NGHBOHOHMIYMJD-LDADJPATSA-N 393.443 3.213 10 40 GGCB CCN1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1cccc(OC)c1O)N2 80324939 UBGHMLASLPJQMJ-IBGZPJMESA-N 395.503 3.442 10 40 GGCB CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)S2 5853265 NFRKBWQUXLOCMO-WQLSENKSSA-N 377.423 3.216 10 40 GGCB COc1ccc(CN2C(=O)[C@H](Cc3ccc4c(c3)OCO4)SC2=S)cc1 8117196 SUQFVUGHBPJXKJ-KRWDZBQOSA-N 387.482 3.396 10 40 GGCB Cc1c(CC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)oc2c(O)c(O)ccc12 8764315 UBHNQTCRMPUFPX-XMHCIUCPSA-N 385.460 3.482 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1O 408776603 WWQKETYEWSPSCQ-MHWRWJLKSA-N 380.400 3.074 10 40 GGCB COc1ccc(NC2(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 226297737 AGOPCQLORBXFGB-UHFFFAOYSA-N 386.407 3.313 10 40 GGCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1O 664534 OKFMNMAPPMJKKH-GDNBJRDFSA-N 396.468 3.239 10 40 GGCB CN(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N(C)C)cc1 5097697 GHXHKRAFYHYOIT-SFHVURJKSA-N 390.871 3.347 10 40 GGCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccc([N+](=O)[O-])c1 1839892 VESXPXYERDSYTF-WQLSENKSSA-N 391.455 3.203 10 40 GGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OC(=O)c2ccnn2C)c1 101609791 PFCFQJOGPDWPQW-XMHGGMMESA-N 386.411 3.445 10 40 GGCB Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc5c(c4)OCO5)C(=O)N=C3S2)cc1 3858709 JHVKERBOEAGMGX-TVJXHFOGSA-N 390.424 3.391 10 40 GGCB CCOc1ccc(O)c(CN2CCN(Cc3cc(OCC)ccc3O)CC2)c1 19365165 YRSGYTGLYBMKPN-UHFFFAOYSA-N 386.492 3.213 10 40 GGCB CO[C@H]1OC[C@@H](N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 4934375 LDKUKCNTXKOLMH-WWNBULGVSA-N 397.387 3.119 10 40 GGCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)S1 3662763 XEFLGNRQZLMOCR-YVLHZVERSA-N 396.424 3.070 10 40 GGCB CCOc1ccc2ccc(OCC)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2c1 59109614 ZXBRIOAFKRKUFL-UHFFFAOYSA-N 382.416 3.071 10 40 GGCB COc1cc(C(=S)N2CCN(c3ccccc3Cl)CC2)cc(O)c1O 13121809 BUROKOGOWXVRCQ-UHFFFAOYSA-N 378.881 3.258 10 40 GGCB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1cccc(O)c1 13749544 VCVJEVSDJHEFDF-AQTBWJFISA-N 383.448 3.324 10 40 GGCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)SC1=S 1277141 MCMQJMNDHMXPOV-DHDCSXOGSA-N 395.502 3.247 10 40 GGCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCCN1CCOCC1 14201520 NPFPDDWKYGNTAV-QINSGFPZSA-N 382.938 3.264 10 40 GGCB CC1(C)C[C@]2(C[C@@H](c3ccccc3F)c3ccc(O)c(O)c3O2)NC(=S)N1 13571067 LEGCCBSEPHWKRY-RNODOKPDSA-N 388.464 3.494 10 40 GGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5235977 PJUWRTMAZQEHDN-PCRWRXJSSA-N 389.502 3.418 10 40 GGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O 13800469 IWYSGHMAFVVDAY-BQGMYUGNSA-N 388.383 3.075 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 6523367 CMDLVPHUZMUYLX-ZNLHFFCSSA-N 391.489 3.345 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)CO[C@H]3C[C@H](C)CC(C)(C)C3)CC2)cc1 55501559 UBJHMGJIUMQJAG-DWLFOUALSA-N 390.568 3.410 10 40 GGCB CCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OC)C2=O)cc1OC 1766249 XUDHEPUARFWSTI-XNTDXEJSSA-N 395.502 3.248 10 40 GGCB O=C(COc1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 58083204 QWGRAMHOZFOWEU-UHFFFAOYSA-N 388.895 3.244 10 40 GGCB CC(C)c1ccc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 27530434 IWMBJDCNVCGAIG-FYQHACEVSA-N 393.486 3.329 10 40 GGCB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 5173654 ZTVVCLQYAFBQPK-NVNXTCNLSA-N 382.217 3.392 10 40 GGCB CCc1ccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)cc1 2684414 METSKVZPIRYVNF-HXUWFJFHSA-N 384.481 3.328 10 40 GGCB COc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)cc1OC 17136084 ZWMQTVKWERPDMV-OAQYLSRUSA-N 385.509 3.183 10 40 GGCB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1 2283213 YMSFSKBIRLVTGT-WQRHYEAKSA-N 389.411 3.147 10 40 GGCB CCN(CC)CCCN/C=C1\C(=O)N(c2cccc3ccccc23)C(=O)N=C1O 103096918 JAYNWQIEUMBXSK-SDXDJHTJSA-N 394.475 3.468 10 40 GGCB CCOc1ccccc1/C=C1\SC(=S)N(CC(=O)OCC(C)C)C1=O 12635909 CHMKQFOERPTDGN-DHDCSXOGSA-N 379.503 3.486 10 40 GGCB CC1(C)NC(=O)N(CCCN2CCCc3cc(OC(F)(F)F)ccc32)C1=O 71970150 VEZWAPKYQZKOKF-UHFFFAOYSA-N 385.386 3.058 10 40 GGCB C[C@@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)ccc2O1 408710768 JRXPUDHDOZLEOO-LKBVRNOZSA-N 382.803 3.330 10 40 GGCB O=C1/C(=C\c2ccc[nH]2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 409340339 VMFFOVDOBJUYQF-VIZOYTHASA-N 387.530 3.464 10 40 GGCB CCCC1=NN2C(=N)/C(=C\c3ccc(OC)c(OC)c3OC)C(=O)N=C2S1 4616393 KBKBDBKBCMVDHW-ADDWOTBTSA-N 388.449 3.132 10 40 GGCB Cc1cc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Cl 217011511 UXQANSUQACRYPW-UHFFFAOYSA-N 387.911 3.095 10 40 GGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 15134053 ZGVCBXVQKAGXSG-ZROIWOOFSA-N 397.347 3.236 10 40 GGCB COc1ccc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)cc1OC 20226921 SHDYOFKNZWJDMC-YBEGLDIGSA-N 384.413 3.484 10 40 GGCB CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 4700142 SUEDETBJNDYYLO-PDGQHHTCSA-N 390.395 3.494 10 40 GGCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@H](O)c1ccc(O)c(O)c1 604405059 VBJWEVIUNBTEJE-FQEVSTJZSA-N 399.402 3.358 10 40 GGCB biogenic COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 634398 DMSUPCYNWOGNQC-YBEGLDIGSA-N 383.400 3.170 10 40 GGCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccccc1Cl 4083675 JQMRKSHBHFVKOK-UHFFFAOYSA-N 387.892 3.346 10 40 GGCB O=C(C(=O)c1n[nH]c2c3c(ccc12)C(=O)c1ccccc1C3=O)c1ccccc1 4817776 UASNKBWILVPNSG-UHFFFAOYSA-N 380.359 3.404 10 40 GGCB Cc1cc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)no1 6404364 WMUORKDYODWSLK-UKTHLTGXSA-N 391.449 3.352 10 40 GGCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(O)cc4)S3)CC2)cc1 9188204 VUDIOPWGVOPXPY-RGEXLXHISA-N 395.484 3.193 10 40 GGCB O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(Cl)cc1 13855796 DOSDGIZMFSMOHV-LFIBNONCSA-N 387.798 3.096 10 40 GGCB CCOc1ccccc1N1C[C@](O)(c2ccc(OC)cc2)[N+]2=C1SCCC2 27525070 BTZHVMUKZUKXEV-NRFANRHFSA-N 385.509 3.265 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1Cl 408981801 CBXJEJQXUJZIIP-MLPAPPSSSA-N 384.775 3.044 10 40 GGCB O[C@@]1(c2ccccc2)CN(c2ccc(Br)cc2)C2=[N+]1CCS2 22404213 UFXMGYGSMNDTNU-QGZVFWFLSA-N 376.299 3.230 10 40 GGCB CN1CCN(C(=O)CCCN2C(=O)S/C(=C/c3ccccc3)C2=S)CC1 19790484 OZLCENYHWDQJRW-JQIJEIRASA-N 389.546 3.078 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(O)cc1 409075273 YGCBKRLDQDFLFP-BOPFTXTBSA-N 395.411 3.287 10 40 GGCB COc1ccc(N2CCN(CC(=O)Nc3nc4ccc(C)cc4s3)CC2)cc1 14001664 NACRBOAOQABNJX-UHFFFAOYSA-N 396.516 3.374 10 40 GGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1 17080800 GOTNWJFXXZSNJR-QNGOZBTKSA-N 395.434 3.198 10 40 GGCB COC(=O)CCCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 5214848 QVGRLFFWPBPJPA-XNTDXEJSSA-N 393.486 3.350 10 40 GGCB COCCN1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 409129507 GSRMEXHLAIVDDS-UKTHLTGXSA-N 385.283 3.198 10 40 GGCB CCOc1ccc(N/C=C2\C(=O)N=C(S)N(Cc3ccccc3)C2=O)cc1 102545977 KTUYWYAGSFPBFT-SFQUDFHCSA-N 381.457 3.236 10 40 GGCB O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1cccnc1Cl 59294076 KULDNYSYYQMZGT-GQCTYLIASA-N 388.811 3.132 10 40 GGCB NC(=O)[C@H]1CCCN(c2ccc(CNc3nc(-c4ccccc4)no3)cc2)C1 58393408 MMKVWTPVLGVPHL-KRWDZBQOSA-N 377.448 3.050 10 40 GGCB Cn1c(/C=C2/SC(Nc3ccc(C(=O)O)cc3)=NC2=O)nc2ccccc21 20227144 YFYJAHUSVJBMQU-XNTDXEJSSA-N 378.413 3.354 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1Br 4704719 QJCRJSSAEZJLPD-UKTHLTGXSA-N 389.180 3.255 10 40 GGCB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2OC)C1=O 409230831 GCMMIBMGQJCLBO-HNEYUBDGSA-N 376.478 3.367 10 40 GGCB Cc1ccc(C2(O)CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 12292819 JALBDPVIGBOYTM-UHFFFAOYSA-N 384.495 3.454 10 40 GGCB Cc1occc1C(=O)NN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13720187 DBWITNHLTIOBRX-ZROIWOOFSA-N 396.453 3.077 10 40 GGCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)c1 1407669 LWZZHPBPMMGOSZ-MDWZMJQESA-N 386.860 3.494 10 40 GGCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccc[nH]1 7978939 OCNXBJXIJQYCFB-UHFFFAOYSA-N 393.782 3.483 10 40 GGCB COc1ccc(N2CCN(C(=O)CNc3ccc(Cl)cc3F)CC2)cc1 57585218 BJYQFLXFZIJNHG-UHFFFAOYSA-N 377.847 3.248 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(Br)cc1 5650168 UTGBCHLZVQSGCC-GXDHUFHOSA-N 386.205 3.028 10 40 GGCB COc1ccc2ccc(OC)c(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2c1 409197534 IBUJXVRISGBECD-PDGQHHTCSA-N 394.427 3.261 10 40 GGCB O=C(CSc1nccs1)Nc1ccc(I)cc1 47239650 KWYONBRQTHGXFD-UHFFFAOYSA-N 376.244 3.479 10 40 GGCB CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 19108574 SVRIELJZCAQQHH-UHFFFAOYSA-N 376.463 3.087 10 40 GGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)s1 4703306 SJMPDQASKDISAE-YRNVUSSQSA-N 395.209 3.316 10 40 GGCB CCCCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC 2303389 GSEYKXDWXDBGTN-GHRIWEEISA-N 376.478 3.177 10 40 GGCB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 4330476 RTMQNHXDYASUDY-HXUWFJFHSA-N 396.535 3.035 10 40 GGCB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 225838960 MEFLCCMXXJTJTM-OAHLLOKOSA-N 399.516 3.357 10 40 GGCB COc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1OC 22418335 MXUZVGHPNKXBEE-SFHVURJKSA-N 386.496 3.194 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 3196253 DHSIAFJABIJPPX-RAXLEYEMSA-N 379.459 3.231 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COCC[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 104492549 KTLXAERMSRLXKX-NXLVEIQXSA-N 388.552 3.021 10 40 GGCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(OC)c1OC 409129326 JIGZUKQGPFTLKF-WJDWOHSUSA-N 398.440 3.113 10 40 GGCB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 217032744 VBQDWQSQDQOHPV-LJQANCHMSA-N 381.520 3.139 10 40 GGCB CCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 18208855 FJDLKGQIFWRIDC-QRVBRYPASA-N 399.878 3.272 10 40 GGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1c(O)ccc2ccccc12 408896730 ZLDZKURKQOEYNG-AQTBWJFISA-N 381.428 3.255 10 40 GGCB Cc1cc(C)cc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1 5570673 HUQSLSNASFJCHO-UHFFFAOYSA-N 381.501 3.310 10 40 GGCB COc1ccc(N2CCN(C(=O)c3nnsc3-c3ccccc3)CC2)cc1 72239990 YMCVGHRCEPMSJO-UHFFFAOYSA-N 380.473 3.176 10 40 GGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1O 108981461 RYNMEXQCDFPHHP-GHXNOFRVSA-N 393.624 3.270 10 40 GGCB COc1ccc(N(CC(=O)O)CC(=O)NCc2ccc(Cl)cc2Cl)cc1 34926486 ORXJCMHSDJTIBU-UHFFFAOYSA-N 397.258 3.209 10 40 GGCB COCc1cc(C)nc(Nn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)n1 1547201165 YOJRAEUFBFOSBX-UHFFFAOYSA-N 398.422 3.333 10 40 GGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408817171 ZVWSCEVISIIOKO-GZTJUZNOSA-N 394.427 3.377 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(C)C)cc3)CC2)cc1 23224607 KUJVHTBDOQLVJR-OAQYLSRUSA-N 384.520 3.381 10 40 GGCB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc([N+](=O)[O-])ccc1O 32810012 RPAVCLFIVLQPFI-UHFFFAOYSA-N 399.325 3.270 10 40 GGCB CC(=O)N1CCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 34872559 BNMZBHYHQLVSGG-MRXNPFEDSA-N 387.911 3.483 10 40 GGCB COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1O 13343079 SSAHQDJWKBSLIB-UVTDQMKNSA-N 381.475 3.247 10 40 GGCB CCOc1ccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C)cc1 5635878 UGIPVRBPYNAAFO-UHFFFAOYSA-N 395.415 3.446 10 40 GGCB CC(=O)N[C@H]1[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-] 37246064 DTOKMRPGYNPGPJ-ZQNQSHIBSA-N 386.376 3.101 10 40 GGCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)o2)c([N+](=O)[O-])c1 41076632 SKCHWJQSVSRRQQ-HGLSAHSWSA-N 397.372 3.112 10 40 GGCB Cc1ccc(C)c(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2SCCC3)c1 2965856 XLLXRHZRFRXBHK-JOCHJYFZSA-N 397.520 3.245 10 40 GGCB CCOc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 6471264 VJJSWIVEDNFMNK-NSHDSACASA-N 394.518 3.171 10 40 GGCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)n1-c1ccccc1 223598594 KRAIVAPJHXONNV-PMACEKPBSA-N 378.501 3.146 10 40 GGCB COc1ccc2c3c(n(C[C@@H]4CCCO4)c(=O)c2c1OC)-c1ccccc1C3=O 604405989 WDUAQZYOFOEDNQ-ZDUSSCGKSA-N 391.423 3.409 10 40 GGCB biogenic Cc1oc2c(c1C(=O)NC1CC(C)(C)NC(C)(C)C1)C(=O)c1ccccc1C2=O 5611833 QCKNHTVDIZPVBT-UHFFFAOYSA-N 394.471 3.402 10 40 GGCB CCN(CC)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)c(OC)c1 9471243 QREBEAADCJQLSC-XDHOZWIPSA-N 379.485 3.312 10 40 GGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(O)=NC1=S 20035571 JMLUWMWJEIYPLE-MHWRWJLKSA-N 397.456 3.279 10 40 GGCB COc1cccc(N2C(=O)N=C(O)/C(=C\Nc3ccc(NC(C)=O)cc3)C2=O)c1 102500854 TVGQUVWRULFRES-GZTJUZNOSA-N 394.387 3.073 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 222479132 FJSHFAUKEQNYEU-ZNLHFFCSSA-N 389.473 3.121 10 40 GGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/NC12CC3CC(CC(C3)C1)C2 20792529 YQVIMVHDFYMXSP-GZTJUZNOSA-N 399.878 3.365 10 40 GGCB COc1ccc(N(Cc2ccc(C(N)=O)cc2)Cc2ccc(C(N)=O)cc2)cc1 32873651 GVOSWPYHSIWNKB-UHFFFAOYSA-N 389.455 3.100 10 40 GGCB COC(=O)c1cc(/C=C2/SC(N(C(C)=O)c3ccccc3)=NC2=O)oc1C 97046511 PPQNFMPGWCFPDN-MHWRWJLKSA-N 384.413 3.398 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 6523378 CMDLVPHUZMUYLX-XWKQNIGYSA-N 391.489 3.345 10 40 GGCB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 20452607 BIXWMNGXMMEORO-NRFANRHFSA-N 384.476 3.006 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(=O)c4ccc(C)c(C)c4o3)CC2)cc1 9341651 CJGYYZWRHCLRBN-UHFFFAOYSA-N 392.455 3.381 10 40 GGCB CCOc1ccc(N2CCN(C(=O)c3ccn(-c4cccc(F)c4)n3)CC2)cc1 89991130 ZBOGTSFQMKXSTC-UHFFFAOYSA-N 394.450 3.373 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 35898080 ZUFOPSLTHQYKTE-BVIHXZOGSA-N 389.473 3.265 10 40 GGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1 223574679 JAIZMBGLGDFQHX-RTWAWAEBSA-N 392.528 3.454 10 40 GGCB O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)N1CCOCC1 1050439 COBDLPXRVVFIAP-FYWRMAATSA-N 376.503 3.163 10 40 GGCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 12445826 XYVLAWQYIFKOLS-GHRIWEEISA-N 393.418 3.401 10 40 GGCB COc1ccc(CN2C(=O)/C(=C\c3cn(C)c4ccccc34)C(=O)N=C2O)cc1 2287199 KJIDHDAPUCPNCF-WQRHYEAKSA-N 389.411 3.053 10 40 GGCB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1 408940197 UOKSMEVGPAKCBV-AQTBWJFISA-N 380.400 3.150 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C2=O)cc1 408964352 GIWCCKCNNLPSHI-CPNJWEJPSA-N 387.395 3.158 10 40 GGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)SC1=S 6205496 KXISGCDMRFZDHL-YBEGLDIGSA-N 385.514 3.414 10 40 GGCB Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1C 12972328 GIFPHCPTTVKSJJ-UHFFFAOYSA-N 388.898 3.129 10 40 GGCB CN1CCN(C2=NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)CC1 19842439 AMIUOCAWWZYPMD-HKWRFOASSA-N 393.512 3.483 10 40 GGCB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217026954 JRINHGGRYSPEAA-NRFANRHFSA-N 385.483 3.051 10 40 GGCB CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 225421126 NFNMPLOXBUYEPL-UHFFFAOYSA-N 399.516 3.187 10 40 GGCB CN(CCO)c1cc(Nc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O 5487393 SZEYFADPSODJRQ-UHFFFAOYSA-N 387.439 3.216 10 40 GGCB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cc(C)ccc3O)C2)cc1 80316278 AZIYWGHSWJVSSZ-GOSISDBHSA-N 382.416 3.252 10 40 GGCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35898093 IKTCNKUZHDUEKS-BVIHXZOGSA-N 389.473 3.265 10 40 GGCB COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)C(O)=NC2=S)cc1 1197671 XSFIYHPVJNDLQS-RVDMUPIBSA-N 398.440 3.384 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1277043 KPDNVUCBWCUKTF-KLDHPSGWSA-N 386.838 3.011 10 40 GGCB Cc1nc([N+](=O)[O-])c(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1C 101101403 SCZGIWFQAPKJPK-CQSZACIVSA-N 379.848 3.072 10 40 GGCB CCCN1C(=O)/C(=C\c2ccc(N(C)C)o2)C(=O)N(c2ccccc2)C1=S 409023271 WGVDARRITZOVBM-DTQAZKPQSA-N 383.473 3.299 10 40 GGCB COc1ccc(-c2csc(NNS(=O)(=O)c3ccc(C)cc3)n2)cc1 1415071 LTNDQIANBDPSGX-UHFFFAOYSA-N 375.475 3.433 10 40 GGCB CCCCCCN1C(=O)NC(=O)/C(=C\c2cc3c4c(c2)C[C@@H](C)N4CCC3)C1=O 2263956 DZCSDKRNIDZRLK-WBFOAEISSA-N 395.503 3.426 10 40 GGCB CCOc1cc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)ccc1O 5372090 RBJXYLOBLGKPPA-CDCQXCROSA-N 395.502 3.491 10 40 GGCB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963200 DCFXRLTZZGGKIG-QFIPXVFZSA-N 379.504 3.254 10 40 GGCB Oc1ccc(Br)cc1[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 31771975 XBWYVAVHKZBVJT-GOSISDBHSA-N 392.249 3.305 10 40 GGCB COc1ccc(N2CCN(CCCNC(=O)C(C)(C)c3ccccc3)CC2)cc1 32765306 YVBKEDOXSLJERF-UHFFFAOYSA-N 395.547 3.301 10 40 GGCB COc1ccc(N2C(=O)N=C(O)/C(=C\Nc3ccc(NC(C)=O)cc3)C2=O)cc1 102514510 MRUSDWPCWDIKLE-GZTJUZNOSA-N 394.387 3.073 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1 409233723 HNFFKWBABZLQDU-MHWRWJLKSA-N 396.468 3.152 10 40 GGCB CN(C)CCCNc1cc(N2CCCC2)c(N)c2c1C(=O)c1ccccc1C2=O 6664689 BDZHYZOSMDIHSK-UHFFFAOYSA-N 392.503 3.008 10 40 GGCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1276899 HHZODAOCSXTTMY-XNYAHFKXSA-N 386.292 3.212 10 40 GGCB COc1ccc(Oc2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 20390880 BSNGBVCGIHUQDV-UHFFFAOYSA-N 397.427 3.440 10 40 GGCB biogenic COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1O 4916987 JROOXIRDBPLORW-GDWDSQERSA-N 376.463 3.119 10 40 GGCB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNC3CCCC3)c2oc1=O 13656061 MQWGGMGHAWFMOE-UHFFFAOYSA-N 379.840 3.208 10 40 GGCB Cc1cc(C)c(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 16134558 WCIPSJKNVRSYFA-UHFFFAOYSA-N 382.504 3.486 10 40 GGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409095647 IEPBBNVEHZOOSW-FOWTUZBSSA-N 379.391 3.092 10 40 GGCB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)c(C)cc3O)CC2)cc1C 25139409 VEOFWKHJCLYLSJ-UHFFFAOYSA-N 388.533 3.132 10 40 GGCB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)cc3C)C2=O)cc1 9263298 WBXYZPVJEUITKY-KGENOOAVSA-N 391.471 3.233 10 40 GGCB COc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 8770123 SEJOUFFFEGXVQD-YBEGLDIGSA-N 380.400 3.191 10 40 GGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(O)c1 33780287 FMYSAZIKIIOYEC-BOPFTXTBSA-N 380.356 3.178 10 40 GGCB CC(C)c1ccccc1OCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 222815431 TVOFOPSRERDZAV-UHFFFAOYSA-N 381.520 3.257 10 40 GGCB COc1ccc(N2CCN(C(=O)COc3cccc4c3CCCC4)CC2)cc1 223078386 CJBFYGGHQBVYCD-UHFFFAOYSA-N 380.488 3.302 10 40 GGCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 6188621 WENNICYUNJBJEQ-YBEGLDIGSA-N 379.372 3.186 10 40 GGCB COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 2746879 XRPSRZRVUHRTKN-SRVKXCTJSA-N 379.478 3.489 10 40 GGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 56105706 JVXBPYQSPHRFSH-UHFFFAOYSA-N 378.494 3.029 10 40 GGCB COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc(OC)c1OC 8994914 HWEWRECTQFLKFW-ZROIWOOFSA-N 382.372 3.219 10 40 GGCB COc1cc(NC(=O)NCCCSc2nccs2)ccc1NC(C)=O 79059429 VNHPSOVYQNZPFO-UHFFFAOYSA-N 380.495 3.414 10 40 GGCB COc1ccc(OCc2cc(O)n3ncc(C(=O)Nc4ccccc4)c3n2)cc1 19556906 KEUNCTSYSPQNAR-UHFFFAOYSA-N 390.399 3.275 10 40 GGCB Cc1cc2c(cc1C=C1C(=O)N(C)C(=S)N(C)C1=O)[C@@H](C)CC(C)(C)N2C 113776956 ZIDCOOVBZGHIBF-ZDUSSCGKSA-N 385.533 3.316 10 40 GGCB NC(=O)c1c(NS(=O)(=O)c2cccc3cccnc23)sc2c1CCCC2 27916366 HNMBIUSGZGOOLM-UHFFFAOYSA-N 387.486 3.075 10 40 GGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1O 408894946 LEMPFMUYBWDRIX-XNTDXEJSSA-N 380.400 3.074 10 40 GGCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/SC(=S)N(CC(=O)O)C1=O 6626224 BMVBFUDDWUPYBR-RIYZIHGNSA-N 380.466 3.020 10 40 GGCB CN1CCc2cc([C@H](CNC(=O)COc3ccccc3)N3CCCCC3)ccc21 13007680 OPEUIHJIKIRMCX-QHCPKHFHSA-N 393.531 3.401 10 40 GGCB CC[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 48368362 KIKIDTHQCTZXNI-FPOVZHCZSA-N 379.504 3.198 10 40 GGCB COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c(OC)c1 225419828 QLFRBAYUBYPDTC-UHFFFAOYSA-N 387.505 3.027 10 40 GGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15974353 AQRGBVQAGJFPIC-GDNBJRDFSA-N 396.363 3.035 10 40 GGCB COc1ccc(-c2coc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1OC 20567496 ZYODMTCDYQXAMM-UHFFFAOYSA-N 397.427 3.015 10 40 GGCB biogenic CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 409236860 HPQSXQXNYFJTRB-RVDMUPIBSA-N 396.468 3.234 10 40 GGCB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccc(OC(F)F)cc1 6477146 ZZSZIVRBUBFLCJ-UHFFFAOYSA-N 393.419 3.371 10 40 GGCB Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccc(F)cc1 2977772 SAAOFECSKMAMHA-UHFFFAOYSA-N 393.443 3.051 10 40 GGCB COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(OC)c1O 5371975 NWSWLGSAQGIJBH-ZSOIEALJSA-N 377.443 3.404 10 40 GGCB CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc([N+](=O)[O-])c1O 408935524 HOMNINGQNZNXGX-OQLLNIDSSA-N 395.371 3.141 10 40 GGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(O)cc1 1274954 ADVASRMVMYKDMA-AQTBWJFISA-N 383.448 3.324 10 40 GGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 5373689 JKQCHIAYAZVAJN-WXHLEUTKSA-N 395.502 3.404 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1cccnc1 13532610 QVSSKCNZNMAARB-JYRVWZFOSA-N 375.862 3.281 10 40 GGCB COC(=O)Cc1c(C)c2ccc(O)c(CN(C)Cc3ccccc3)c2oc1=O 85879929 WQIYKDMALCBQJY-UHFFFAOYSA-N 381.428 3.155 10 40 GGCB biogenic O=S(=O)(Nc1nccs1)c1ccc(/N=N\c2ccc(O)nc2O)cc1 104124031 WALRBFYYKMUYOE-ZCXUNETKSA-N 377.407 3.166 10 40 GGCB COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 409017496 WYXAKKVVKNHMAW-FKKWJZCKSA-N 394.452 3.091 10 40 GGCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 13714052 SOBGLRVNGACREC-LUMBYOQCSA-N 395.502 3.093 10 40 GGCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(O)c1 408939413 SHAIQVUQVROZMM-GHXNOFRVSA-N 377.183 3.365 10 40 GGCB CN(C)c1ccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615126908 AWKAQPURWFYPHB-QHCPKHFHSA-N 397.494 3.290 10 40 GGCB COc1ccc(N(CC(=O)O)CC(=O)NCc2ccc(Cl)c(Cl)c2)cc1 34926487 CKEOIDCQRJEWGE-UHFFFAOYSA-N 397.258 3.209 10 40 GGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nn1c(C)nc2ccccc2c1=O 4646455 AQKZHWVIZRRYFI-BOPFTXTBSA-N 393.834 3.208 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)ccn3)cc2F)C[C@H](C)O1 70019529 BHEGEMKHFBEAKT-STQMWFEESA-N 377.847 3.418 10 40 GGCB Oc1ccc(Br)cc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 19792304 YNTXNYUEXYOHDS-PMPSAXMXSA-N 377.326 3.485 10 40 GGCB COc1ccc([C@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCS3)cc1OC 17135698 FVFDGQSEZIKZKB-JOCHJYFZSA-N 399.536 3.491 10 40 GGCB COc1cccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)c1OC 13773723 AFLYWFBBQGSAHY-GDNBJRDFSA-N 384.363 3.345 10 40 GGCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13614807 CQYMCBGYNJJBJR-WJDWOHSUSA-N 385.401 3.157 10 40 GGCB Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(N)=O)cc3)SC2=S)cc1 409216249 JFPCXEZLVLZMJH-MHWRWJLKSA-N 384.482 3.265 10 40 GGCB CCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl 225779501 AKCTUODUVWOECR-UHFFFAOYSA-N 387.911 3.421 10 40 GGCB CN1CCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 22733218 VDCVQYQQRKTDFT-OAQYLSRUSA-N 399.922 3.136 10 40 GGCB COc1ccccc1Oc1c(C)oc2c(CN3CCOCC3)c(O)ccc2c1=O 20358557 YKTZPZUXDKGYON-UHFFFAOYSA-N 397.427 3.440 10 40 GGCB biogenic O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1N1C(=O)c2ccccc2C1=O 1387686 VMHBZCZJZUURMY-ZROIWOOFSA-N 384.413 3.238 10 40 GGCB CCOc1cc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)ccc1O 5372087 RBJXYLOBLGKPPA-ZENNRRHLSA-N 395.502 3.491 10 40 GGCB Cc1ccc(O)c(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 2037977956 ABKVANKEUBKCLK-QFIPXVFZSA-N 384.451 3.238 10 40 GGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 2452582 RKUJFMHPDZGJGJ-OJLMPMFISA-N 381.475 3.158 10 40 GGCB COc1ccc(N2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC2)cc1 2628308 NCPFJVWPSSBUBC-UHFFFAOYSA-N 396.487 3.136 10 40 GGCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 4682277 SVSLBUMCDQBLDE-MHWRWJLKSA-N 377.331 3.147 10 40 GGCB CN(C)c1ccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615118885 FGKDOVRFIKPFFM-UHFFFAOYSA-N 397.494 3.290 10 40 GGCB Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3nccnc3N)c2C)c1 4541347 MCQFWTJSZCDBAI-UHFFFAOYSA-N 378.432 3.123 10 40 GGCB CC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 5260833 JFQYERFXNQUKLT-YBEGLDIGSA-N 383.791 3.121 10 40 GGCB CN1C(=O)C(=Cc2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N(C)C1=S 4711837 XNGRJYFMWHVVRF-UHFFFAOYSA-N 393.390 3.095 10 40 GGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc(Cl)ccc3O)C2=O)c1 408531665 LCGRJMOHOLAYNL-UKTHLTGXSA-N 385.807 3.241 10 40 GGCB C[C@@H]1[C@H]2C=C[C@@H]1[C@H](C(=O)O)[C@@H]2c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 5030654 BSAMRWOMXJWVCE-BGVQVSHUSA-N 394.379 3.251 10 40 GGCB in-vitro Cc1cc(-c2cc3nc(C)c(C)c(NCCc4ccc(O)c(O)c4)n3n2)no1 13225862 ZMTUFXMDKFXASH-UHFFFAOYSA-N 379.420 3.375 10 40 GGCB COc1cccc(Oc2coc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)c1 20412399 PVNYUXFPDKKXKO-UHFFFAOYSA-N 396.443 3.047 10 40 GGCB COc1ccc(N2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 35388268 BNSCOMBYGCWAQL-QFIPXVFZSA-N 379.504 3.181 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 2174151 SQBHNUUENMVFIU-BOPFTXTBSA-N 381.359 3.401 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Br)s2)C1=O 6083642 LLEMTDPJGZRGPB-FLIBITNWSA-N 391.246 3.485 10 40 GGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2C)cc1 19902571 FGTGMUKXNIQSMR-HZPDHXFCSA-N 384.476 3.173 10 40 GGCB CN1CCN(C2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)CC1 23109665 MFWRRUUISSOMOX-HMMYKYKNSA-N 393.512 3.483 10 40 GGCB O=C(NC1CCCCC1)C(=Cc1ccc(O)c(O)c1)C(=O)NC1CCCCC1 3234956 MCQVTZRRNMSDNE-UHFFFAOYSA-N 386.492 3.379 10 40 GGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 5372049 MWLDGRGCMZUVPQ-HOXUKUGESA-N 381.475 3.245 10 40 GGCB CCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 112122013 RDSUOLXDYNCKIU-ATVHPVEESA-N 386.477 3.226 10 40 GGCB CCN1c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2C(C)=CC1(C)C 113819952 CIHPEHXJIUJHSZ-UHFFFAOYSA-N 383.517 3.307 10 40 GGCB CCN(CC)c1ccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1 19526501 MDFYIOQGBNACTG-UHFFFAOYSA-N 389.503 3.236 10 40 GGCB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3O)=NN12 10213918 RGIIZFKPBUHKHM-IBGZPJMESA-N 377.444 3.274 10 40 GGCB CCOc1cccc(/C=C2\C(=O)N(Cc3cccnc3)C(C)=C2C(=O)OC)c1O 6935642 IRFAXIFADCXSKK-BOPFTXTBSA-N 394.427 3.059 10 40 GGCB COc1ccc(N2CCN(C(=O)c3ccc(Cn4ccnc4C)cc3)CC2)cc1 38851187 WWNXFYVOMWKJCR-UHFFFAOYSA-N 390.487 3.211 10 40 GGCB CN1C(=O)C(=Cc2ccc(-c3ccc(OC(F)(F)F)cc3)o2)C(=O)N(C)C1=O 41074137 CALQQYPXJDMDPS-UHFFFAOYSA-N 394.305 3.279 10 40 GGCB CCCOc1cccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1OC 95117308 KSSQFOYPZLIFAH-RAXLEYEMSA-N 381.475 3.160 10 40 GGCB Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 13008365 LTPYYRFPHOOMCI-QHCPKHFHSA-N 393.531 3.181 10 40 GGCB O=C1/C(=C\c2ccc3ccccc3c2)SC(=S)N1CCN1CCOCC1 96019596 KHMDKJQFRQASNO-NBVRZTHBSA-N 384.526 3.373 10 40 GGCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1 409125055 IVVBDHSQWRZUPJ-LFIBNONCSA-N 396.468 3.152 10 40 GGCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 2298111 OKNKXQXOIBEIBA-NTUHNPAUSA-N 389.414 3.280 10 40 GGCB Cc1ccc(C)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2SCCC3)c1 2965855 XLLXRHZRFRXBHK-QFIPXVFZSA-N 397.520 3.245 10 40 GGCB NC(=O)COc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 409352097 WCSBKFVYYNCFKF-GDNBJRDFSA-N 376.503 3.085 10 40 GGCB COc1ccc(N2CCOCC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 20528803 SCEXQKQMWLFBMQ-UHFFFAOYSA-N 391.811 3.346 10 40 GGCB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 20458461 YMQMIXIOKBELKH-OAQYLSRUSA-N 384.476 3.210 10 40 GGCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)cc1 408894621 RVMDKHBVCXBISO-ZHZULCJRSA-N 393.439 3.316 10 40 GGCB CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33751252 QOKMDMJUDNDMKF-IGWPVBGESA-N 381.388 3.234 10 40 GGCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 993860 TYWZYBHHSGGSHB-GHXNOFRVSA-N 378.171 3.363 10 40 GGCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 5894122 OGLIWLSMSSGLMF-WOJGMQOQSA-N 381.501 3.474 10 40 GGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 1192740 JGSZVLDUAYIMGF-XMHGGMMESA-N 375.428 3.262 10 40 GGCB CC(C)n1nc(O)c2c(-c3cnn(C)c3)c3oc4c(O)c(O)ccc4c3nc21 95477532 DERAPNWTWWUYNO-UHFFFAOYSA-N 379.376 3.429 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(O)c1 408900379 VKKAQCYIPOKOOU-VGOFMYFVSA-N 386.791 3.029 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCCC3)cc2)C1=O 6456529 GSPGXONEAIZVGS-JXAWBTAJSA-N 375.428 3.262 10 40 GGCB O=[N+]([O-])c1cc([C@@H]2OCCCN2Cc2ccccc2)ccc1N1CCOCC1 59489923 JTQQXJFYOUZLSC-NRFANRHFSA-N 383.448 3.353 10 40 GGCB Oc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1O 35606559 DXMRKNLJCIMJRA-UHFFFAOYSA-N 376.372 3.322 10 40 GGCB COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 642056 CUVOGYYDQAYINR-VXTNGOHYSA-N 382.416 3.222 10 40 GGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235945 WUTPOPGJAZRACM-YFBAIUBQSA-N 375.475 3.263 10 40 GGCB CCCCOC(=O)CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 4814877 HTKSYENDGICWJS-XNTDXEJSSA-N 393.486 3.350 10 40 GGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 408897584 YOWMQILVPBXRFC-XNTDXEJSSA-N 386.791 3.111 10 40 GGCB CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 7113445 VZVGYIGTCONSCW-KRWDZBQOSA-N 379.382 3.244 10 40 GGCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(F)c(Cl)c2)C1=O 408536582 WSTWCXZAWFENGD-PKNBQFBNSA-N 389.770 3.067 10 40 GGCB COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3O)CC2)cc1 8728170 YAYFWAILUKXBFH-UHFFFAOYSA-N 391.265 3.126 10 40 GGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1c(F)cccc1Cl 408895164 UDHLJNTYOLZHMP-IGVUGNCQSA-N 379.815 3.331 10 40 GGCB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c1 409325718 ABZMDCJCPXDJOH-RQZCQDPDSA-N 398.440 3.390 10 40 GGCB COc1cc(/C=C2/C(=O)N(C(=O)Cc3ccccc3)N=C2C)cc(OC)c1OC 17218479 OJNHERKBJWOGLJ-LICLKQGHSA-N 394.427 3.083 10 40 GGCB COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8963328 BLWPQTKKHZCOBD-QFIPXVFZSA-N 379.504 3.254 10 40 GGCB O=C1N=C(NC2CCCCC2)S/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 21314762 WQSTWEBAANQXBC-CHHVJCJISA-N 375.406 3.216 10 40 GGCB O[C@]1(c2ccccc2OC(F)F)CN(c2ccccc2)C2=[N+]1CCCS2 27525113 JISPRYIOYPLTGN-IBGZPJMESA-N 377.436 3.459 10 40 GGCB CCCCN1C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)NC1=S 101400724 QDDDTGPZWUPXFL-WQLSENKSSA-N 399.310 3.411 10 40 GGCB C[C@H]1CN(c2ccc(CNC(=O)c3ccc4[nH]cnc4c3)cc2F)C[C@H](C)O1 48356584 ZVQDKPIUTXRFJH-KBPBESRZSA-N 382.439 3.246 10 40 GGCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1 13582955 CDDLFXDKCXDPNN-NJDAHSKKSA-N 386.407 3.443 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 409000079 MKBMERVUZBZWIG-YVLHZVERSA-N 393.395 3.301 10 40 GGCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 33648937 SUEDETBJNDYYLO-LDADJPATSA-N 390.395 3.494 10 40 GGCB COc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)NC2=S)cc1 712449 YGSQWOPGDZUSQA-MHWRWJLKSA-N 377.425 3.008 10 40 GGCB biogenic O=C1NC2(CCCC2)C(=O)N1CCCNCc1ccc(N2CCCCC2)cc1 15184428 FPWPCQDHHMRYPH-UHFFFAOYSA-N 384.524 3.021 10 40 GGCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccnc1 23224600 XZCMTYDGMNFPNT-MMPACVFLSA-N 381.482 3.478 10 40 GGCB O=C1N=C(O)/C(=C\NN2CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 34236590 XBXAOUCTQWGBIO-JLHYYAGUSA-N 382.342 3.003 10 40 GGCB O=S(=O)(c1ccccc1)N1N=C(c2ccncc2)C[C@H]1c1ccccc1O 95116018 NFLRTHQVCLHEEP-IBGZPJMESA-N 379.441 3.327 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@H](C)C2 100642957 FJSHFAUKEQNYEU-HKWCOGSCSA-N 389.473 3.121 10 40 GGCB NC1=NC(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)S1 6584076 KPGLVNVWELOYNI-DHDCSXOGSA-N 387.848 3.287 10 40 GGCB Nc1nnc(CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1 54360586 MSPANJVOZOSNMM-YFHOEESVSA-N 382.923 3.218 10 40 GGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1 54164365 ULOWFTPBKCZZJV-YBEGLDIGSA-N 381.413 3.426 10 40 GGCB O=C1NC(=O)C(=Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)N1 408919827 CZJKBKFUNNRFAO-UHFFFAOYSA-N 379.803 3.092 10 40 GGCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408806977 JPOSIYWJQAXIDJ-XNTDXEJSSA-N 386.791 3.111 10 40 GGCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(C)C 211655742 VFQIDVBMNZUJPN-OVCLIPMQSA-N 395.502 3.406 10 40 GGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OC)c1 5977586 KWQVCHGOOGOSMV-PDGQHHTCSA-N 394.383 3.481 10 40 GGCB Cc1noc(NS(=O)(=O)c2ccc(/N=N/c3ccc(N)nc3N)cc2)c1C 4809188 SHLWUWRQIAACHI-QZQOTICOSA-N 387.425 3.067 10 40 GGCB CCCCCCN1C(=O)NC(=O)/C(=C\c2cnc(-c3ccccc3)nc2)C1=O 3771808 IDXSMVIBXPLIEK-SFQUDFHCSA-N 378.432 3.186 10 40 GGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 5551963 RARZBAJNPDLHIJ-FNWMBBJUSA-N 380.447 3.439 10 40 GGCB CCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1Br 1415642 XFIVOYLUFOZIOH-GXDHUFHOSA-N 397.294 3.150 10 40 GGCB CC[C@@H](C)N1C(=O)/C(=C\N2CCN(Cc3ccccc3)CC2)SC1=S 20648468 CBWOXECVVCPDPC-PWVLXBNSSA-N 375.563 3.304 10 40 GGCB CN1CCCc2cc(CNC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)ccc21 58218209 BEECRWYRSXUMJU-NRFANRHFSA-N 393.487 3.117 10 40 GGCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC 408548379 HFXZATWPYYPSKA-MHWRWJLKSA-N 394.427 3.295 10 40 GGCB O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1cccc([N+](=O)[O-])c1 3077619 AGCLKJKMSANXLA-ZROIWOOFSA-N 385.426 3.141 10 40 GGCB CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 19079358 PYMHDUPUXOJJTC-UHFFFAOYSA-N 390.490 3.477 10 40 GGCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 5501523 YPWLBUPPYWZWNP-LCYFTJDESA-N 396.540 3.151 10 40 GGCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1O 1858222 CGJPHGYUSPLKSY-JYRVWZFOSA-N 376.484 3.294 10 40 GGCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408807289 GWSFTASPBJEHNG-GHRIWEEISA-N 380.400 3.150 10 40 GGCB COc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)c(OC)c1 5373298 UOMSBNHEEXWBFX-NXVVXOECSA-N 381.413 3.109 10 40 GGCB CCCn1c(=O)n(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccc21 21931007 DYNHAHNXRQSMIF-UHFFFAOYSA-N 394.519 3.328 10 40 GGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 100791781 BNNUFBYKHRMADK-XMHGGMMESA-N 392.459 3.107 10 40 GGCB aggregator COC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCC2 2801619 KAUAXXYGEUBGJP-OLZOCXBDSA-N 377.462 3.409 10 40 GGCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc2nonc12 28296895 AAJCGHJZJDKRSL-NTEUORMPSA-N 396.453 3.063 10 40 GGCB CN1C(=O)C(=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)N(C)C1=O 5201208 JWIDKNVWOKMXFR-UHFFFAOYSA-N 384.819 3.353 10 40 GGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(F)cc1Cl 12632244 SIBKMGRGCWSYNL-UHFFFAOYSA-N 392.858 3.353 10 40 GGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3C)C2=O)c1 408533481 SKLTURHKMOQBEU-XNTDXEJSSA-N 394.387 3.099 10 40 GGCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1277067 HYLKCRPPXGVQKM-XFFZJAGNSA-N 386.292 3.213 10 40 GGCB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3O)=NN12 10213921 RGIIZFKPBUHKHM-LJQANCHMSA-N 377.444 3.274 10 40 GGCB COc1ccc(N2CCN(C[C@@H](O)COc3ccc(Cl)cc3C)CC2)cc1 20347312 MNUZSLJPBVCFGF-LJQANCHMSA-N 390.911 3.219 10 40 GGCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408548276 FQLAHPKKXJIQJH-LICLKQGHSA-N 394.427 3.295 10 40 GGCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)o2)C(=O)NC1=S 4739022 VUTWXHUMRWIQTB-QINSGFPZSA-N 381.457 3.020 10 40 GGCB Cc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)n1-c1ccc(F)cc1 5623072 FJALIHCNTJXYHT-UHFFFAOYSA-N 389.427 3.014 10 40 GGCB CN1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)CC1 20357985 MFWRRUUISSOMOX-HKWRFOASSA-N 393.512 3.483 10 40 GGCB Cc1cc(-c2csc(NC3CC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6980285 GCHHYSDECQMGBT-UHFFFAOYSA-N 388.518 3.439 10 40 GGCB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)ccc21 409351171 ZWYSREKVPMKPCU-BOPFTXTBSA-N 395.509 3.278 10 40 GGCB CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 13547142 HUHCHHLUHGIMHK-ATTDUZETSA-N 379.503 3.474 10 40 GGCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S 3532594 VYKVCYQAQFFIGH-PTNGSMBKSA-N 393.486 3.304 10 40 GGCB Cc1c(CC(=O)N[C@H](C)CCc2ccccc2)c(=O)oc2c(O)c(O)ccc12 4090144 JMOUQWBSIZPIJO-CYBMUJFWSA-N 381.428 3.193 10 40 GGCB biogenic O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 13668237 OKYTTZPHVLHSJF-UHFFFAOYSA-N 375.450 3.064 10 40 GGCB O=C(O)[C@H]1CCCN1Cc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12 4025600 CUDSZBUCKSGWDD-MRXNPFEDSA-N 381.384 3.340 10 40 GGCB biogenic CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1 5373216 KRSXNPXIJQKMEV-MFOYZWKCSA-N 381.413 3.456 10 40 GGCB N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(c3ccco3)=NN12 5398038 UARFBVIJVRZJPS-JLZHIMPBSA-N 390.380 3.053 10 40 GGCB CC1(C)OC(=O)C(=CNc2nc3ccc(Br)cc3s2)C(=O)O1 13999629 HHYHGDUHCWARMZ-UHFFFAOYSA-N 383.223 3.191 10 40 GGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)o1 408820442 WCCMMVNVMKEUIH-RVDMUPIBSA-N 387.823 3.446 10 40 GGCB COc1ccc(/C=C2/C(=O)N(CCc3ccc(F)cc3)C(=O)N=C2O)cc1OC 1241293 HIOQLJQHWLEQRE-LFIBNONCSA-N 398.390 3.388 10 40 GGCB COc1ccc(N2CCN(C[C@H](O)COCC[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 104492555 KTLXAERMSRLXKX-JBPLPALLSA-N 388.552 3.021 10 40 GGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 408893915 OJQIBYJLHNVDED-PDGQHHTCSA-N 394.383 3.481 10 40 GGCB COc1ccc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)n3)c2C)cc1 7654908 XHSJYUNUFKWACV-UHFFFAOYSA-N 383.477 3.032 10 40 GGCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 52636418 GBWSXVLFJRFMMX-QGZVFWFLSA-N 379.504 3.333 10 40 GGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1n[nH]c(=O)c2ccccc12 10962242 DNVWXOSNUSRHNY-UHFFFAOYSA-N 376.460 3.186 10 40 GGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 4456081 ITORUNOZRUDVHM-SSZFMOIBSA-N 381.457 3.101 10 40 GGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCCCO4)CC2)cc1 8028564 FCLQPSLHXNEMPN-ONNFQVAWSA-N 394.471 3.219 10 40 GGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC(C)C)c1 408811686 WBCVYZHZVKQFFT-WOJGMQOQSA-N 394.427 3.457 10 40 GGCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 409096641 LPZISHJYOIRGIM-CXUHLZMHSA-N 392.452 3.414 10 40 GGCB Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 22733430 FUUVNISCQAQWLS-HSZRJFAPSA-N 393.531 3.099 10 40 GGCB CCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 100805534 FJDLKGQIFWRIDC-OTWHNJEPSA-N 399.878 3.272 10 40 GGCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13370377 VFMOZGCPYRHWGL-LFIBNONCSA-N 385.401 3.157 10 40 GGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 33321594 XQSYBOHEKSCZQD-VBKFSLOCSA-N 375.340 3.316 10 40 GGCB CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC)C2=O)cc1OC 27563142 XGFJSDLZFXLWPY-GDNBJRDFSA-N 395.502 3.248 10 40 GGCB O=[N+]([O-])c1ccc(-c2csc(NNS(=O)(=O)c3ccccc3)n2)cc1 3768014 MXHBDGAMJFBSGE-UHFFFAOYSA-N 376.419 3.024 10 40 GGCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)o1 13776840 GHEIYMCHKYOGBD-BOPFTXTBSA-N 399.428 3.466 10 40 GGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Br)s2)C1=O 4739688 LLEMTDPJGZRGPB-DHZHZOJOSA-N 391.246 3.485 10 40 GGCB COc1ccc(N2CCN(C(=O)COc3ccc4c(c3)CCCC4)CC2)cc1 223357412 LLSAUIRKPMJUHA-UHFFFAOYSA-N 380.488 3.302 10 40 GGCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1277041 KPDNVUCBWCUKTF-KSRYWAHESA-N 386.838 3.011 10 40 GGCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 5373686 JKQCHIAYAZVAJN-OIQXIXSWSA-N 395.502 3.404 10 40 GGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 9484592 ZQNVGQATEPSXGF-UJMHRVFCSA-N 375.471 3.316 10 40 GGCB COc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2)c1 669363 IBBJQYVSFWMWEC-FQEVSTJZSA-N 389.411 3.312 10 40 GGCB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)cc1 54285084 HQXQDIXVWVTXDB-UHFFFAOYSA-N 394.393 3.237 10 40 GGCB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 409082827 UBWHQVGVQRUHSI-CYVLTUHYSA-N 385.533 3.256 10 40 GGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 409045179 FNXVFGGPPZIDKX-VZUCSPMQSA-N 393.182 3.071 10 40 GGCB O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)ccc21 36627572 HJZRZERQJCDCQX-DLBZAZTESA-N 377.396 3.292 10 40 GGCB COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3F)C3CC3)CC2)cc1 10056575 YZKZETDLPJVUHP-UHFFFAOYSA-N 397.494 3.148 10 40 GGCB Cc1cc(C)c2nc3s/c(=C\c4ccc(N(C)C)c([N+](=O)[O-])c4)c(=O)n3c2c1 4046610 QMDSCPOCANKCCE-YVLHZVERSA-N 394.456 3.048 10 40 GGCB CCCCCCN1C(=O)NC(=O)/C(=C\c2cc3c4c(c2)C[C@H](C)N4CCC3)C1=O 6240729 DZCSDKRNIDZRLK-FHHIAAGZSA-N 395.503 3.426 10 40 GGCB CN1C(=O)/C(=C\c2ccc(Br)o2)C(=O)N(c2ccccc2)C1=O 408850626 PTFCAZZEAZKBIW-FMIVXFBMSA-N 375.178 3.051 10 40 GGCB CN1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)CC1 23109648 SEUIEHXMIMPYRZ-SFQUDFHCSA-N 398.444 3.073 10 40 GGCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 102345394 ZUFOPSLTHQYKTE-GVARAGBVSA-N 389.473 3.265 10 40 GGCB CC(C)COC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 2325846 VPHIXWBWRXDNHM-YADHBBJMSA-N 385.460 3.402 10 40 GGCB CCOC(=O)CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 7180668 YBCNBSIFKDKQSS-UHFFFAOYSA-N 375.446 3.302 10 40 GGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 54360853 ROGUVRMFTXAKFO-IZNAZMGOSA-N 390.530 3.379 10 40 GGCB Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1 95986249 BPSCPXPAGBEMDH-UHFFFAOYSA-N 383.857 3.101 10 40 GGCB Cc1cccc(N2C(=O)/C(=C/N3CCCc4ccccc43)C(=O)NC2=S)c1 98086655 TWSPIBBFEHONPT-GHRIWEEISA-N 377.469 3.079 10 40 GGCB CCN(CC)c1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c(O)c1 17139140 AEPIAYPXCREJCK-BOPFTXTBSA-N 397.406 3.248 10 40 GGCB O=C(O)c1cc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)ccc1O 5235972 AQMBTXIHCVMUED-ZSOIEALJSA-N 397.437 3.373 10 40 GGCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c1C 33311687 FHELCOYFNMZHMB-FMVWKBIMSA-N 379.445 3.352 10 40 GGCB COC(=O)c1ccc(C)c(NC(=S)NCCN(C)c2ccc(OC)cc2)c1 225798197 AHVYOXVAQYOJPX-UHFFFAOYSA-N 387.505 3.213 10 40 GGCB