smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)c1ccc(/C=C/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 2918511 ZGXMJXAEZNZXIR-FKKWJZCKSA-N 384.888 5.203 10 50 GKCA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 4854140 YKVWVXBPVGBHDJ-UKILVPOCSA-N 399.494 5.004 10 50 GKCA Cc1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)c1C 1151639 TYQOBDGIZTWECV-UHFFFAOYSA-N 398.300 5.541 10 50 GKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)SC2=S)cc1 4512553 BKGZJWRANKZDHV-CPNJWEJPSA-N 393.489 5.361 10 50 GKCA CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 4333770 HMHOIRIIIQAKTE-QHCPKHFHSA-N 386.455 5.017 10 50 GKCA CCCCCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 5502047 RCWWKGADCAWOPK-CAPFRKAQSA-N 397.565 6.260 10 50 GKCA O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccccc1 13801193 HKRNLULTEQRRGK-MDWZMJQESA-N 382.293 5.105 10 50 GKCA COc1ccc(/C(C)=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 16213018 GROPBDSANLZYTD-RGEXLXHISA-N 399.537 5.117 10 50 GKCA COc1ccccc1N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1136407 ZDYWSJOORJQUMO-UYRXBGFRSA-N 377.490 5.254 10 50 GKCA Cc1c(C(=O)O)ccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 111479044 ZFLZNXTWCFTHTD-GPMSIDNRSA-N 384.273 5.282 10 50 GKCA Cc1ccccc1C(=O)Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 248170286 VOJDALBZNZGDGH-IZZBFERCSA-N 382.507 5.400 10 50 GKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 4854247 YHLQJXGGGBAWOX-UZLBHIALSA-N 382.872 5.349 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4309897 CUZQOORVLPUEMQ-STXHMFSFSA-N 388.294 5.997 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(cc(Cl)cc3C(F)(F)F)[C@@H]3C=CC[C@H]32)cc1 101684784 ZHIACMRMDZGQIZ-CPUCHLNUSA-N 394.780 6.094 10 50 GKCA CC(C)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(C(C)C)c1O 1155965 NVGWZPDNAMKNLU-UHFFFAOYSA-N 383.513 5.593 10 50 GKCA C/C(=C1/SC(=S)N(c2ccc3ccccc3c2)C1=O)c1cccc(O)c1 1164228 CWRPYMOSMZIGAF-UYRXBGFRSA-N 377.490 5.341 10 50 GKCA O=C1NC(=S)S/C1=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1180750 KSCYEBSZWSPKGR-OVCLIPMQSA-N 396.320 5.061 10 50 GKCA Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(O)c(O)c2)nc1-c1ccccc1 13121796 XVQQUFMIWRVXHL-UHFFFAOYSA-N 387.395 5.039 10 50 GKCA CC(C)(C)c1ccc(Oc2cc(O)c3c4c(onc24)-c2ccccc2C3=O)cc1 4808850 QZMAVHXTWNPZAD-UHFFFAOYSA-N 385.419 5.835 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@H]21 12468641 QYSMKNMMLMUFOC-CZIZLABSSA-N 384.228 6.839 10 50 GKCA CCN1C=C/C(=C/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 30738273 KVYUQKQIYKVUJE-BLGUCIKASA-N 390.533 5.372 10 50 GKCA C[S@](=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 1875388142 OWWSWRROIQAZBP-FZNWAUAHSA-N 378.324 5.557 10 50 GKCA Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 25558806 QFGWWMOKECHORR-DENIHFKCSA-N 376.843 5.288 10 50 GKCA CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 2906338 YQPWIHLPKCORMM-VWLOTQADSA-N 393.490 5.677 10 50 GKCA Cc1ccc(C)c(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)c1 4662953 ZYDAZODOIRMFBV-UHFFFAOYSA-N 398.300 5.541 10 50 GKCA CC(C)Oc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2470463 LIQUBTUWBFWXRU-JOCHJYFZSA-N 385.467 5.324 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 4321238 PDLUKLWQHFTIHW-UWVAXJGDSA-N 398.300 5.452 10 50 GKCA COc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4820352 VPXXBEOUQOEFIN-RLSLOFABSA-N 398.462 6.097 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc1 169685080 WEMYZEARRRTUNJ-IGCXYCKISA-N 394.780 6.094 10 50 GKCA CCN(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 3999253 KLOPJCYKQLMTCP-SANMLTNESA-N 394.603 5.492 10 50 GKCA biogenic O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1ccccc1 13549366 RYDLPHGSZZRKCE-LDADJPATSA-N 397.908 6.006 10 50 GKCA CCCc1sc(NCc2cccc(OC)c2O)nc1-c1cc(C)ccc1C 2846197 XDNPAMHBPXRMCO-UHFFFAOYSA-N 382.529 5.706 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 4409817 OGNWNODEOFEKSY-ARGWCVDVSA-N 388.294 5.997 10 50 GKCA CN(C)c1ccc([C@H]2CC(c3ccccc3)=Nc3nc(-c4ccccc4)cn32)cc1 5072420 QRZLLWWAWLALDP-RUZDIDTESA-N 392.506 5.730 10 50 GKCA aggregator Cc1cccc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1O 67919632 OLTXQZYHAUIROI-UHFFFAOYSA-N 395.886 5.121 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 169616982 OGNWNODEOFEKSY-CKNLXJGOSA-N 388.294 5.997 10 50 GKCA CN(C)c1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 722580 XGNPSDOEJHRFMB-UHFFFAOYSA-N 397.434 5.559 10 50 GKCA COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1 4178223 BFPBMCYGOUABQS-QFIPXVFZSA-N 385.467 5.162 10 50 GKCA O=C(N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc12)c1ccccc1 2870198 BNRCZVOWWUGACK-QHCPKHFHSA-N 387.866 5.718 10 50 GKCA Cc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1 1133747 HSIVQZUPBATKJE-GEYIUBJWSA-N 393.533 5.104 10 50 GKCA CC1CCN(C2=NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)CC1 1123542 ISCJFIQFIOCKSI-HKWRFOASSA-N 378.497 5.181 10 50 GKCA Cc1cccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)c1 1160421 OMAKSGXBRTWASJ-ZSOIEALJSA-N 396.320 5.413 10 50 GKCA O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1Cc1ccco1 2322581 IELJGUNUUGIEHZ-UYRXBGFRSA-N 393.489 5.473 10 50 GKCA CCc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1 2838753 VMJSGPIXIRITKR-QHCPKHFHSA-N 383.495 5.716 10 50 GKCA CSc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 1171678 HXUCONQSWLUJMR-NRFANRHFSA-N 387.508 5.567 10 50 GKCA CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(Cl)cc2Cl)cc1 4347698 OWQGLXNOGWDKFS-UHFFFAOYSA-N 399.365 6.306 10 50 GKCA Cc1cccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1C 1788083 WRCCIAVQVCOQAN-MOSHPQCFSA-N 375.518 5.862 10 50 GKCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3c(F)cccc3Cl)c(O)c2n1 4151019 PRABZMUPZPFTLS-OAQYLSRUSA-N 393.849 5.638 10 50 GKCA CC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O 869269 DUICHCGSDFOJKH-MRXNPFEDSA-N 395.673 5.126 10 50 GKCA O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1CCc1ccccc1 4892203 WXMDDKSTRAZFRW-HMMYKYKNSA-N 391.517 5.391 10 50 GKCA COc1ccc2c(c1)S[C@H](c1ccccc1OC)CCN2Cc1ccoc1 299780067 QQHVVTCBXQFXMY-NRFANRHFSA-N 381.497 5.541 10 50 GKCA O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1C1CCCCC1 16429552 KSNGESLVABHGDP-PDGQHHTCSA-N 387.501 5.620 10 50 GKCA Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 4854857 XGVGBWLRNCTBIB-YZVOILCLSA-N 385.261 5.492 10 50 GKCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1cccc(F)c1 14009225 OORCLYAJOCCRGA-JCMHNJIXSA-N 386.426 5.211 10 50 GKCA COc1ccccc1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 943240 QEGFNJKRANLPDR-XMMPIXPASA-N 383.447 5.073 10 50 GKCA Oc1c([C@@H](Nc2ccccn2)c2c(F)cccc2Cl)ccc2cccnc12 5590468 YROVRAVZEVZWSW-HXUWFJFHSA-N 379.822 5.329 10 50 GKCA CCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1O 2999692 JVNFXWFWVXMXML-HXUWFJFHSA-N 388.294 5.858 10 50 GKCA COc1ccc(N/C=C/C=C/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 6296195 ZCMQIDXMYSXPMM-OVMIIKJRSA-N 394.521 5.126 10 50 GKCA O=C1c2ccccc2C(=O)C1(Br)C(c1ccccc1)c1ccccc1 864651 DOYZBIYMJROHQD-UHFFFAOYSA-N 391.264 5.031 10 50 GKCA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 2696763 BPHPKWBWVYSXFD-YYTPVVGHSA-N 378.519 5.012 10 50 GKCA CN(C)c1ccc2c(c1Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1C2=O 4981514 FFZSSHPEBOWEQK-UHFFFAOYSA-N 399.490 5.618 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 229993488 WEMYZEARRRTUNJ-XNJGSVPQSA-N 394.780 6.094 10 50 GKCA O=[N+]([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@@H]21 245231306 BIBYXMCNCDHNPI-QKZKXAEISA-N 388.442 5.628 10 50 GKCA Oc1ccc2ccccc2c1[C@H](c1ccc(Br)cc1)N1CCCCC1 2074786 BOFXEAJNXZDDLI-QFIPXVFZSA-N 396.328 5.883 10 50 GKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5050199 SQNOBOMKOZLJSM-UJFYRASASA-N 394.348 5.956 10 50 GKCA COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1ccc(O)cc1 14884866 YUQMYNSVGPJHPN-QFIPXVFZSA-N 395.499 5.784 10 50 GKCA Cc1ccnc(N[C@H](c2ccc3cccnc3c2O)c2c(C)cc(C)cc2C)c1 2882453 AIYGOCRMUXRJCZ-XMMPIXPASA-N 383.495 5.771 10 50 GKCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(Cl)cc1Cl 16193150 LXJXHISHOMAWCR-AUWJEWJLSA-N 384.284 5.538 10 50 GKCA COc1cc(Br)cc(CNc2ccc(C3CCCCC3)cc2)c1O 2544796 PSWPQJDZLHZLPF-UHFFFAOYSA-N 390.321 5.823 10 50 GKCA CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 2906339 YQPWIHLPKCORMM-RUZDIDTESA-N 393.490 5.677 10 50 GKCA Oc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 20915599 DHMKCUQFXXGDNO-FQEVSTJZSA-N 383.495 5.315 10 50 GKCA CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)/N=N/C(=O)O[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 104291190 MNVJPRUQXCFARA-IMMNKETDSA-N 390.524 6.141 10 50 GKCA CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccc(N)cc1)c1cccc(N)c1 1766444 ZNFVEGXOOKOIMO-IBGZPJMESA-N 377.425 5.005 10 50 GKCA CCOc1cccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)c1O 22078074 NNFZUWJUMIISIS-QFIPXVFZSA-N 390.527 5.337 10 50 GKCA NC(=O)c1cc([N+](=O)[O-])cc2c1C=Cc1cc(/N=N/c3ccccc3)ccc1O2 4698281 OPQOIOXZJXENQX-WCWDXBQESA-N 386.367 5.385 10 50 GKCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4844837 UWUHWCGACIAOIT-DXIQSLLYSA-N 392.455 5.234 10 50 GKCA CN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC1=S 5102883 HKNLBXZUHQGCQP-DEDYPNTBSA-N 391.517 5.250 10 50 GKCA COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)c2ccccc12 217846001 CVNBWHORCCGMNP-UHFFFAOYSA-N 397.390 5.097 10 50 GKCA biogenic Cc1ccccc1C(=O)Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 169616541 VOJDALBZNZGDGH-UYWIDEMCSA-N 382.507 5.400 10 50 GKCA Cc1cccc(COc2ccc(/C=C3\SC(=S)N(CC(C)C)C3=O)cc2)c1 2821314 SYHJYKPKJZGLCE-NDENLUEZSA-N 397.565 5.431 10 50 GKCA CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc2ccccc12 13800594 QVIZVOMBBJBPPZ-KQWNVCNZSA-N 397.474 5.416 10 50 GKCA CCN(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 3999254 KLOPJCYKQLMTCP-AREMUKBSSA-N 394.603 5.492 10 50 GKCA biogenic c1ccc(C(c2ccccc2)c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 4623055 BKAWNLDCEUQWRP-UHFFFAOYSA-N 377.447 5.708 10 50 GKCA CCCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 4819253 SQXYBTNEODCSSZ-LDADJPATSA-N 398.890 5.334 10 50 GKCA O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 59267170 GWTIDZVWFXMAEX-KEYYUXOJSA-N 389.224 5.323 10 50 GKCA COC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 1175599 MAPLJDVVHBOMAU-GJYPPUQNSA-N 384.273 5.062 10 50 GKCA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Cl)ccc2O)cc1 248124035 ZCRGQXPTRRDJRR-REWPJTCUSA-N 390.870 5.596 10 50 GKCA Oc1c([C@@H](Nc2ccccn2)c2ccccc2F)cc(Cl)c2cccnc12 5065549 CWNKFDCPRPBCRF-IBGZPJMESA-N 379.822 5.329 10 50 GKCA Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 15799828 OWWZYTNWUQGJAH-NDENLUEZSA-N 392.455 5.474 10 50 GKCA Cn1nc(-c2ccccc2)c2ccc(C(=O)C(F)(F)F)c-2c1-c1ccccc1 22014410 VXNOKNUBLSKCLA-UHFFFAOYSA-N 380.369 5.604 10 50 GKCA biogenic CCN1C(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC1=S 4482177 LFVUQSWNBYLLID-LFIBNONCSA-N 391.970 5.712 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1 229954890 FQCUSEMHJCASRV-RKVPGOIHSA-N 376.334 5.320 10 50 GKCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 12382323 PCSFGONBZQAHOM-XQBPLPMBSA-N 392.455 5.234 10 50 GKCA Cc1ccc(NC2=NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)S2)cc1Cl 5061496 SCRMGBAEPVBBMR-ZDLGFXPLSA-N 381.888 5.521 10 50 GKCA Cc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1 1147597 LTGRDJRSQACSKB-UHFFFAOYSA-N 384.273 5.232 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21 169620816 ZXYAQJUUELYZIL-BWACUDIHSA-N 394.234 6.294 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 4427870 KPJBPVNCPOHPDZ-DCGLDWPTSA-N 394.780 6.094 10 50 GKCA COc1cc2c(cc1NCc1ccc(OC)c(OC)c1OC)oc1ccccc12 5061031 UAWNAFDRWWGTRW-UHFFFAOYSA-N 393.439 5.233 10 50 GKCA biogenic Cc1ccc(Nc2cc(NCC(C)C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 4707940 PEFCZYKOEDUJNI-UHFFFAOYSA-N 397.478 6.159 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@@H]21 4828168 OETMSCHDQYEHFZ-CKFHNAJUSA-N 390.708 5.938 10 50 GKCA CCCCN(CCCC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12 19791531 OAMWVTCYVARHIB-UHFFFAOYSA-N 379.500 5.568 10 50 GKCA CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 4371934 CZGLGEGNYDKASX-KNKQGSTJSA-N 380.919 5.649 10 50 GKCA Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1 206031716 NEEGNYKRJDHJNX-UHFFFAOYSA-N 392.518 5.547 10 50 GKCA in-vitro CCN1C(=O)/C(=C/c2cc(C)ccc2OCc2ccccc2C)SC1=S 1165264 WGCDUOGVJFLIGQ-UNOMPAQXSA-N 383.538 5.104 10 50 GKCA COc1ccc(Cl)c2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 4721951 OZJSNVHPBLWZER-SUNYJGFJSA-N 390.708 5.938 10 50 GKCA COc1ccc(Cl)c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 4721952 OZJSNVHPBLWZER-PMUMKWKESA-N 390.708 5.938 10 50 GKCA Cc1ccnc(N[C@@H](c2ccc3cccnc3c2O)c2c(C)cc(C)cc2C)c1 2882452 AIYGOCRMUXRJCZ-DEOSSOPVSA-N 383.495 5.771 10 50 GKCA CC(C)C[C@H](C)Nc1ccc(Nc2ccccc2)cc1Sc1ncccn1 5844933 LEQBGZRWYLHIDT-KRWDZBQOSA-N 378.545 6.218 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 111441979 ONRURSMNXRQIMR-SIFCLUCFSA-N 387.401 5.709 10 50 GKCA CCc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2991985 FAFUGNBLPWTRGN-MHWRWJLKSA-N 393.455 5.674 10 50 GKCA O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Cl)cc1 16156532 HMIFKCLQWMDXBO-ZROIWOOFSA-N 399.846 5.765 10 50 GKCA CC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4)coc23)CC1 19787296 AHFGBDXCYPJGGJ-UHFFFAOYSA-N 383.875 5.051 10 50 GKCA biogenic COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 3462268 ANKVLZGQTQLFGB-NVNXTCNLSA-N 396.320 5.408 10 50 GKCA Cc1ccc2cc(C3=C/C(=C\c4c(Cl)cccc4Cl)C(=O)O3)ccc2c1 5022559 XTFPHNRTBPOFFN-GZTJUZNOSA-N 381.258 6.436 10 50 GKCA CCOC(=O)C1=CS/C(=C2/C(=S)C(C)(C)Nc3ccc(C)cc32)S1 849808 JBWZSYAGUVYCOD-VKAVYKQESA-N 377.556 5.122 10 50 GKCA Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 1173583 ZVQFYCXQEACYNS-UHFFFAOYSA-N 384.273 5.248 10 50 GKCA c1ccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c34)N2)cc1 1797798 HJNACZXQRCDPCK-UHFFFAOYSA-N 388.474 6.229 10 50 GKCA Oc1c([C@@H](Nc2ccccn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc12 2838988 DYTPMUBPFQYPBO-IBGZPJMESA-N 396.277 5.844 10 50 GKCA C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12 19791529 NCXXDDQPOLAHET-CQSZACIVSA-N 383.875 5.193 10 50 GKCA biogenic O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N3C[C@H]1CC=C[C@H]21 245238648 XPWUMPZXMZMOQI-AFEXYSGWSA-N 387.454 5.418 10 50 GKCA Cc1ccccc1/N=N/c1ccc(NC(=O)COc2ccc(Cl)cc2)c(C)c1 5549004 DDCFOJKWVPCLAP-OCEACIFDSA-N 393.874 6.390 10 50 GKCA O=S(=O)(O)c1ccc2c(/N=N/c3cccc4ccccc34)ccc(O)c2c1 4823205 XNNSIOFRQQWHJA-QURGRASLSA-N 378.409 5.361 10 50 GKCA COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCC(C)C 4834284 TZVNACLXZXIOLH-YBFXNURJSA-N 398.890 5.190 10 50 GKCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(C(C)C)cc3)c(O)c2n1 3003781 QDVOKVIYOIYLAM-HSZRJFAPSA-N 383.495 5.969 10 50 GKCA CCc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1 2838754 VMJSGPIXIRITKR-HSZRJFAPSA-N 383.495 5.716 10 50 GKCA O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@@H]21 245238627 WYWUKAZFKPOTPP-LOODEUFTSA-N 389.926 6.381 10 50 GKCA CCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O 869233 VUZPLTKIMHSUFJ-LJQANCHMSA-N 389.282 5.253 10 50 GKCA O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1CCc1ccccc1 5050451 NLPVAYPABICZAQ-HMMYKYKNSA-N 375.518 5.284 10 50 GKCA COc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 5738805 VPXXBEOUQOEFIN-RNHFSVANSA-N 398.462 6.097 10 50 GKCA COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1 4178224 BFPBMCYGOUABQS-JOCHJYFZSA-N 385.467 5.162 10 50 GKCA CCCCN(Cc1ccccc1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 2893961 OTPIQWGABDQMJC-UHFFFAOYSA-N 381.604 6.790 10 50 GKCA Cc1cccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)c1 4724718 JBKKQSRGVMPENO-XNTDXEJSSA-N 379.428 5.420 10 50 GKCA Nc1ccc(Oc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 826727 UEGAZOOLTJULBA-UHFFFAOYSA-N 391.434 5.128 10 50 GKCA COc1ccc(Cl)c2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 17312713 YNCGFOQAHMGLRL-FMTVUPSXSA-N 390.708 5.938 10 50 GKCA CC(C)(C)c1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2745422 RWFNQAOHQVYJRV-JOCHJYFZSA-N 383.495 5.834 10 50 GKCA Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 101119270 VQOBDUXIBFXMEA-QVCLANMBSA-N 384.479 5.798 10 50 GKCA COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 1175627 CXMWFHQRSZTHFO-CPNJWEJPSA-N 377.490 5.254 10 50 GKCA CC(C)[C@H]1C[C@](CCNCc2ccc(N(C)C)cc2)(c2ccccc2)CCO1 3999658 MFJHMTFOCRVPES-JWQCQUIFSA-N 380.576 5.005 10 50 GKCA biogenic Cc1ccc(N=Nc2ccc(C)cc2NC(=O)c2cccc3ccccc23)cc1 254484012 RNYVXTDZJNESKA-UHFFFAOYSA-N 379.463 7.124 10 50 GKCA Cc1ccc(C)c([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)c1 2868405 JWBUCSUIVCHQRM-NRFANRHFSA-N 389.886 5.807 10 50 GKCA CCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O 869232 VUZPLTKIMHSUFJ-IBGZPJMESA-N 389.282 5.253 10 50 GKCA O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(Cl)cc1 1782190 QNBCEZYIHVVQIB-QHCPKHFHSA-N 387.866 5.718 10 50 GKCA CN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)Cc1cccc2ccccc12 4985731 WLAYEVQRQBPQKO-UHFFFAOYSA-N 389.583 6.772 10 50 GKCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N3C[C@H]1CCCC[C@@H]21 252427944 LGARIUWONWUFPT-RQKICWOHSA-N 385.507 5.893 10 50 GKCA COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1c[nH]c(C)n1 12246498 PRRQYLOIEKNIGA-FQEVSTJZSA-N 383.492 5.110 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 169616983 OGNWNODEOFEKSY-JZKQVHKSSA-N 388.294 5.997 10 50 GKCA O=[N+]([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 245231310 BIBYXMCNCDHNPI-YBVJTHMASA-N 388.442 5.628 10 50 GKCA O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@H]21 245238626 WYWUKAZFKPOTPP-KNLNXMFASA-N 389.926 6.381 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1 4427868 KPJBPVNCPOHPDZ-AHIWAGSCSA-N 394.780 6.094 10 50 GKCA O=C(O)c1cc2ccccc2c(/N=N/c2cc(C(F)(F)F)ccc2Cl)c1O 4776848 LFUPHTJXWMRCJO-WCWDXBQESA-N 394.736 6.331 10 50 GKCA CC[C@]1(C)C[C@@](CCNCc2ccc(N(C)C)cc2)(c2ccc(C)cc2)CCO1 4817569 HJQBQTWMUGNATN-FTJBHMTQSA-N 394.603 5.458 10 50 GKCA biogenic COc1ccc2c(c1)c(=O)oc1cc(OCc3ccc4ccccc4c3)ccc12 1164227 RYMNPMUGCPGTHL-UHFFFAOYSA-N 382.415 5.687 10 50 GKCA CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1 2834248 HKGVFHKMOBAOEG-HSZRJFAPSA-N 399.494 5.552 10 50 GKCA CC[C@]1(C)C[C@](CCNCc2ccc(N(C)C)cc2)(c2ccc(F)cc2)CCO1 4794801 ZPMLWCNMSTVVDE-JWQCQUIFSA-N 398.566 5.289 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 4321283 NCRCCPRHMJZJEF-MSBWEVJISA-N 388.442 5.628 10 50 GKCA CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 169697172 URLGHWPDUVWLJC-XQBPLPMBSA-N 392.455 5.378 10 50 GKCA Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 844619 XGVGBWLRNCTBIB-QMTMVMCOSA-N 385.261 5.492 10 50 GKCA O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1Nc1ccccc1 1902567 RZURXWTWXDLPAH-ZSOIEALJSA-N 381.309 5.222 10 50 GKCA COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1ccc2ccccc2c1O 2997759 XRNVRLBZCFLYOT-HSZRJFAPSA-N 389.495 5.340 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 4759839 ZLKQTLDMIYDCCR-HLIPFELVSA-N 398.300 5.452 10 50 GKCA Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 4151450 RBTZKNTVSHUSBV-YZVOILCLSA-N 385.261 5.492 10 50 GKCA CN1CCCc2cc(/N=N/c3ccc([N+](=O)[O-])c4ccccc34)c3ccccc3c21 4773284 NJQLXFXTJUOPOE-OCEACIFDSA-N 396.450 6.699 10 50 GKCA Cc1cccc(COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2Cl)c1 32670981 ZJGZYXUOYWVNES-YVLHZVERSA-N 389.929 5.058 10 50 GKCA CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12 19789594 LBDVSYMOKHTHGD-QGZVFWFLSA-N 397.902 5.584 10 50 GKCA biogenic Oc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 25558802 QFGWWMOKECHORR-KNQAVFIVSA-N 376.843 5.288 10 50 GKCA O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(Nc4ccccc4)c1c23 2030148 YKXKCSGQXHPKTG-UHFFFAOYSA-N 395.462 5.773 10 50 GKCA C/C(=C1/SC(=S)N(c2cccc(C)c2C)C1=O)c1cccc([N+](=O)[O-])c1 2700416 BLIWOJMJYOAHAS-LGMDPLHJSA-N 384.482 5.008 10 50 GKCA Cc1ccc([C@H](NC(=O)CCc2ccccc2)c2c(O)ccc3ccccc23)cc1 2817155 YKPNZUGHNROUQU-MHZLTWQESA-N 395.502 5.692 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1c[nH]c(C)n1 12246499 PRRQYLOIEKNIGA-HXUWFJFHSA-N 383.492 5.110 10 50 GKCA CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S 5090883 PUYDUQYDVIAWJI-YBFXNURJSA-N 396.512 5.050 10 50 GKCA Cc1cc(C(=O)Nc2ccccc2-c2nncn2C(C)C)c(C)n1-c1ccccc1 175517143 QFUKNMNWUBMQPI-UHFFFAOYSA-N 399.498 5.186 10 50 GKCA O=S(=O)(O)c1ccc2cccc(/N=N/c3ccc(O)c4ccccc34)c2c1 4826565 BSCYICKDCDCJEG-QURGRASLSA-N 378.409 5.361 10 50 GKCA CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 16267498 ZYJOJWIYLOUXIG-SXGWCWSVSA-N 393.892 5.284 10 50 GKCA CCN1/C(=C/c2sc3ccc(OC)cc3[n+]2CC)C=Cc2cc(C)ccc21 3121966 PUEMQYFVCQNTAA-UHFFFAOYSA-N 377.533 5.420 10 50 GKCA Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 15231394 RBTZKNTVSHUSBV-SPYBWZPUSA-N 385.261 5.492 10 50 GKCA Cc1ccccc1/N=N/c1ccc(NC(=O)c2cc3ccccc3oc2=O)c(C)c1 4833407 PMMREISLBSXYJW-CYYJNZCTSA-N 397.434 6.078 10 50 GKCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 13615517 AQNGEGAZQNCRRW-FMTVUPSXSA-N 391.254 5.737 10 50 GKCA O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@H]21 245238628 WYWUKAZFKPOTPP-YPHICONVSA-N 389.926 6.381 10 50 GKCA COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc12 1201819 RBYKJSUGXLEELL-DEDYPNTBSA-N 391.517 5.250 10 50 GKCA O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 2240787 AQIKGGZSRMYXPM-KAMYIIQDSA-N 393.782 5.490 10 50 GKCA Cc1cccc(N[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)n1 5102331 ALVSIURCXDRPIW-HXUWFJFHSA-N 375.859 5.499 10 50 GKCA CCN1C(=O)/C(=C\C=C/C=C/C=C2/N(C)c3ccccc3C2(C)C)SC1=S 1775984647 KWZMSVVRQQAYIC-HNWWGINISA-N 396.581 5.174 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 169617602 PDLUKLWQHFTIHW-MBOZVWFJSA-N 398.300 5.452 10 50 GKCA CCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 2678078 VRPNPZFORCXXLE-RGEXLXHISA-N 383.538 5.267 10 50 GKCA CCCCCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S 5502029 HIYIUJZUHBWSST-OBGWFSINSA-N 376.591 5.314 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@H]21 16293388 DABIPKHAFYILJH-SNUQEOBHSA-N 392.243 5.562 10 50 GKCA CN(C)c1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 100717338 KGOSHUPKXBWGJB-DEOSSOPVSA-N 393.494 5.067 10 50 GKCA O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(F)cc1 4746799 NNBKJOKHMFAOCR-RIYZIHGNSA-N 384.284 5.538 10 50 GKCA CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN2CCCCC2)c1 1641563 MENNADYZPJFLRS-RPWUZVMVSA-N 381.560 6.074 10 50 GKCA CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 5018426 NPRIICUXSQMZFT-RIYZIHGNSA-N 384.309 5.475 10 50 GKCA COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1nc(C)c[nH]1 12151471 RMFVDKXMPSTABY-IBGZPJMESA-N 383.492 5.110 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@H]21 4828160 OETMSCHDQYEHFZ-IQUTYRLHSA-N 390.708 5.938 10 50 GKCA CCc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 2868280 AYLNNOFJYOLIGI-NRFANRHFSA-N 389.886 5.753 10 50 GKCA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 13616515 YKVWVXBPVGBHDJ-ILBGXUMGSA-N 399.494 5.004 10 50 GKCA COc1ccc([C@H](NC(=O)C2CCCCC2)c2c(O)ccc3ccccc23)cc1 2997990 AOKXVRMFXRYFGO-DEOSSOPVSA-N 389.495 5.340 10 50 GKCA aggregator O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1 4081964 FQCUSEMHJCASRV-DAYGRLMNSA-N 376.334 5.320 10 50 GKCA O=C(c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCCC1 4697729 JXNBZTDKFHMHGY-UHFFFAOYSA-N 391.474 5.716 10 50 GKCA CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 18847040 GPKJTRJOBQGKQK-MRXNPFEDSA-N 399.966 5.972 10 50 GKCA biogenic,world Nc1ccc(/N=N/c2cccc3cccc(S(=O)(=O)O)c23)c2ccccc12 71767001 JVDNRLUNEMXZOM-GHVJWSGMSA-N 377.425 5.237 10 50 GKCA O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(Cl)c(C(F)(F)F)c1 678201 XOKRNWGMHPTGCF-UHFFFAOYSA-N 393.792 5.834 10 50 GKCA O=C(c1ccccc1)[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)O 771808 BSSGORVBEHMAOO-BJKOFHAPSA-N 382.459 5.591 10 50 GKCA Cc1ccc2cc(C3=C/C(=C/c4ccc(Br)cc4)C(=O)O3)ccc2c1 2927436 OWIPOJAHNVGZMT-ODLFYWEKSA-N 391.264 5.892 10 50 GKCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 4309554 AQNGEGAZQNCRRW-PZROIBLQSA-N 391.254 5.737 10 50 GKCA CN1CCCc2cc([C@H]3C=Cc4ccccc4N3C(=O)c3ccccc3)ccc21 22016740 JNNGMEOOKMBABH-RUZDIDTESA-N 380.491 5.484 10 50 GKCA O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 4575327 UYSVWOSJVYSBMJ-UHFFFAOYSA-N 388.236 5.063 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(cc(Cl)cc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1 4819198 ZHIACMRMDZGQIZ-ZQIUZPCESA-N 394.780 6.094 10 50 GKCA C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5050205 SQNOBOMKOZLJSM-LKBVRNOZSA-N 394.348 5.956 10 50 GKCA Brc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1 1170492 TZXWYZSHJMKNPN-UHFFFAOYSA-N 378.273 5.400 10 50 GKCA CCc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1 1138071 ZEVVVAMKSJOYDV-UHFFFAOYSA-N 398.300 5.486 10 50 GKCA CSc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 2470442 DUXHQNXWPVCNNT-NRFANRHFSA-N 387.508 5.567 10 50 GKCA CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 2989186 RHLKCMHFTIBTBW-SFQUDFHCSA-N 389.929 5.535 10 50 GKCA COc1ccc([C@@H](NC(=O)c2ccccc2)c2c(O)ccc3ccccc23)cc1 855830 LYQSBPSHBBYBID-XMMPIXPASA-N 383.447 5.073 10 50 GKCA CCCOc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2470397 IBYCAQPUJIALTP-QFIPXVFZSA-N 385.467 5.326 10 50 GKCA Oc1c(Br)cc(Br)cc1CNc1ccccc1Cl 1406676 YZRQODIISQIMJN-UHFFFAOYSA-N 391.490 5.183 10 50 GKCA COc1cccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1 1806683 CKFGKCPXCQKLSI-UNOMPAQXSA-N 377.490 5.254 10 50 GKCA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 4854142 YKVWVXBPVGBHDJ-ZCYQVOJMSA-N 399.494 5.004 10 50 GKCA Cc1ccnc(N[C@@H](c2ccc(C(C)(C)C)cc2)c2ccc3cccnc3c2O)c1 15015551 ZTZYFPVPRKUORH-QHCPKHFHSA-N 397.522 6.143 10 50 GKCA CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 222258837 LTFMDQOLBAUGDX-WOIUINJBSA-N 392.455 5.378 10 50 GKCA CN(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4854249 OUYYWQVCUKCGGE-SIKLNZKXSA-N 375.497 5.056 10 50 GKCA COc1cccc(C(=O)N[C@@H](c2ccc(C)cc2)c2c(O)ccc3ccccc23)c1 2980863 UNAITCWGJGUSJM-VWLOTQADSA-N 397.474 5.382 10 50 GKCA Oc1ccc(Br)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 4844802 PCMJPORDPBGSHV-OGHNNQOOSA-N 376.681 5.635 10 50 GKCA CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 1178567 ISKQNZSMDQFEJF-ZROIWOOFSA-N 383.416 5.187 10 50 GKCA CC(C)(C)c1ccc(CNC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 20110059 DFHPPMTXSGQCGB-UHFFFAOYSA-N 383.491 5.048 10 50 GKCA CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 169697173 URLGHWPDUVWLJC-WOIUINJBSA-N 392.455 5.378 10 50 GKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 25572809 PITRAGZEVXQZQG-DENIHFKCSA-N 394.833 5.427 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1cnn(C)c1C 12243014 WYPLNXKAKOKYTB-OAQYLSRUSA-N 397.519 5.120 10 50 GKCA O=C1c2ccccc2C(=O)C1(Cc1ccccc1)c1ccc(Br)cc1 2311843 RRNYHPFOILEPPU-UHFFFAOYSA-N 391.264 5.009 10 50 GKCA O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1Cc1ccccc1 15011941 KGBHLWBZJFUGLR-XNTDXEJSSA-N 379.428 5.107 10 50 GKCA O=C1C[C@@H](c2cccc(O)c2)c2c(c3ccccc3c3nc4ccccc4nc23)O1 217698578 BKXZBFMXFGNDHP-SFHVURJKSA-N 392.414 5.083 10 50 GKCA biogenic Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 13616581 YHLQJXGGGBAWOX-OXJNMPFZSA-N 382.872 5.349 10 50 GKCA CSc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1 2817199 RWEFLBIDUYSNPU-JXAWBTAJSA-N 385.579 5.243 10 50 GKCA CSc1ccc(NC(=O)Nc2ccccc2/N=N/c2ccc(C)cc2)cc1 4794868 CQXQPGPCEQFKJX-OCOZRVBESA-N 376.485 6.776 10 50 GKCA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCC[C@@H]3C)c12 634116 PEENJXFCZVHDDY-INIZCTEOSA-N 393.483 5.357 10 50 GKCA biogenic Cc1ccnc(N[C@H](c2ccc3ccccc3c2)c2ccc3cccnc3c2O)c1 2874079 ACOPCCNQZUNLPD-XMMPIXPASA-N 391.474 5.999 10 50 GKCA CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 5708654 ISKQNZSMDQFEJF-NTEUORMPSA-N 383.416 5.187 10 50 GKCA Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 169617661 JFZBWQQOWNVMBU-CKEIUWERSA-N 395.127 6.582 10 50 GKCA CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 2988897 LVJPDAJIKNBMMO-GZTJUZNOSA-N 389.929 5.535 10 50 GKCA O=C1/C(=C\C=C\C=C\Nc2ccccc2)SC(=S)N1CCc1ccccc1 16185210 KPXKZJZCHLLNLP-GVBFPQTRSA-N 392.549 5.155 10 50 GKCA COC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 4455943 MAPLJDVVHBOMAU-FCEWJHQRSA-N 384.273 5.062 10 50 GKCA Oc1ccc(-c2cncnc2)cc1CNCCC(c1ccccc1)c1ccccc1 19229067 NMAHBCFJCDVKDW-UHFFFAOYSA-N 395.506 5.161 10 50 GKCA C1=C[C@]23CCCC[C@]2(C=C1)CN(N=NN1C[C@]24C=CC=C[C@@]2(CCCC4)C1)C3 254703901 WCSNKQPGRWYFHU-MOUTVQLLSA-N 376.548 5.245 10 50 GKCA O=C(N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12)c1ccccc1 2063573 UXSDXPQORHVTIJ-HSZRJFAPSA-N 387.866 5.718 10 50 GKCA aggregator Cc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4O[C@H]3C)SC2=S)cc1 1133745 HSIVQZUPBATKJE-DKNZLLBESA-N 393.533 5.104 10 50 GKCA CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S 4819313 DSZKDPDRHHTJIK-UKTHLTGXSA-N 381.931 5.305 10 50 GKCA Brc1ccc(/N=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 4774692 GBHZAZVGCNOWRY-GHVJWSGMSA-N 378.273 6.385 10 50 GKCA CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 826385 WQLMCEDOSCJZCP-UHFFFAOYSA-N 391.858 5.467 10 50 GKCA Cc1ccc(Cl)c2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@H]21 4183635 ZSHHPKIRTAAKPX-NPPFBWRTSA-N 383.944 5.969 10 50 GKCA CN(C)c1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(-c4ccccc4)cn32)cc1 5072419 QRZLLWWAWLALDP-VWLOTQADSA-N 392.506 5.730 10 50 GKCA aggregator COc1ccc(Br)cc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@@H]21 6727245 OETMSCHDQYEHFZ-BIENJYKASA-N 390.708 5.938 10 50 GKCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3Cl)c(O)c2n1 1159790 PEXQTMGRJKPKCN-NRFANRHFSA-N 375.859 5.499 10 50 GKCA CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1Cl 2845753 ZPWALEGOWMUUHZ-UHFFFAOYSA-N 383.875 5.635 10 50 GKCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1 2673234 UODCAJJIHKZMMX-UYRXBGFRSA-N 381.566 5.694 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(cc(Cl)cc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1 4819194 ZHIACMRMDZGQIZ-VBQJREDUSA-N 394.780 6.094 10 50 GKCA C[C@@H]1CCC[C@@H](C)N1CCNc1ccc(/N=N/c2ccccc2)c2ccccc12 96026876 WMWDEXXJQCOTEU-QBVLGXCHSA-N 386.543 6.930 10 50 GKCA Cn1c(=O)cc2c3c(c(Nc4cccc(Cl)c4)ccc31)C(=O)c1ccccc1-2 2189930 IXEMIDNPWNMESH-UHFFFAOYSA-N 386.838 5.147 10 50 GKCA CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 4532256 DJQWUQXGETUZLB-HSZRJFAPSA-N 375.903 5.762 10 50 GKCA CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4575009 URLGHWPDUVWLJC-DXIQSLLYSA-N 392.455 5.378 10 50 GKCA CC(=C\c1ccco1)/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 4819173 HZOCEZBBBGIMHC-UMPOCWKLSA-N 395.427 5.651 10 50 GKCA C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 2255914 ZVHAFTKDKBDINT-FFCYNSPCSA-N 394.348 5.956 10 50 GKCA CCN1/C(=C2/SC(=S)N(c3ccccc3)C2=O)C=Cc2cc(C)ccc21 100288685 RCJHTUCHCFWPCF-VHEBQXMUSA-N 378.522 5.125 10 50 GKCA CCNc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1 3861468 VKWNTWQXVLKCSG-ZDXBJJIESA-N 379.467 8.102 10 50 GKCA in-vitro CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 759494 CUZQOORVLPUEMQ-SIFCLUCFSA-N 388.294 5.997 10 50 GKCA Cc1ccc([C@@H](NC(=O)CCc2ccccc2)c2c(O)ccc3ccccc23)cc1 2817156 YKPNZUGHNROUQU-HHHXNRCGSA-N 395.502 5.692 10 50 GKCA CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 5023044 ACJWXRSVFCQGQQ-GZTJUZNOSA-N 389.929 5.140 10 50 GKCA CN(C)CCCNc1ccc(/N=N/c2cccc3cnccc23)c2ccccc12 71767060 MINAYBYJPXUPDY-BYYHNAKLSA-N 383.499 6.167 10 50 GKCA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 4321276 AGVOAIGMMHPJPZ-UWVAXJGDSA-N 383.289 5.234 10 50 GKCA CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 4512537 IQDRAFCHJMNCAE-GZTJUZNOSA-N 389.929 5.140 10 50 GKCA C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12 19791530 NCXXDDQPOLAHET-AWEZNQCLSA-N 383.875 5.193 10 50 GKCA biogenic Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 169617094 BIORLBXGJKUVSB-AGKHESDQSA-N 385.121 7.127 10 50 GKCA CCNc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2)cc1 254834097 VKWNTWQXVLKCSG-UHFFFAOYSA-N 379.467 8.102 10 50 GKCA Cc1ccc(N/C=C/C=C/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 4042567 SQSBJIRYDGSOAX-DZNASLNGSA-N 392.549 5.421 10 50 GKCA COc1ccccc1NC(=O)c1cc2ccccc2c(/N=N/c2ccccc2)c1O 100294511 IHQQARHAUQZTPK-CYYJNZCTSA-N 397.434 6.222 10 50 GKCA COc1ccc([C@@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc23)cc1 970916 VYPUVVGXWOVISS-AREMUKBSSA-N 397.474 5.002 10 50 GKCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 1159502 IPXQJCNNAPOAHV-UYRXBGFRSA-N 377.490 5.661 10 50 GKCA CCN(CC)c1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2470346 SZZUHXFECHOWNN-HSZRJFAPSA-N 398.510 5.383 10 50 GKCA CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O 801096 VTPUBOAPEQSTFS-SFHVURJKSA-N 389.282 5.253 10 50 GKCA CCOc1ccc(N2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 970671 WMLMOMKYIRQDLM-FQHLDWHWSA-N 381.522 5.437 10 50 GKCA O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc(Cl)c1 2188993 VLPJASAMTUDBHS-RIYZIHGNSA-N 399.846 5.765 10 50 GKCA Cn1cc(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21 5799183 SLTSOYHMDUHMEA-FOCLMDBBSA-N 391.474 5.107 10 50 GKCA Cc1ccc(C)n1-c1cccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 755635 ZWHRLZSNJHBOOH-UHFFFAOYSA-N 383.495 5.754 10 50 GKCA COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2c(O)ccc3ccccc23)cc1 2979680 XYQIXHRCYDKCAK-RUZDIDTESA-N 397.474 5.382 10 50 GKCA CSc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 16267643 VAALJFMTWBYNOW-GDNBJRDFSA-N 377.943 5.468 10 50 GKCA Oc1ccc(-c2cccnc2)cc1CN(CCc1ccccc1)Cc1ccccc1 20453291 OHXQQXWRMXDFQK-UHFFFAOYSA-N 394.518 5.699 10 50 GKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5050328 FEEFCTKLLPKECQ-OKHBPPCESA-N 377.893 5.442 10 50 GKCA CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 5090870 LTFMDQOLBAUGDX-KNKQGSTJSA-N 392.455 5.378 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 169617631 NCRCCPRHMJZJEF-QCUMIWAISA-N 388.442 5.628 10 50 GKCA CCOc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1cccs1 679193 XTKFEKSLWYSFEN-UHFFFAOYSA-N 389.904 5.697 10 50 GKCA Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3ccsc3)c(N)n2n1 1386228 LJLVEEUEAYKEMH-UHFFFAOYSA-N 391.525 5.176 10 50 GKCA Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1/N=N/c1cccc([N+](=O)[O-])c1 5881550 ZYBFMQRYILJUHZ-QZQOTICOSA-N 390.230 6.120 10 50 GKCA O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 4689410 FLOCAIFEUXAXLG-PRXAMGSTSA-N 395.673 6.382 10 50 GKCA Oc1c([C@H](Nc2ccccn2)c2ccccc2F)cc(Cl)c2cccnc12 5065550 CWNKFDCPRPBCRF-LJQANCHMSA-N 379.822 5.329 10 50 GKCA Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1 13483029 YGCFIMFLFHKITD-UNOMPAQXSA-N 394.521 5.089 10 50 GKCA O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(O)cc1 1215441 XATGROGLIDMPIH-ZSOIEALJSA-N 382.293 5.105 10 50 GKCA CCCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 30696743 MLYLVZHSGJLACW-QBILMKHKSA-N 398.875 5.019 10 50 GKCA O=C(O)[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)c1ccccc1 771811 BSSGORVBEHMAOO-RPWUZVMVSA-N 382.459 5.591 10 50 GKCA Cc1ccc(NCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1Cl 5008780 AARNYSKYMYSDCX-LZYBPNLTSA-N 392.908 5.058 10 50 GKCA O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 2911756 NPHNHXILBUAVGR-RIYZIHGNSA-N 399.846 5.765 10 50 GKCA O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Cl)cc1 1857666842 HMIFKCLQWMDXBO-UHFFFAOYSA-N 399.846 5.765 10 50 GKCA CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)OC 5214195 YABRFKHQUUKWBO-UHFFFAOYSA-N 394.467 5.135 10 50 GKCA CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 1152346 YVUNNQLZDHEQNI-UNOMPAQXSA-N 383.538 5.123 10 50 GKCA O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(O)cc1 1227560 IMSCSLAYVOKUBV-AUWJEWJLSA-N 382.293 5.105 10 50 GKCA CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 14010482 TYDMRJJAEMRXAM-JCMHNJIXSA-N 389.495 5.386 10 50 GKCA Oc1ccc(-c2nc3ccccc3s2)cc1CNCCc1c[nH]c2ccccc12 20920283 MZHZYJIAMFIQQJ-UHFFFAOYSA-N 399.519 5.483 10 50 GKCA Cc1nc(N)sc1-c1csc(Nc2cc(C(F)(F)F)ccc2Cl)n1 2860521 JLTKJDUZRWPTAP-UHFFFAOYSA-N 390.843 5.573 10 50 GKCA CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc(/N=N/c2ccccc2)cc1 100433137 VADQCXDTYYUJSA-SFFUPWIKSA-N 397.507 6.621 10 50 GKCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3c(F)cccc3Cl)c(O)c2n1 4151018 PRABZMUPZPFTLS-NRFANRHFSA-N 393.849 5.638 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21 4689687 RMSFNPMEZBGVFQ-VNBZBWLYSA-N 384.228 6.839 10 50 GKCA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC(C)C 1160419 HNWNQVCNIFVBLO-UNOMPAQXSA-N 399.537 5.197 10 50 GKCA O=[N+]([O-])c1ccc(/N=N/c2c(O)c3ccccc3c3ccccc23)c([N+](=O)[O-])c1 100951720 WIWQKZWDFCJGQY-QURGRASLSA-N 388.339 5.930 10 50 GKCA CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1C 2073836 WNNRRYFKFYPPNA-HSZRJFAPSA-N 399.494 5.552 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1 4081968 FQCUSEMHJCASRV-MPGHIAIKSA-N 376.334 5.320 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 4624360 ANSKEBAPMGMQFR-FUHIMQAGSA-N 387.401 5.709 10 50 GKCA COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1cccnc1 14970736 XAVGSODVGQQNJC-NRFANRHFSA-N 398.478 5.612 10 50 GKCA CCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2ccccc2c1O 6309748 UWKCZWRJOHNYKX-XMMPIXPASA-N 375.512 6.065 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@@H]21 59267056 QYSMKNMMLMUFOC-VGTOOOLASA-N 384.228 6.839 10 50 GKCA CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cccc(Cl)c2Cl)cc1 4774662 VECBWNFWUSNOLU-UHFFFAOYSA-N 399.365 6.306 10 50 GKCA Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1Cl 4953824 WTPBBBWWZHERMI-IUXPMGMMSA-N 384.913 5.536 10 50 GKCA CCCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCC(C)CC2)c1O 5066937 AQOBUURKJVJVLB-UHFFFAOYSA-N 391.511 5.350 10 50 GKCA COc1ccccc1N=Nc1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12 254867887 MZOOQEKXDIVGRL-UHFFFAOYSA-N 397.434 6.222 10 50 GKCA Oc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 6863817 QFGWWMOKECHORR-UGKGYDQZSA-N 376.843 5.288 10 50 GKCA Cc1ccnc(N[C@@H](c2ccc(C)s2)c2ccc3ccc(C)nc3c2O)c1 5533953 YKPWXWMEESFCMT-OAQYLSRUSA-N 375.497 5.524 10 50 GKCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 12382321 UWUHWCGACIAOIT-WOIUINJBSA-N 392.455 5.234 10 50 GKCA Cc1ccnc(N[C@H](c2ccc(C(C)C)cc2)c2ccc3cccnc3c2O)c1 13060381 IUBFBKTYCGEBEG-HSZRJFAPSA-N 383.495 5.969 10 50 GKCA COc1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4828904 LOMHKTSXDZGTJT-JMERFSKESA-N 386.835 5.092 10 50 GKCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(Cl)c3)c(O)c2n1 2502830 AQPFIEMLHIVYAM-HXUWFJFHSA-N 375.859 5.499 10 50 GKCA Cc1ccc(Cl)c2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@@H]1CC=C[C@H]21 4183638 ZSHHPKIRTAAKPX-NJNPRVFISA-N 383.944 5.969 10 50 GKCA CCN1C=C/C(=C\C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 5947775 KVYUQKQIYKVUJE-GEEUODSKSA-N 390.533 5.372 10 50 GKCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(Cl)c3)c(O)c2n1 2502831 AQPFIEMLHIVYAM-FQEVSTJZSA-N 375.859 5.499 10 50 GKCA Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21 4321226 VOUNWWOTGCOYHY-RXWOYKEUSA-N 384.479 5.798 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)=O)cc2[C@H]2C=CC[C@H]21 4821439 FGWJVUVUPVNYQO-GCKMJXCFSA-N 398.300 5.487 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@H]21 1016163 DABIPKHAFYILJH-VEVIJQCQSA-N 392.243 5.562 10 50 GKCA C1=C[C@@]23CCCC[C@]2(C=C1)CN(N=NN1C[C@@]24C=CC=C[C@@]2(CCCC4)C1)C3 254703903 WCSNKQPGRWYFHU-WAPCQROESA-N 376.548 5.245 10 50 GKCA COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1cccc(O)c1 11791031 JIDSIEKFYUUATD-QFIPXVFZSA-N 395.499 5.784 10 50 GKCA Oc1ccc2ccccc2c1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19300090 ZIUFOEDEFZZIGM-UHFFFAOYSA-N 394.518 5.562 10 50 GKCA CC(C)N(Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12)C(C)C 19787276 NTRYRLYSHYWKST-UHFFFAOYSA-N 385.891 5.438 10 50 GKCA biogenic O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 19787335 LIGHTOPFGVEIEO-BFQNTYOBSA-N 377.227 5.434 10 50 GKCA Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 4713385 VQOBDUXIBFXMEA-RXWOYKEUSA-N 384.479 5.798 10 50 GKCA COc1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 229885432 LOMHKTSXDZGTJT-VPZZIHKRSA-N 386.835 5.092 10 50 GKCA COc1cc(Br)cc(CNc2ccc(Cl)c(Cl)c2)c1O 629144 QKWZVPMTCZTGBJ-UHFFFAOYSA-N 377.065 5.082 10 50 GKCA Oc1ccc2ccccc2c1[C@@H](c1ccc(Br)cc1)N1CCCCC1 2074785 BOFXEAJNXZDDLI-JOCHJYFZSA-N 396.328 5.883 10 50 GKCA Cc1cc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)ccc1N1CCCCC1 1875318204 PFKRROPWWDDFSX-AREMUKBSSA-N 387.571 6.194 10 50 GKCA CC(C)(C)c1cc([C@H](c2ccccc2O)N2CCCCC2)cc(C(C)(C)C)c1O 2269724 VPDSZFFCLBKLKX-HSZRJFAPSA-N 395.587 6.268 10 50 GKCA Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 13632900 XGVGBWLRNCTBIB-SPYBWZPUSA-N 385.261 5.492 10 50 GKCA COc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 16448624 VPXXBEOUQOEFIN-FHAGJXEFSA-N 398.462 6.097 10 50 GKCA Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccccc4Cl)o3)CC2)c1 1114582 PYUIJYSBNKFFHI-UHFFFAOYSA-N 396.943 5.406 10 50 GKCA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccnc2)c1C 15010991 PCRLTIDIXZANKG-JCMHNJIXSA-N 384.483 5.075 10 50 GKCA CN(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4854251 OUYYWQVCUKCGGE-UGKGYDQZSA-N 375.497 5.056 10 50 GKCA CCN(CCO)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 254490340 IZKMDTFNKCYTOU-UHFFFAOYSA-N 383.235 5.136 10 50 GKCA Brc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)cc1 3880308 YWQSTBRRGMJSAA-KNKQGSTJSA-N 376.297 6.429 10 50 GKCA COc1ccc(Cl)c2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 6646339 YNCGFOQAHMGLRL-PZROIBLQSA-N 390.708 5.938 10 50 GKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 13616582 YHLQJXGGGBAWOX-OXQOHEQNSA-N 382.872 5.349 10 50 GKCA CCc1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1201377 WVULBHHXEXESQS-UHFFFAOYSA-N 382.459 5.130 10 50 GKCA COc1cccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 1170127 LEJAAHYFLBUKNT-XMMPIXPASA-N 383.447 5.073 10 50 GKCA Oc1ccccc1CN1CCC(c2[nH]ncc2-c2ccc3ccccc3c2)CC1 11784532 RPVNMWRFFWGQJV-UHFFFAOYSA-N 383.495 5.315 10 50 GKCA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1c2ccccc2nc2ccccc12 102570077 BUCDLIYWWSCTBK-HMMYKYKNSA-N 378.435 5.107 10 50 GKCA CCOc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 4871409 NSIKMWFEJVYWHD-LFIBNONCSA-N 375.902 5.145 10 50 GKCA CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 222258775 LTFMDQOLBAUGDX-XQBPLPMBSA-N 392.455 5.378 10 50 GKCA CC(C)(C)c1cc([C@@H](c2ccccc2O)N2CCOCC2)cc(C(C)(C)C)c1O 20840272 GYYGKFKKUKBBRU-QFIPXVFZSA-N 397.559 5.114 10 50 GKCA COc1ccc(Cl)c2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 6646340 YNCGFOQAHMGLRL-IUUKEHGRSA-N 390.708 5.938 10 50 GKCA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 15240537 WGSSPYJLXXMWPV-LPMFXHHGSA-N 387.310 5.522 10 50 GKCA Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 13632897 XGVGBWLRNCTBIB-ZRGWGRIASA-N 385.261 5.492 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@@H]2CC=C[C@H]42)cc1 229961890 NCRCCPRHMJZJEF-REJRFELZSA-N 388.442 5.628 10 50 GKCA CCN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C1CCCCC1 1782051 QKFSABWPXDOIEX-UHFFFAOYSA-N 377.484 5.320 10 50 GKCA biogenic CC(C)Oc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2470458 LIQUBTUWBFWXRU-QFIPXVFZSA-N 385.467 5.324 10 50 GKCA Cc1cccc(N[C@H](c2ccc3ccc(C)nc3c2O)c2sccc2C)n1 5740673 DDEXKWRWFNUKNE-HXUWFJFHSA-N 375.497 5.524 10 50 GKCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(C(C)C)cc3)c(O)c2n1 3003782 QDVOKVIYOIYLAM-QHCPKHFHSA-N 383.495 5.969 10 50 GKCA O=C1c2cccc(Oc3ccccc3)c2C(=O)c2c(Oc3ccccc3)cccc21 4343957 ADJYQFBOMQAMAI-UHFFFAOYSA-N 392.410 6.047 10 50 GKCA biogenic C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 5051673 ZZBNVOPKQBUKCP-AUQXIXNCSA-N 375.518 5.802 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21 4689690 RMSFNPMEZBGVFQ-OAVHHTNSSA-N 384.228 6.839 10 50 GKCA CCn1c2ccccc2c2cc(CN3CCN(c4ccc(OC)cc4)CC3)ccc21 55543824 LTFDPPSAYFVILC-UHFFFAOYSA-N 399.538 5.145 10 50 GKCA Cc1ccc(/N=N/c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 4776846 MQFXEJWYMXLFFO-OCOZRVBESA-N 384.266 6.970 10 50 GKCA O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CCc1ccccc1 2208143 CKVRMYVSMNIDHI-YBEGLDIGSA-N 394.348 5.437 10 50 GKCA Cc1cccc(N[C@H](c2ccc(N(C)C)cc2)c2ccc3ccc(C)nc3c2O)n1 4164726 HOCWFUDKLDDDRQ-HSZRJFAPSA-N 398.510 5.220 10 50 GKCA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 169682360 FBSXSUYXNQBFBZ-GPMSIDNRSA-N 384.273 5.062 10 50 GKCA O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1C1CCCCC1 1177845 KSNGESLVABHGDP-LDADJPATSA-N 387.501 5.620 10 50 GKCA CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 2998302 PBJUUXBLBKCNOK-XMHGGMMESA-N 382.554 5.247 10 50 GKCA C1=C[C@@]23CCCC[C@]2(C=C1)CN(N=NN1C[C@]24C=CC=C[C@@]2(CCCC4)C1)C3 254703904 WCSNKQPGRWYFHU-YCAMKHIRSA-N 376.548 5.245 10 50 GKCA Cc1cc(N2Cc3ccccc3C2)ccc1/N=N/c1ccc(Br)cc1 4774687 WRCZRWGIGHGKKA-WCWDXBQESA-N 392.300 6.693 10 50 GKCA O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccc(F)cc1 22309514 QTAPQPMULONPAB-WQRHYEAKSA-N 399.443 5.631 10 50 GKCA CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1 2834247 HKGVFHKMOBAOEG-QHCPKHFHSA-N 399.494 5.552 10 50 GKCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4844813 PCSFGONBZQAHOM-DXIQSLLYSA-N 392.455 5.234 10 50 GKCA CCN1C(=O)/C(=C\C=C2\Sc3c(ccc4ccccc34)N2CC)SC1=S 33908123 OJTHRRJSNGZTAR-MAEUFBSDSA-N 398.578 5.377 10 50 GKCA Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 3831401 QMHSXPLYMTVAMK-UHFFFAOYSA-N 382.531 5.308 10 50 GKCA world C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 5051674 ZZBNVOPKQBUKCP-NPQOUYBPSA-N 375.518 5.802 10 50 GKCA CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)SC1=S 33675184 AVHXAJUBBAZIGF-SQFISAMPSA-N 384.979 5.102 10 50 GKCA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCC[C@H](C)C3)c12 634124 PITXMSAZLCZDMS-INIZCTEOSA-N 393.483 5.214 10 50 GKCA biogenic COC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2c1N 1513577 TUQQPMVQPRXTTC-UHFFFAOYSA-N 390.464 5.008 10 50 GKCA CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1 1888252 LXYAQLBWSBBIRR-XMHGGMMESA-N 382.554 5.247 10 50 GKCA CCOc1cccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@H]42)c1O 22078077 NNFZUWJUMIISIS-JOCHJYFZSA-N 390.527 5.337 10 50 GKCA O=C1/C(=C\C=C\C=C\Nc2ccccc2)SC(=S)N1Cc1ccccc1 15636518 PELKFTHIRBHGRQ-BLOSECNYSA-N 378.522 5.113 10 50 GKCA CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 2696759 DWETYWBEZHUUCZ-LUJRCDHRSA-N 376.591 5.170 10 50 GKCA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1c(Cl)cc(Cl)cc1Cl 100148628 QAJSYWOMZATKIP-UKTHLTGXSA-N 380.662 5.365 10 50 GKCA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 662752 AGVOAIGMMHPJPZ-FUHIMQAGSA-N 383.289 5.234 10 50 GKCA O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 4721966 QZZJFGFQSQOUKI-PBFPGSCMSA-N 393.792 5.884 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@@H]21 226156606 RMSFNPMEZBGVFQ-FTLABTOESA-N 384.228 6.839 10 50 GKCA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4069814 DBKUTFIJVFCDJF-ZXUQHISHSA-N 388.298 6.632 10 50 GKCA CCCCCOC(=O)CCCN1C(=O)S/C(=C/c2ccccc2)C1=S 5010048 CHQZZGQADGBQAX-JQIJEIRASA-N 377.531 5.037 10 50 GKCA Cc1cc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)ccc1N1CCCCC1 1875318206 PFKRROPWWDDFSX-SANMLTNESA-N 387.571 6.194 10 50 GKCA CCOc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1O 15016210 BAPKTBYGPQCKON-VGSWGCGISA-N 392.480 5.095 10 50 GKCA CC(C)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 4815363 XZHFRMKQBAMXEG-OVCLIPMQSA-N 398.336 5.863 10 50 GKCA Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4151461 BVJAADNFOQHJMJ-GJYPPUQNSA-N 399.288 5.801 10 50 GKCA C1=CC[C@]23CCCC[C@]2(C1)CN(N=NN1C[C@]24CC=CC[C@@]2(CCCC4)C1)C3 254304570 KMSNNMWQDSKHEI-MOUTVQLLSA-N 380.580 5.693 10 50 GKCA CCN1/C(=C2/SC(=S)N(c3ccc(C)cc3)C2=O)C=Cc2ccccc21 100847739 MCXBOCAVOSZAII-VHEBQXMUSA-N 378.522 5.125 10 50 GKCA Cc1ccc(C)c([C@@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1 1065697 MJUWUFTWEZHRBO-OAQYLSRUSA-N 389.886 5.807 10 50 GKCA CSc1ccc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)cc1 2817251 BIMASHWNTXTVFP-LGMDPLHJSA-N 377.600 5.580 10 50 GKCA Fc1ccccc1[C@@H]1[C@@H]2CC=C[C@@H]2c2c3c(cc4ccccc24)[C@@H]2C=CC[C@H]2CN31 169684057 FVAFZNALYZHRMV-DIBLOFEHSA-N 393.505 6.873 10 50 GKCA Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1C 1788090 SJEILDAQIBMQNW-PXNMLYILSA-N 394.348 6.016 10 50 GKCA COc1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 2878141 LOMHKTSXDZGTJT-QUJCMNEKSA-N 386.835 5.092 10 50 GKCA CN(C)c1ccc(C(C(Cl)=C(Cl)Cl)c2ccc(N(C)C)cc2)cc1 3075601 SJIJBOZKCYEWHE-UHFFFAOYSA-N 383.750 5.836 10 50 GKCA CCOc1cccc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)c1OC 4755104 FLAHPWQKWDGTJI-QNGOZBTKSA-N 386.451 5.053 10 50 GKCA Cc1cc(C)c(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(Cl)c1 1777584 MSIYBYKUDJQDSV-UHFFFAOYSA-N 391.854 5.275 10 50 GKCA CCCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 2834635 VWFITOYWQVZLRO-QHCPKHFHSA-N 399.494 5.634 10 50 GKCA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 4571183 WGSSPYJLXXMWPV-KSMMKXTCSA-N 387.310 5.522 10 50 GKCA Oc1c(Cl)cc(Cl)cc1C1N(c2ccccc2)CCN1c1ccccc1 2074706 WACDHQSKSNRWSP-UHFFFAOYSA-N 385.294 5.724 10 50 GKCA CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N 22343191 CJIGSABNJRTVHW-UHFFFAOYSA-N 380.494 5.451 10 50 GKCA Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Br)cc2)cc1 1149562 ANAHTYFHFCUMDX-UHFFFAOYSA-N 384.273 5.232 10 50 GKCA Cc1ccc2[nH]c(C)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2c1 1182545 BJOFTOXFNKMYQZ-YBFXNURJSA-N 378.522 5.186 10 50 GKCA COc1ccc(NC(=O)N2c3cc(C)c(C)cc3C(C)=CC2(C)C)cc1OC 2201580 XNWPSJADYNTNIP-UHFFFAOYSA-N 380.488 5.555 10 50 GKCA CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1C2=O 3861477 RHGBRYSELHPAFL-UHFFFAOYSA-N 378.516 5.666 10 50 GKCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 12382325 PCSFGONBZQAHOM-WOIUINJBSA-N 392.455 5.234 10 50 GKCA Cc1ccc([C@@H](CCNCc2ccc(N(C)C)cc2)[C@H]2CCOC(C)(C)C2)cc1 2810298 ILKGFZGCTFIHGF-UKILVPOCSA-N 394.603 5.530 10 50 GKCA CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4575012 URLGHWPDUVWLJC-KNKQGSTJSA-N 392.455 5.378 10 50 GKCA COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(Br)cc2)c1C 4237787 SWWPJUJWQOOATC-UHFFFAOYSA-N 398.300 5.619 10 50 GKCA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 20598815 CBRMZNJPKRDNDB-QGZVFWFLSA-N 381.907 5.124 10 50 GKCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3ccc(F)cc3F)ccc12 2841425 OBVVUEUKHFQPJS-UHFFFAOYSA-N 382.362 5.120 10 50 GKCA Fc1ccccc1[C@@H]1[C@@H]2CC=C[C@@H]2c2c3c(cc4ccccc24)[C@H]2C=CC[C@@H]2CN31 247502245 FVAFZNALYZHRMV-CQINHTDHSA-N 393.505 6.873 10 50 GKCA CSc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 1171679 HXUCONQSWLUJMR-OAQYLSRUSA-N 387.508 5.567 10 50 GKCA CCCNC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 5050294 MNPYFAVCMQZAOH-UHFFFAOYSA-N 396.519 5.786 10 50 GKCA COc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc(Cl)c1O 4755162 ROQZPQJYMCRAOR-NVMNQCDNSA-N 392.842 5.014 10 50 GKCA Oc1ccc(Br)cc1C1N(c2ccccc2)CCN1c1ccccc1 2895163 JSTSFTHQVJPXBB-UHFFFAOYSA-N 395.300 5.180 10 50 GKCA Cc1ccc(Sc2ccc(C(C)(C)C)cc2)c2c1C(=O)c1ccccc1C2=O 4785810 OOGRFHSCHHOZIX-UHFFFAOYSA-N 386.516 6.219 10 50 GKCA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S 2678046 JINJDAOZAQCVNC-IIMQCXAKSA-N 393.574 5.209 10 50 GKCA COc1ccccc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CCC2 4155144 NTURWFZBIIJIDJ-UHFFFAOYSA-N 382.485 5.011 10 50 GKCA CCN(CC)c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 1806766 LHGZGAUPWOFLKN-HGZPKWKRSA-N 394.565 5.495 10 50 GKCA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCC(C)CC3)c12 2667117 YDARBKORYFGQMH-UHFFFAOYSA-N 393.483 5.214 10 50 GKCA biogenic CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 169690003 MSASTMHEDHIUQX-XQBPLPMBSA-N 381.903 5.979 10 50 GKCA Cc1ccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)S2)cc1 1168740 VWWQOYWECSYQNV-NDENLUEZSA-N 393.895 6.278 10 50 GKCA Cn1c(/C=C/c2cn(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O 4438502 YNNSBSIODRRFMU-FOCLMDBBSA-N 391.474 5.107 10 50 GKCA CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 13601325 JYOYGMSODYTBKW-YBEGLDIGSA-N 375.902 5.145 10 50 GKCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 111479142 FHZOQPDFTUUOAY-GQIGUUNPSA-N 398.300 5.371 10 50 GKCA CC(C)[C@@H]1C[C@@](CCNCc2ccc(N(C)C)cc2)(c2ccccc2)CCO1 3999655 MFJHMTFOCRVPES-DQEYMECFSA-N 380.576 5.005 10 50 GKCA biogenic CC1CCN(c2cc(Br)c3noc4c3c2C(=O)c2ccccc2-4)CC1 4744372 NHNFTKMGJDPADY-UHFFFAOYSA-N 397.272 5.038 10 50 GKCA COc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CCC2 920841 LZFGXTANTYDAHL-UHFFFAOYSA-N 384.526 5.171 10 50 GKCA Cc1ccc([C@@]2(CCNCc3ccc(N(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 2212071 PASVNSLWOIJXES-FTJBHMTQSA-N 394.603 5.314 10 50 GKCA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 4571180 WGSSPYJLXXMWPV-NJSLBKSFSA-N 387.310 5.522 10 50 GKCA C1=CC[C@]23CCCC[C@@]2(C1)CN(N=NN1C[C@@]24CC=CC[C@@]2(CCCC4)C1)C3 17060677 KMSNNMWQDSKHEI-WAPCQROESA-N 380.580 5.693 10 50 GKCA CC(C)CN(Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12)CC(C)C 19770995 YZRZHQQMBWDZIF-UHFFFAOYSA-N 379.500 5.280 10 50 GKCA biogenic CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 2678062 IZYXURPAHNWCKU-JVVDOCDTSA-N 393.574 5.121 10 50 GKCA CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1122853 ILFPCEQTEJWVCC-CXUHLZMHSA-N 393.892 5.284 10 50 GKCA CN(C)c1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 100717339 KGOSHUPKXBWGJB-XMMPIXPASA-N 393.494 5.067 10 50 GKCA Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)SC1=S 1857666840 KPMDPWKGSQSXJG-UHFFFAOYSA-N 395.480 5.800 10 50 GKCA O=C(O)c1cc2c3c(c1)[C@@H]1CCCC[C@@H]1CN3[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 252427943 LGARIUWONWUFPT-ISPHGWFKSA-N 385.507 5.893 10 50 GKCA COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C)cc2[N+](=O)[O-])c1C 4237790 XZJVTHSPSYVQIY-UHFFFAOYSA-N 378.428 5.073 10 50 GKCA O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)ccc1Cl 1430182 FLOCAIFEUXAXLG-QFSBIZTOSA-N 395.673 6.382 10 50 GKCA CCCCOc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O 2810753 PLLJKZDRALTEHS-UHFFFAOYSA-N 385.463 5.252 10 50 GKCA Cc1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1 242648593 RCTGMCJBQGBLKT-UHFFFAOYSA-N 380.451 7.993 10 50 GKCA in-vitro O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1cc(Cl)ccc1Cl 4818920 NJJSYSIETPXYDR-UHFFFAOYSA-N 378.230 5.607 10 50 GKCA COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1195061 WYUZZWJCDSLFRS-OQLLNIDSSA-N 395.427 5.120 10 50 GKCA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4069816 DBKUTFIJVFCDJF-TYSNUYHTSA-N 388.298 6.632 10 50 GKCA CCC[B-]1(CCC)N(c2ccccc2)C(=O)[n+]2ccccc2N1c1ccccc1 195779654 NENHVJKEPIGQLL-UHFFFAOYSA-N 385.320 5.863 10 50 GKCA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCCCC3)c12 634131 WCGCXQQWRRQKEG-UHFFFAOYSA-N 393.483 5.358 10 50 GKCA biogenic CCN1/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)C=Cc2cc(C)ccc21 100707115 NLVDCJNDWUMISD-FMQUCBEESA-N 392.549 5.120 10 50 GKCA CCN1C(=O)/C(=C\c2ccc(COc3ccc(Cl)c(C)c3)o2)SC1=S 4652251 NOIAQFSZPUJBBG-CXUHLZMHSA-N 393.917 5.042 10 50 GKCA COc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1 4591506 AYWMAOBDHZWFAG-XNTDXEJSSA-N 395.427 5.120 10 50 GKCA CN(C)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@H](c4ccccc4)N23)cc1 230068328 MVTNPDZGDVJMMJ-JNXWTNLVSA-N 387.914 5.333 10 50 GKCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4844839 UWUHWCGACIAOIT-KNKQGSTJSA-N 392.455 5.234 10 50 GKCA O=C(O)[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@@H]1C(=O)c1ccccc1 771810 BSSGORVBEHMAOO-ZEQRLZLVSA-N 382.459 5.591 10 50 GKCA COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 13712553 MVXCJEUANXSRPT-NVNXTCNLSA-N 396.320 5.408 10 50 GKCA CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 646148 CZGLGEGNYDKASX-XQBPLPMBSA-N 380.919 5.649 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 59267052 LGCZLAYBUUQHRC-VGTOOOLASA-N 384.228 6.839 10 50 GKCA COc1cc([N+]#N)c(OC)cc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 257345492 VTOWZOJOEIGNGU-UHFFFAOYSA-N 383.171 5.819 10 50 GKCA C[S@](=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 1875388143 OWWSWRROIQAZBP-HXSCLMOKSA-N 378.324 5.557 10 50 GKCA Cc1ccc([C@@]2(CCNCc3ccc(N(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 2212074 PASVNSLWOIJXES-UIOOFZCWSA-N 394.603 5.314 10 50 GKCA CCOc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1O 4845034 BAPKTBYGPQCKON-JTSKRJEESA-N 392.480 5.095 10 50 GKCA O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1Cc1ccccc1 13810188 GUTDAFSEGCDHHH-RIYZIHGNSA-N 396.320 5.100 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@H]21 16425855 OETMSCHDQYEHFZ-PJIJBLCYSA-N 390.708 5.938 10 50 GKCA Cc1ccc(Cl)c2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@@H]1CC=C[C@@H]21 16393303 ZSHHPKIRTAAKPX-JBYIUTFZSA-N 383.944 5.969 10 50 GKCA CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccccc3)c2C1 2756697 VUCAANGSSBLYLM-UHFFFAOYSA-N 394.312 6.062 10 50 GKCA Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)s1 1150744 OPDMQBSSCANDCF-MDWZMJQESA-N 385.457 5.481 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 169617601 PDLUKLWQHFTIHW-FUHIMQAGSA-N 398.300 5.452 10 50 GKCA CCN(CC)c1ccc([C@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1 2944588 ALGHVLAVVQIQEQ-RUZDIDTESA-N 382.507 5.948 10 50 GKCA Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1 1086527 JWQIESOHSQASFX-GDNBJRDFSA-N 390.327 5.163 10 50 GKCA O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)ccc1Cl 4689407 FLOCAIFEUXAXLG-JKDFXYPNSA-N 395.673 6.382 10 50 GKCA O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1sc2ccccc2c1Cl 18120242 LPHZQHFGRVYQAM-OCOZRVBESA-N 391.883 7.222 10 50 GKCA COc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4820350 VPXXBEOUQOEFIN-DFIYOIEZSA-N 398.462 6.097 10 50 GKCA O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Cl)cc1 2990099 HMIFKCLQWMDXBO-NTEUORMPSA-N 399.846 5.765 10 50 GKCA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C(C)C)c(OCC)cc1C 12469322 BQLAIFJLTOUHPE-JWGURIENSA-N 390.527 6.103 10 50 GKCA O=C(N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O)C1CCCCC1 869250 FEMAOGCTYDYUOH-HXUWFJFHSA-N 394.902 5.380 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 1421028 ONRURSMNXRQIMR-SXGZJXTBSA-N 387.401 5.709 10 50 GKCA CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C 2470406 CYNZBLNMIJNBSF-QHCPKHFHSA-N 399.494 5.552 10 50 GKCA in-vitro CSc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 2470437 DUXHQNXWPVCNNT-OAQYLSRUSA-N 387.508 5.567 10 50 GKCA COC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 15163327 MAPLJDVVHBOMAU-MDZRGWNJSA-N 384.273 5.062 10 50 GKCA Cc1cc(/N=N/c2ccc(C)c(/N=N/c3cc(C)c(N)cc3N)c2)c(N)cc1N 18098741 SOJKLCSQJMPLCK-TUUFZWAFSA-N 388.479 5.771 10 50 GKCA in-vitro CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 18847041 GPKJTRJOBQGKQK-INIZCTEOSA-N 399.966 5.972 10 50 GKCA biogenic,world COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccccc2C(F)(F)F)cc1 1072866 RUDNIOFFLPQNQV-UHFFFAOYSA-N 389.373 5.189 10 50 GKCA COc1cccc(C(=O)N[C@H](c2ccc(C)cc2)c2c(O)ccc3ccccc23)c1 2980864 UNAITCWGJGUSJM-RUZDIDTESA-N 397.474 5.382 10 50 GKCA O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 37613806 QZZJFGFQSQOUKI-IGCXYCKISA-N 393.792 5.884 10 50 GKCA Cc1cc(C)cc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)c1 4663326 YPEGTUXTWKBJDH-UHFFFAOYSA-N 398.300 5.541 10 50 GKCA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccccc1 15011918 GXVYGJPQTIYJIG-OVCLIPMQSA-N 380.321 5.395 10 50 GKCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 111479137 YZTJKXQLGGNVAF-JZKQVHKSSA-N 398.300 5.371 10 50 GKCA Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c1 13785820 DAPQGLIANAAJSY-STZFKDTASA-N 388.492 5.643 10 50 GKCA Oc1ccc(-c2nc3ccccc3s2)cc1CNCCc1cccc(Cl)c1 14887389 CUTCPVMBUJRIAH-UHFFFAOYSA-N 394.927 5.655 10 50 GKCA CCOC(=O)C1=C(C)N(Cc2c(F)cccc2Cl)c2ccccc2S1 3134895 YDRPQGZDQYAQLU-UHFFFAOYSA-N 377.868 5.386 10 50 GKCA CCc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 2868281 AYLNNOFJYOLIGI-OAQYLSRUSA-N 389.886 5.753 10 50 GKCA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 2673133 DGKPGJJKOXILRN-JPVKTXQWSA-N 383.538 5.265 10 50 GKCA COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(Cl)c(Cl)c2)c1C 4237789 RFGZRZFJYXZZHG-UHFFFAOYSA-N 388.294 6.163 10 50 GKCA O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1Cc1ccccc1 4821882 PCSYKZWCMFGCNU-CCEZHUSRSA-N 377.447 5.097 10 50 GKCA Cc1ccc([C@]2(CCNCc3ccc(N(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 2212073 PASVNSLWOIJXES-CLJLJLNGSA-N 394.603 5.314 10 50 GKCA CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 15015667 KCVGIYPZPOWXIE-NVMNQCDNSA-N 390.826 5.028 10 50 GKCA O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccccc1F 1160281 GIHVJNJIVQKUBY-WQRHYEAKSA-N 399.443 5.631 10 50 GKCA Cc1ccc([C@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc23)cc1 2870021 XMPAUTHIHVYEGJ-SANMLTNESA-N 381.475 5.302 10 50 GKCA CCOc1cccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1 18190452 XKIAXDVGTLQPMF-QFIPXVFZSA-N 385.467 5.244 10 50 GKCA CC(C)C(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O 869241 GUGJXJDURCSDQV-GOSISDBHSA-N 389.282 5.109 10 50 GKCA Cc1nn(-c2ccc(Cl)c(C(=O)O)c2)c(C)c1/N=N/c1cccc([N+](=O)[O-])c1 16156229 BUIMWFYGMWTOAH-QZQOTICOSA-N 399.794 5.164 10 50 GKCA Cc1ccc(C)c([C@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1 1065693 MJUWUFTWEZHRBO-NRFANRHFSA-N 389.886 5.807 10 50 GKCA CCCC[C@H](CC)CN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 6323622 KDJVYWXZKDHXNL-CCRNYGKSSA-N 387.570 5.423 10 50 GKCA COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1C 15016790 RIINSJBWIPMKCE-JOCHJYFZSA-N 385.467 5.162 10 50 GKCA CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C)oc2c(CN2CCCCC2)c1O 4263634 SSVWDZIUPCOHJN-UHFFFAOYSA-N 395.474 5.161 10 50 GKCA CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 5050644 SSRHSTCWIWZUDH-RIYZIHGNSA-N 384.309 5.475 10 50 GKCA O=[N+]([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@@H]1CC=C[C@H]21 245231308 BIBYXMCNCDHNPI-SLEIARFRSA-N 388.442 5.628 10 50 GKCA CCOc1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 1178298 BLCXNIDFXMVPIX-UHFFFAOYSA-N 384.273 5.358 10 50 GKCA Cc1c(C(=O)O)oc2cc(OCc3ccccc3)c(OCc3ccccc3)cc12 4948719 CEZRPSUZQBYIKJ-UHFFFAOYSA-N 388.419 5.597 10 50 GKCA Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 111478430 IBCGZVVQLBSIAJ-TYILLQQXSA-N 399.288 5.801 10 50 GKCA COc1ccc([C@H](NC(=O)c2ccccc2)c2c(O)ccc3ccccc23)cc1 855829 LYQSBPSHBBYBID-DEOSSOPVSA-N 383.447 5.073 10 50 GKCA COc1ccccc1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 943239 QEGFNJKRANLPDR-DEOSSOPVSA-N 383.447 5.073 10 50 GKCA O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1Cl 1782196 VCSPTDWYLJBNPY-HSZRJFAPSA-N 387.866 5.718 10 50 GKCA aggregator Cc1cc(N2Cc3ccccc3C2)ccc1/N=N/c1ccc(C(F)(F)F)cc1 4774690 YMKPEAOUCLZOLS-CYYJNZCTSA-N 381.401 6.949 10 50 GKCA CC[C@H](c1ccc(O)c(CN2CCCCC2)c1)[C@@H](CC)c1ccc(OC)cc1 1641564 MENNADYZPJFLRS-BJKOFHAPSA-N 381.560 6.074 10 50 GKCA CN(Cc1cc(CSc2ccccc2)c2cccnc2c1O)C1CCCCC1 22147518 MBQQWVSRQRSAKS-UHFFFAOYSA-N 392.568 5.997 10 50 GKCA COc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)c1 4178197 FEQPLAMQCMIQNR-JOCHJYFZSA-N 385.467 5.162 10 50 GKCA CCCCNc1cc(Nc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O 4593654 MMXYKXNVUQKMGZ-UHFFFAOYSA-N 383.451 5.995 10 50 GKCA O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 2954779 FACIGETZFCVXOL-ZSOIEALJSA-N 396.320 5.061 10 50 GKCA Oc1cc(-c2ccccc2)ccc1CN(Cc1ccccc1)Cc1ccccc1 5023386 XURWJYFDMYDFJG-UHFFFAOYSA-N 379.503 6.262 10 50 GKCA C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5050329 FEEFCTKLLPKECQ-FFCYNSPCSA-N 377.893 5.442 10 50 GKCA Oc1ccc(Br)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 16192483 PCMJPORDPBGSHV-IIYDPXPESA-N 376.681 5.635 10 50 GKCA CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12 19789595 LBDVSYMOKHTHGD-KRWDZBQOSA-N 397.902 5.584 10 50 GKCA biogenic O=C1c2ccccc2C(=O)C1(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 1065271 VKWGICIXIFXGLW-UHFFFAOYSA-N 381.258 5.553 10 50 GKCA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Cl)ccc1Cl 5093605 RJIVSWAGIYDZRO-UHFFFAOYSA-N 396.229 5.021 10 50 GKCA COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2)C1=O 13551606 RTBPAETVSAEZHD-UYRXBGFRSA-N 377.490 5.254 10 50 GKCA Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@@H]21 101119279 VOUNWWOTGCOYHY-QVCLANMBSA-N 384.479 5.798 10 50 GKCA O=C1c2ccccc2C(=O)C1(Nc1ccc(-c2ccccc2)cc1)c1ccccc1 3465295 RDPNDAPJUFYKLN-UHFFFAOYSA-N 389.454 5.740 10 50 GKCA Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1 4808336 ZWDHVCLAPIPKIO-FQEVSTJZSA-N 383.278 6.055 10 50 GKCA biogenic Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 169617150 NEVXFPDVXYJQFC-QCUMIWAISA-N 394.345 6.888 10 50 GKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN12 5739522 PITRAGZEVXQZQG-KNQAVFIVSA-N 394.833 5.427 10 50 GKCA CCN1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 1857666729 ISKQNZSMDQFEJF-UHFFFAOYSA-N 383.416 5.187 10 50 GKCA Cc1cccc(N=Nc2ccc(N=Nc3c(O)ccc4ccccc34)cc2C)c1 254295318 NHXXLZBKTKNTEF-UHFFFAOYSA-N 380.451 7.993 10 50 GKCA CCc1ccc(-n2c(-c3ccc(Br)cc3)cc(C(=O)O)c2C)cc1 4237718 RMMORLWBPBSZCR-UHFFFAOYSA-N 384.273 5.476 10 50 GKCA CN(CCCN1CCCCC1)c1ccc(/N=N/c2ccccc2)c2ccccc12 96026914 ILENAPVADHOAGS-CYYJNZCTSA-N 386.543 6.567 10 50 GKCA Cn1c(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)nc2ccccc21 3876375 OFQLSPXOOBTQCB-BYYHNAKLSA-N 377.451 6.886 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)=O)cc2[C@H]2C=CC[C@@H]21 4821437 FGWJVUVUPVNYQO-CKJXQJPGSA-N 398.300 5.487 10 50 GKCA Cc1ccc2[nH]c(C)c(/C=C3\SC(=S)N(c4ccccc4F)C3=O)c2c1 20117872 SZMFNDZLZPMLGW-ZDLGFXPLSA-N 382.485 5.330 10 50 GKCA CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1C 2073835 WNNRRYFKFYPPNA-QHCPKHFHSA-N 399.494 5.552 10 50 GKCA CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 2678064 IZYXURPAHNWCKU-DZBQEORWSA-N 393.574 5.121 10 50 GKCA CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 1219471 IUGMLTSTEDLBRS-LFIBNONCSA-N 375.902 5.145 10 50 GKCA Oc1ccc(-c2nc3ccccc3s2)cc1CNCCc1cccc(F)c1 19840584 PEHYFBSOBOQKPZ-UHFFFAOYSA-N 378.472 5.140 10 50 GKCA Oc1c([C@H](Nc2ccccn2)c2ccc(Cl)cc2Cl)ccc2cccnc12 2708538 ZQNSVWDKNCLXET-HXUWFJFHSA-N 396.277 5.844 10 50 GKCA CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 4333771 HMHOIRIIIQAKTE-HSZRJFAPSA-N 386.455 5.017 10 50 GKCA CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O 801097 VTPUBOAPEQSTFS-GOSISDBHSA-N 389.282 5.253 10 50 GKCA Oc1ccccc1CNc1ccc(SCc2ccc(Cl)cc2Cl)cc1 2544819 JNZUBSDEPJUDBZ-UHFFFAOYSA-N 390.335 6.603 10 50 GKCA O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccccc1F 4950273 XJQWYAMZSBSOCK-RIYZIHGNSA-N 384.284 5.538 10 50 GKCA COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1Cl 15011119 WSRJBKLZISZIJV-WJDWOHSUSA-N 381.950 5.130 10 50 GKCA O=C1c2ccccc2C(=O)C1C1=C[C@@H](c2ccccc2)[C@H](c2ccccc2)N=N1 100561197 KIYHLVSJGSNBEX-REWPJTCUSA-N 378.431 5.557 10 50 GKCA CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 4329487 OCLKWPRGEPXEIP-HSZRJFAPSA-N 375.903 5.762 10 50 GKCA CN1C(=O)/C(=C\c2ccccc2OCc2cccc3ccccc23)SC1=S 5103044 YFIHEWGRSFLFHF-DEDYPNTBSA-N 391.517 5.250 10 50 GKCA CCc1ccccc1N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 1136236 UCYCVUIIWPDLJC-LCYFTJDESA-N 394.315 5.010 10 50 GKCA CCCC[C@@H](CC)CN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 6323614 KDJVYWXZKDHXNL-VUFYJBQKSA-N 387.570 5.423 10 50 GKCA COc1ccccc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 5671213 UGWZIYCPUJFNNP-OQLLNIDSSA-N 396.320 5.408 10 50 GKCA Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)c2ccc(Cl)cc2Cl)cc1 17835535 BOBGGKSPSXLPAF-OCEACIFDSA-N 398.293 7.278 10 50 GKCA COc1ccccc1N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1908856 UGWZIYCPUJFNNP-DHDCSXOGSA-N 396.320 5.408 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@H]2C=CC[C@@H]21 4689311 QYSMKNMMLMUFOC-PSVSLLHZSA-N 384.228 6.839 10 50 GKCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1 2811902 SYHDSSFIZXTQFR-SXGWCWSVSA-N 394.348 5.703 10 50 GKCA CN1C(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC1=S 4481832 SHAZQSCAPAGOOM-XNTDXEJSSA-N 377.943 5.322 10 50 GKCA CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 2891829 AGDDRFBAWFPXJI-RERGGYADSA-N 378.519 5.012 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1nc(C)c[nH]1 12151472 RMFVDKXMPSTABY-LJQANCHMSA-N 383.492 5.110 10 50 GKCA Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccccc4)C3=O)c2C)c1 980386 APEMZBALPHQRND-CPNJWEJPSA-N 389.480 5.038 10 50 GKCA O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccccc1F 3003306 XZVNKHCMYXECMG-ZSOIEALJSA-N 384.284 5.538 10 50 GKCA Cc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 2323413 QXBLJVHYSCVNIQ-DHDCSXOGSA-N 380.321 5.708 10 50 GKCA COc1ccc(Cl)c2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 653920 YNCGFOQAHMGLRL-SOZUMNATSA-N 390.708 5.938 10 50 GKCA C[C@@H]1CCCN(c2cc(Br)c3noc4c3c2C(=O)c2ccccc2-4)C1 4770062 WPXMMIFBWKTYKZ-LLVKDONJSA-N 397.272 5.038 10 50 GKCA CCCCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 32645646 UWBCNEJDCGXWIG-RUAUKMDKSA-N 397.565 5.828 10 50 GKCA COc1ccccc1N1C(=O)/C(=C(\C)c2ccc(Cl)cc2)SC1=S 1165091 STAMSJSRXVGVDC-WJDWOHSUSA-N 375.902 5.145 10 50 GKCA COc1cccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 1170126 LEJAAHYFLBUKNT-DEOSSOPVSA-N 383.447 5.073 10 50 GKCA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccc(C(F)(F)F)c1 5018018 OAAFONZCHWATGG-MAHQCVNESA-N 391.439 5.667 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1nc(C)c[nH]1 11911756 JGYWJSVVBITZOW-LJQANCHMSA-N 383.492 5.110 10 50 GKCA COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1cn(C)nc1C 14996332 YKRSHOSVTZJZRN-NRFANRHFSA-N 397.519 5.120 10 50 GKCA Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 943243 DJKUTRLDKFXAES-SANMLTNESA-N 397.474 5.138 10 50 GKCA CCN1/C(=C/C=C/C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 4521388 PUIDNHIQNRMZGS-UHFFFAOYSA-N 385.575 6.341 10 50 GKCA in-vitro CCOc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1O 15016211 BAPKTBYGPQCKON-VGOFRKELSA-N 392.480 5.095 10 50 GKCA Brc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)cc1 3880307 YWQSTBRRGMJSAA-IPJJNNNSSA-N 376.297 6.429 10 50 GKCA CCN(CC)c1ccc(/N=N/c2cc[n+](Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 4521359 LPRLIDYAWCEBPV-UHFFFAOYSA-N 390.467 5.192 10 50 GKCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 111478761 LKIDKUHISJOOEA-JXXFODFXSA-N 398.300 5.371 10 50 GKCA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCC[C@H]3C)c12 634112 PEENJXFCZVHDDY-MRXNPFEDSA-N 393.483 5.357 10 50 GKCA biogenic COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 5034251 FBSXSUYXNQBFBZ-MDZRGWNJSA-N 384.273 5.062 10 50 GKCA Cc1cccc(OCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 943244 DJKUTRLDKFXAES-AREMUKBSSA-N 397.474 5.138 10 50 GKCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 2673135 DGKPGJJKOXILRN-CCNLRRDASA-N 383.538 5.265 10 50 GKCA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl 3460533 SSGFHSUVGYDMBC-QSJINSDNSA-N 392.332 5.955 10 50 GKCA COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1C 15016791 RIINSJBWIPMKCE-QFIPXVFZSA-N 385.467 5.162 10 50 GKCA CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)/N=N/C(=O)O[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 257347015 MNVJPRUQXCFARA-XRDXFSPHSA-N 390.524 6.141 10 50 GKCA O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1Cc1ccccc1 987471 RSVKGGZPSJTNRZ-GDNBJRDFSA-N 379.428 5.107 10 50 GKCA COc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4172120 CBOIWRUQWHIBNW-VBHSOAQHSA-N 390.361 5.449 10 50 GKCA COc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4757836 CBOIWRUQWHIBNW-JCGVRSQUSA-N 390.361 5.449 10 50 GKCA Cc1ccc(C(=O)O)c2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 111479008 VAAVLZMNNFGARM-SPYBWZPUSA-N 384.273 5.282 10 50 GKCA CC(C)[C@@H]1C[C@](CCNCc2ccc(N(C)C)cc2)(c2ccccc2)CCO1 3999657 MFJHMTFOCRVPES-LOSJGSFVSA-N 380.576 5.005 10 50 GKCA biogenic CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 1227674 KSDZCOCZXGRXCK-WJDWOHSUSA-N 375.902 5.145 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 1461861 ZLKQTLDMIYDCCR-MBOZVWFJSA-N 398.300 5.452 10 50 GKCA c1ccc(C(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c2ccccc2)cc1 1423165 GREGGDRRHQPLIA-UHFFFAOYSA-N 391.474 5.902 10 50 GKCA Oc1c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2Cl)ccc2cccnc12 2708532 ZQNSVWDKNCLXET-FQEVSTJZSA-N 396.277 5.844 10 50 GKCA O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)c1ccccc1[N+](=O)[O-] 1150721 PYHCWJQZRDHLFY-UHFFFAOYSA-N 384.391 5.793 10 50 GKCA COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O 1159781 QPGPEAIIWMQVRF-YBEGLDIGSA-N 375.902 5.063 10 50 GKCA CCc1cccc(CC)c1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1777336 WLTLWOTWYIYOPT-UHFFFAOYSA-N 385.463 5.129 10 50 GKCA Brc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)cc1 3880309 YWQSTBRRGMJSAA-JQVVWYNYSA-N 376.297 6.429 10 50 GKCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 100085740 KFIAGZKQQLLMLN-XDHOZWIPSA-N 380.806 5.545 10 50 GKCA COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc3ccccc3c2)N=C1C 15016442 UKMHOWOLNPUOON-MOSHPQCFSA-N 376.843 5.308 10 50 GKCA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 20598816 CBRMZNJPKRDNDB-KRWDZBQOSA-N 381.907 5.124 10 50 GKCA Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1150055 KFMJBYBBAQHUNU-VIZOYTHASA-N 397.352 5.232 10 50 GKCA COc1ccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 1229197 KCKKNZJPHWKMIQ-DEOSSOPVSA-N 383.447 5.073 10 50 GKCA Oc1ccc(/N=N/c2nc3ccccc3n2Cc2ccccc2)c2ccccc12 3876530 YPDDNPSIKIMFMO-CYYJNZCTSA-N 378.435 6.359 10 50 GKCA O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C/c1ccc(Br)o1 2826653 AYQZFZGRFDMPKD-ATVHPVEESA-N 393.236 5.690 10 50 GKCA O=C1C[C@@H](c2ccc(O)cc2)c2c(c3ccccc3c3nc4ccccc4nc23)O1 217636672 OYANBYVXKSFWLM-SFHVURJKSA-N 392.414 5.083 10 50 GKCA biogenic C[C@H]1CCC[C@@H](C)N1CCNc1ccc(/N=N/c2ccccc2)c2ccccc12 96026874 WMWDEXXJQCOTEU-IXXAEQASSA-N 386.543 6.930 10 50 GKCA O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1CCc1ccccc1 5050973 JYWRKVLOSGQEQH-CCEZHUSRSA-N 391.474 5.291 10 50 GKCA O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1c1cccc(F)c1 1135914 IQWBQRUXMQVLLG-PDGQHHTCSA-N 381.453 5.492 10 50 GKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 2255912 ZVHAFTKDKBDINT-OKHBPPCESA-N 394.348 5.956 10 50 GKCA CC(C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O 801106 BHJWVIQRDPSQPF-FQEVSTJZSA-N 396.918 5.579 10 50 GKCA Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4151463 BVJAADNFOQHJMJ-MDZRGWNJSA-N 399.288 5.801 10 50 GKCA Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 5884881 KPMDPWKGSQSXJG-XDHOZWIPSA-N 395.480 5.800 10 50 GKCA Cc1ccc([C@H](NC(=O)COc2ccccc2)c2c(O)ccc3ccccc23)cc1 2979461 RKFIQRFDJACNFU-SANMLTNESA-N 397.474 5.138 10 50 GKCA O=C1c2ccccc2C(=O)C1C1=C[C@@H](c2ccccc2)[C@H](c2ccc(F)cc2)N=N1 107989849 JASRPWJUMSSFDS-REWPJTCUSA-N 396.421 5.696 10 50 GKCA Cc1ccccc1N1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC1=S 1159308 CBXMZTRHSGILRF-ZSOIEALJSA-N 396.320 5.413 10 50 GKCA CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1 5102202 KELBRRFGLICPTL-JOCHJYFZSA-N 385.467 5.244 10 50 GKCA Cc1cccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2C)c1 18022178 NHXXLZBKTKNTEF-NBHCHVEOSA-N 380.451 7.993 10 50 GKCA in-vitro Cc1ccccc1N1C(=O)/C(=C/c2ccccc2Br)SC1=S 1159828 DSGGDEODUZMXPT-GDNBJRDFSA-N 390.327 5.163 10 50 GKCA Cc1ccnc(N[C@H](c2ccc(C(C)(C)C)cc2)c2ccc3cccnc3c2O)c1 15015552 ZTZYFPVPRKUORH-HSZRJFAPSA-N 397.522 6.143 10 50 GKCA O=C1c2ccccc2C(=O)C1C1=C[C@H](c2ccccc2)[C@@H](c2ccc(F)cc2)N=N1 107989845 JASRPWJUMSSFDS-NFBKMPQASA-N 396.421 5.696 10 50 GKCA Oc1c([C@H](Nc2ccccn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc12 2838989 DYTPMUBPFQYPBO-LJQANCHMSA-N 396.277 5.844 10 50 GKCA Cc1ccnc(N[C@@H](c2cc(C)ccc2C)c2ccc3ccc(C)nc3c2O)c1 2839074 LWRIRUDIKOTCLE-XMMPIXPASA-N 383.495 5.771 10 50 GKCA COc1ccccc1Nc1cc(C(F)(F)F)nc2c(OC)ccc(OC)c12 4872936 OBDNSCNXANIPPW-UHFFFAOYSA-N 378.350 5.023 10 50 GKCA O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1Cc1ccccc1 987467 DZACPZRRRNURED-UNOMPAQXSA-N 395.480 5.487 10 50 GKCA COc1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1 1220848 QZPIPMRRLAVKNN-DHDCSXOGSA-N 396.320 5.408 10 50 GKCA CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1OC 4844996 WKPHNVLMHMDSQM-WQRHYEAKSA-N 398.890 5.252 10 50 GKCA [N-]=[N+]=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 4531953 SEJXSFJDBRQEJY-UHFFFAOYSA-N 396.493 6.893 10 50 GKCA Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1C 1822303 ZSEJCEVIWOMSEZ-NXLLQJLMSA-N 396.493 5.174 10 50 GKCA CCc1ccccc1-n1c(-c2ccc(Br)cc2)cc(C(=O)OC)c1C 4237722 RFGZTJLXUOGUIC-UHFFFAOYSA-N 398.300 5.564 10 50 GKCA CCc1ccc(-n2c(-c3ccc(Br)cc3)cc(C(=O)OC)c2C)cc1 4237723 ARNTWQCWTODNHO-UHFFFAOYSA-N 398.300 5.564 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 4757867 ANSKEBAPMGMQFR-UWVAXJGDSA-N 387.401 5.709 10 50 GKCA O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1ccccc1 4997085 VZGFLHZMDBUJBM-LDADJPATSA-N 397.908 6.006 10 50 GKCA COc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)c1 4178195 FEQPLAMQCMIQNR-QFIPXVFZSA-N 385.467 5.162 10 50 GKCA O=C1C[C@H](c2cccc(O)c2)c2c(c3ccccc3c3nc4ccccc4nc23)O1 217698673 BKXZBFMXFGNDHP-GOSISDBHSA-N 392.414 5.083 10 50 GKCA biogenic COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@@H]21 4664561 DABIPKHAFYILJH-ZJNRKIDTSA-N 392.243 5.562 10 50 GKCA Cc1noc(/C=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1[N+](=O)[O-] 4810719 HZHQGPAKWIUGFL-BQYQJAHWSA-N 391.349 5.488 10 50 GKCA S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)NC1CC1 5050905 KLKJIOSVODHTJH-UHFFFAOYSA-N 394.503 5.538 10 50 GKCA C[C@H]1CCC[C@H](C)N1CCNc1ccc(/N=N/c2ccccc2)c2ccccc12 96026875 WMWDEXXJQCOTEU-ODXCOTEMSA-N 386.543 6.930 10 50 GKCA O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)c2ccccc12 252670138 JSAKRLDIZOGQTN-UHFFFAOYSA-N 378.409 5.361 10 50 GKCA O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(N4CCCCC4)c1c23 1193768 ICTYVSQKWONJBX-UHFFFAOYSA-N 387.483 5.020 10 50 GKCA Brc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)cc1 3880306 YWQSTBRRGMJSAA-DXIQSLLYSA-N 376.297 6.429 10 50 GKCA CN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC1=S 5112280 RNERKEJVRXUDLY-DEDYPNTBSA-N 391.517 5.250 10 50 GKCA COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1nc(C)c[nH]1 11911755 JGYWJSVVBITZOW-IBGZPJMESA-N 383.492 5.110 10 50 GKCA COc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4757838 CBOIWRUQWHIBNW-LXIYXOSZSA-N 390.361 5.449 10 50 GKCA CC[C@H]1CCCCN1Cc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12 19789555 DOFZUJJFKJSWGS-INIZCTEOSA-N 397.902 5.584 10 50 GKCA Cc1ccc([C@@H](CCNCc2ccc(N(C)C)cc2)[C@@H]2CCOC(C)(C)C2)cc1 2810300 ILKGFZGCTFIHGF-ILBGXUMGSA-N 394.603 5.530 10 50 GKCA Cc1ccc(-c2cc(C(=O)O)c(C)n2-c2ccc(Br)cc2)cc1C 4237782 WPFAFYLVWBLVTF-UHFFFAOYSA-N 384.273 5.530 10 50 GKCA CCN(CC)c1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 15009918 VEZYCNLRESYQBX-PDGQHHTCSA-N 386.904 5.427 10 50 GKCA Cc1ccc(C)c([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)c1 2868406 JWBUCSUIVCHQRM-OAQYLSRUSA-N 389.886 5.807 10 50 GKCA O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Br)cc1 5005668 WKZRWRJYLOKQDA-GHVJWSGMSA-N 380.245 6.117 10 50 GKCA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 5034245 FBSXSUYXNQBFBZ-GJYPPUQNSA-N 384.273 5.062 10 50 GKCA Oc1c([C@H](Nc2ccccn2)c2cccc(F)c2)cc(Cl)c2cccnc12 5049429 NXUVJIYFYUHBAC-LJQANCHMSA-N 379.822 5.329 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@@H]21 59267139 DABIPKHAFYILJH-FHSNZYRGSA-N 392.243 5.562 10 50 GKCA O=C1c2ccccc2C(=O)C1C1=C[C@H](c2ccccc2)[C@H](c2ccccc2)N=N1 100561199 KIYHLVSJGSNBEX-OFNKIYASSA-N 378.431 5.557 10 50 GKCA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CCc1ccccc1 33350426 CKVRMYVSMNIDHI-MHWRWJLKSA-N 394.348 5.437 10 50 GKCA COc1ccccc1[C@H](NC(=O)C1CCCCC1)c1ccc2ccccc2c1O 2997758 XRNVRLBZCFLYOT-QHCPKHFHSA-N 389.495 5.340 10 50 GKCA CC[C@@]1(C)C[C@](CCNCc2ccc(N(C)C)cc2)(c2ccc(F)cc2)CCO1 4794802 ZPMLWCNMSTVVDE-LOSJGSFVSA-N 398.566 5.289 10 50 GKCA Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 4808340 ZWDHVCLAPIPKIO-HXUWFJFHSA-N 383.278 6.055 10 50 GKCA biogenic CN1/C(=C2\SC(=S)N(C3CCCCC3)C2=O)Sc2ccc(Cl)cc21 13573458 KNQWAUCTASQBHR-JQIJEIRASA-N 396.990 5.244 10 50 GKCA C1=C[C@@]23CCCC[C@@]2(C=C1)CN(N=NN1C[C@]24C=CC=C[C@@]2(CCCC4)C1)C3 254703902 WCSNKQPGRWYFHU-SWIJEOLNSA-N 376.548 5.245 10 50 GKCA Cc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1ccc(Cl)cc1 1423282 PLXVQQYTACXKNC-VXLYETTFSA-N 383.278 5.894 10 50 GKCA CN(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 13616593 OUYYWQVCUKCGGE-DENIHFKCSA-N 375.497 5.056 10 50 GKCA Cc1ccc([C@H](CCNCc2ccc(N(C)C)cc2)[C@H]2CCOC(C)(C)C2)cc1 2810299 ILKGFZGCTFIHGF-ZCYQVOJMSA-N 394.603 5.530 10 50 GKCA Cc1ccccc1/N=N/c1ccc(NC(=O)/C=C/c2ccccc2Cl)c(C)c1 5549002 KXNCKYLUVBYGQD-AYEDEEQRSA-N 389.886 7.024 10 50 GKCA O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1ccc(-c2ccccc2)o1 5874785 QKQVJYUQFUPOGX-LDADJPATSA-N 380.856 5.682 10 50 GKCA O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 59267084 QZZJFGFQSQOUKI-XNJGSVPQSA-N 393.792 5.884 10 50 GKCA COC(=O)c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 230205493 CHEWPGNTSNCUDF-RQTOMXEWSA-N 381.475 5.967 10 50 GKCA Cc1ccc2cc(C3=C/C(=C/c4ccc(Cl)cc4Cl)C(=O)O3)ccc2c1 2924229 CXEGVNNDXUEELS-ZDLGFXPLSA-N 381.258 6.436 10 50 GKCA Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 16192879 MKABJIWGQZFVSC-NVNXTCNLSA-N 380.321 5.708 10 50 GKCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 1150899 KPMDPWKGSQSXJG-UNOMPAQXSA-N 395.480 5.800 10 50 GKCA CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 1806731 LDINOEGEPNDPLS-RGEXLXHISA-N 382.554 5.247 10 50 GKCA O=C1/C(=C\C=C\c2ccccc2Cl)SC(=S)N1c1ccc(Cl)cc1 2992629 JGOWSQMGIUVVEL-FWPHUCDGSA-N 392.332 5.955 10 50 GKCA CCCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2ccccc2c1O 6309739 UWKCZWRJOHNYKX-DEOSSOPVSA-N 375.512 6.065 10 50 GKCA O=C1c2ccccc2C(=O)C1C1=C[C@@H](c2ccccc2)[C@@H](c2ccc(F)cc2)N=N1 107989842 JASRPWJUMSSFDS-NZQKXSOJSA-N 396.421 5.696 10 50 GKCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N3C[C@@H]1CC=C[C@H]21 245238650 XPWUMPZXMZMOQI-OWOGZFRHSA-N 387.454 5.418 10 50 GKCA CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)SC1=S 1159578 NVGNRUKHRHJGJB-MOSHPQCFSA-N 392.549 5.468 10 50 GKCA CCCCNc1cc(Nc2cccc(C)c2)c2c3c(onc13)-c1ccccc1C2=O 4593666 ZZKUGRYVWRXGGL-UHFFFAOYSA-N 397.478 6.303 10 50 GKCA Cc1ccnc(N[C@@H](c2ccc(C(C)C)cc2)c2ccc3cccnc3c2O)c1 13060384 IUBFBKTYCGEBEG-QHCPKHFHSA-N 383.495 5.969 10 50 GKCA Cc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1 801018 NTOMTWHLAMHYRJ-DEOSSOPVSA-N 396.490 5.087 10 50 GKCA CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 19791521 XAIKVBJJAGTVAY-UHFFFAOYSA-N 391.389 5.026 10 50 GKCA biogenic Cc1coc(-c2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)ccc2C)n1 130003479 ZENAAEDDFVOKGV-UHFFFAOYSA-N 386.455 5.013 10 50 GKCA Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(N2CCOCC2)cc1 634923 BPHHJDJJURQHAV-UHFFFAOYSA-N 397.316 5.052 10 50 GKCA O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NCc1ccccc1 1148259 PHDVTFLPIMPTNZ-UHFFFAOYSA-N 380.900 5.058 10 50 GKCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(Cl)cc3)c(O)c2n1 1168960 PCBHRAHEKOFWDT-HXUWFJFHSA-N 375.859 5.499 10 50 GKCA CCCCNc1cc(Nc2ccc(C)cc2)c2c3c(onc13)-c1ccccc1C2=O 4593655 HMHAZYIAUQZJCB-UHFFFAOYSA-N 397.478 6.303 10 50 GKCA CC[C@]1(C)C[C@@](CCNCc2ccc(N(C)C)cc2)(c2ccc(F)cc2)CCO1 4794799 ZPMLWCNMSTVVDE-RPBOFIJWSA-N 398.566 5.289 10 50 GKCA Oc1ccc(-c2ccccc2)cc1CN1CCN(c2ccccc2Cl)CC1 55183237 OFCRPRPBKOVUON-UHFFFAOYSA-N 378.903 5.035 10 50 GKCA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 1102665 WGSSPYJLXXMWPV-TYILLQQXSA-N 387.310 5.522 10 50 GKCA CCCC[C@H](CC)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 2696767 BPHPKWBWVYSXFD-RERGGYADSA-N 378.519 5.012 10 50 GKCA CC[C@@]1(C)C[C@](CCNCc2ccc(N(C)C)cc2)(c2ccc(C)cc2)CCO1 3999368 HJQBQTWMUGNATN-IZZNHLLZSA-N 394.603 5.458 10 50 GKCA biogenic COc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 13389429 CBOIWRUQWHIBNW-VFVRVIDISA-N 390.361 5.449 10 50 GKCA Cc1ccsc1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 1147550 BRTVRDJRSRIUSE-MDWZMJQESA-N 385.457 5.481 10 50 GKCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 13615514 AQNGEGAZQNCRRW-SOZUMNATSA-N 391.254 5.737 10 50 GKCA CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 1205356 YVEBXMKQXVCUED-JYRVWZFOSA-N 384.309 5.475 10 50 GKCA Cc1ccc([C@@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc23)cc1 2870022 XMPAUTHIHVYEGJ-AREMUKBSSA-N 381.475 5.302 10 50 GKCA CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)c2ccccc2S1 3134893 QPZVVUVVGFVLHV-UHFFFAOYSA-N 394.323 5.900 10 50 GKCA COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1cnn(C)c1C 12243013 WYPLNXKAKOKYTB-NRFANRHFSA-N 397.519 5.120 10 50 GKCA O=C(c1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 4190469 CZQQLPPWBLKOPF-UHFFFAOYSA-N 384.438 6.320 10 50 GKCA O=S(=O)(O)c1c(/N=N/c2c(O)ccc3ccccc23)ccc2ccccc12 4683072 SRPCPRSDICCCRQ-QURGRASLSA-N 378.409 5.361 10 50 GKCA CC(=O)c1ccc(/N=N/c2cc3c(cc2C)N(CCO)C(C)(C)C[C@H]3C)cc1 18008222 PAKKTQQUDSXPRF-DPQBTTMVSA-N 379.504 5.698 10 50 GKCA O=C(CC1(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)c1ccccc1 755487 AXXYPKDTTHLCKJ-UHFFFAOYSA-N 388.850 5.221 10 50 GKCA COc1ccc(Cl)c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 4721953 OZJSNVHPBLWZER-HBUWYVDXSA-N 390.708 5.938 10 50 GKCA Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)Nc2cc(Cl)ccc2C)cc1 18089929 YLPJHDOEESRGEA-CYYJNZCTSA-N 392.890 7.325 10 50 GKCA COc1cc(C)c(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1C(C)C 708803 HLBPLPMDABMDFK-UHFFFAOYSA-N 399.490 5.514 10 50 GKCA O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)c1 1127618 GWTIDZVWFXMAEX-VBQJREDUSA-N 389.224 5.323 10 50 GKCA CC1(C)[C@@H](C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)[C@@H]1C=C(Cl)Cl 4069815 DBKUTFIJVFCDJF-PMRSXKAISA-N 388.298 6.632 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 101695646 KPJBPVNCPOHPDZ-IGCXYCKISA-N 394.780 6.094 10 50 GKCA Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 5549006 XROFUGPNZBPIKR-BYYHNAKLSA-N 385.511 7.269 10 50 GKCA CCCC1CCN(Cc2cc(O)c(CN3CCC(CCC)CC3)cc2O)CC1 15442148 IFNWGPKURSKGRZ-UHFFFAOYSA-N 388.596 5.122 10 50 GKCA O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1cccc2ccccc12 334161437 ZKODEXHJVLCZGR-UYRXBGFRSA-N 376.506 5.111 10 50 GKCA CCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1O 2999691 JVNFXWFWVXMXML-FQEVSTJZSA-N 388.294 5.858 10 50 GKCA CN(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN23)cc1 19926360 HQCKEOFGWSJNCL-KNQAVFIVSA-N 393.874 5.241 10 50 GKCA Cc1cccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccc(C)cc34)SC2=S)c1 1160036 KFOMMWKIARJUAZ-ODLFYWEKSA-N 378.522 5.499 10 50 GKCA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)ccc2O)cc1 4854083 ZCRGQXPTRRDJRR-NZQKXSOJSA-N 390.870 5.596 10 50 GKCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3Cl)c(O)c2n1 1159789 PEXQTMGRJKPKCN-OAQYLSRUSA-N 375.859 5.499 10 50 GKCA CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4949195 JUWTYQNSSMNCIJ-ORVRKZHRSA-N 384.439 5.218 10 50 GKCA Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O 1156702 CZGJPDNLWJMCNM-LICLKQGHSA-N 384.913 5.536 10 50 GKCA Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1Cc1ccccc1 4550559 NWKJHEFCDOTXDQ-FOCLMDBBSA-N 391.474 5.405 10 50 GKCA Cn1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 1086324 KBRNLTUDDSGKPV-RQZCQDPDSA-N 384.913 5.238 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4309895 CUZQOORVLPUEMQ-QEEYODRMSA-N 388.294 5.997 10 50 GKCA CCC(=O)Oc1c(-c2ccccc2)c2nc3ccccc3nc2c2ccccc12 4612018 OTNISQHPLDTAOX-UHFFFAOYSA-N 378.431 5.919 10 50 GKCA O=C1C(=Cc2ccc(-c3ccc(F)cc3)o2)SC(=S)N1C1CCCCC1 1857666724 KSNGESLVABHGDP-UHFFFAOYSA-N 387.501 5.620 10 50 GKCA COc1ccc(Cl)cc1[C@@H](Nc1cccnc1)c1ccc2cccnc2c1O 1065645 VNEQQSPGASKCDG-NRFANRHFSA-N 391.858 5.199 10 50 GKCA Oc1c([C@@H](Nc2ccccn2)c2cccc(F)c2)cc(Cl)c2cccnc12 5049427 NXUVJIYFYUHBAC-IBGZPJMESA-N 379.822 5.329 10 50 GKCA Cc1nn(-c2cc(Cl)ccc2Cl)c(C)c1N=Nc1cccc([N+](=O)[O-])c1 244659425 HCKRSFPNMVVTBG-UHFFFAOYSA-N 390.230 6.120 10 50 GKCA CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1 1147566 ILBFGINOSPXRGH-QHCPKHFHSA-N 390.527 5.111 10 50 GKCA biogenic CC(C)C(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O 869240 GUGJXJDURCSDQV-SFHVURJKSA-N 389.282 5.109 10 50 GKCA Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 1107005 RBTZKNTVSHUSBV-ZRGWGRIASA-N 385.261 5.492 10 50 GKCA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 2696755 DWETYWBEZHUUCZ-QLENYVDCSA-N 376.591 5.170 10 50 GKCA O=C(O)c1cc2c3c(c1)[C@@H]1CCCC[C@@H]1CN3[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 655575 LGARIUWONWUFPT-UKMCQSRUSA-N 385.507 5.893 10 50 GKCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4844815 PCSFGONBZQAHOM-KNKQGSTJSA-N 392.455 5.234 10 50 GKCA CCN(CC)CCNc1ccc(/N=N/c2ccccc2SC)c2ccccc12 96026913 ZTNGZMPTQQNHDS-OCEACIFDSA-N 392.572 6.731 10 50 GKCA CN(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 13616591 OUYYWQVCUKCGGE-KNQAVFIVSA-N 375.497 5.056 10 50 GKCA COc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2c(O)ccc3ccccc23)cc1 2979679 XYQIXHRCYDKCAK-VWLOTQADSA-N 397.474 5.382 10 50 GKCA Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 4151452 RBTZKNTVSHUSBV-QMTMVMCOSA-N 385.261 5.492 10 50 GKCA CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)/N=N/C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 43762034 NFTASUQYTUXRSI-FCPXRJIOSA-N 394.556 6.633 10 50 GKCA CN(C)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@H](c4ccccc4)N23)cc1 100743126 MVTNPDZGDVJMMJ-BVECQHHBSA-N 387.914 5.333 10 50 GKCA Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 943246 GLHCJQIWLUMVEM-AREMUKBSSA-N 397.474 5.138 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)=O)cc2[C@@H]2C=CC[C@@H]21 1053920 FGWJVUVUPVNYQO-VWKPWSFCSA-N 398.300 5.487 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1ccc(O)cc1 14884868 YUQMYNSVGPJHPN-JOCHJYFZSA-N 395.499 5.784 10 50 GKCA O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(F)cc1 1761540 YYFPMZUOEFDTEZ-RIYZIHGNSA-N 384.284 5.538 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 111442057 ZLKQTLDMIYDCCR-FUHIMQAGSA-N 398.300 5.452 10 50 GKCA CCOc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1 1800255 XHBSQLOFSDSFNW-ZHZULCJRSA-N 391.517 5.644 10 50 GKCA CC[C@@]1(C)C[C@@](CCNCc2ccc(N(C)C)cc2)(c2ccc(F)cc2)CCO1 4794800 ZPMLWCNMSTVVDE-DQEYMECFSA-N 398.566 5.289 10 50 GKCA Cc1cc(NC(=S)NNc2c(F)c(F)c(C)c(F)c2F)ccc1C(C)C 2561896 VPUVJDQYWAAJOQ-UHFFFAOYSA-N 385.430 5.297 10 50 GKCA CC(C)[C@H]1C[C@@](CCNCc2ccc(N(C)C)cc2)(c2ccccc2)CCO1 3999656 MFJHMTFOCRVPES-RPBOFIJWSA-N 380.576 5.005 10 50 GKCA biogenic COc1ccc2ccccc2c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 16675880 HRGDBPVPHSBJMG-MOSHPQCFSA-N 391.517 5.250 10 50 GKCA CCN(CC)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19228630 VRIMPIZNKJYYKY-UHFFFAOYSA-N 399.582 5.549 10 50 GKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1 5008826 WSYWFLYCGLLHGB-CPNJWEJPSA-N 383.538 5.615 10 50 GKCA Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@@H]1CC=C[C@H]21 828287 VQOBDUXIBFXMEA-LBUOEMMASA-N 384.479 5.798 10 50 GKCA Cc1cccc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)n1 5102329 ALVSIURCXDRPIW-FQEVSTJZSA-N 375.859 5.499 10 50 GKCA O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 15722398 LIGHTOPFGVEIEO-XHBSWPGZSA-N 377.227 5.434 10 50 GKCA CCOc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCC3)cc1 920847 VDIASKHMULVSIX-UHFFFAOYSA-N 398.553 5.561 10 50 GKCA CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 16699696 UWBCNEJDCGXWIG-UKEODDKASA-N 397.565 5.828 10 50 GKCA O=C1c2ccccc2C(=O)C1C1=C[C@@H](c2ccccc2)[C@@H](c2ccccc2)N=N1 100561193 KIYHLVSJGSNBEX-NZQKXSOJSA-N 378.431 5.557 10 50 GKCA O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cccc(Cl)c1 33344437 NEWDJBBOPFKAGR-RIYZIHGNSA-N 384.284 5.538 10 50 GKCA O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 2296669 QYJKSMXPVXVMBL-SDNWHVSQSA-N 392.794 5.280 10 50 GKCA CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S 2678048 JINJDAOZAQCVNC-HIXWQLQUSA-N 393.574 5.209 10 50 GKCA COc1c(C)cccc1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O 4761368 SULBXURSXLHAID-XNTDXEJSSA-N 375.902 5.063 10 50 GKCA Cc1ccc([C@]2(CCNCc3ccc(N(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 2212075 PASVNSLWOIJXES-IZZNHLLZSA-N 394.603 5.314 10 50 GKCA Cc1ccc(N=Nc2c(N)nn3c(-c4ccccc4)nn(-c4ccccc4)c23)cc1 252426396 AGRBRWXQEGPVGN-UHFFFAOYSA-N 393.454 5.493 10 50 GKCA CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 169620947 CZGLGEGNYDKASX-WOIUINJBSA-N 380.919 5.649 10 50 GKCA CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC1=S 1206786 DBRXMNCQWPAUNZ-BOPFTXTBSA-N 389.929 5.140 10 50 GKCA O=C(N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12)c1ccccc1 2063572 UXSDXPQORHVTIJ-QHCPKHFHSA-N 387.866 5.718 10 50 GKCA aggregator Cc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 2784580 QJRRABVXOJADMN-DHDCSXOGSA-N 380.321 5.708 10 50 GKCA c1ccc2c(c1)c1ccccc1c1nc3c4ccccc4c4ccccc4c3nc21 4955190 MPCDPKFEJFKCLI-UHFFFAOYSA-N 380.450 7.396 10 50 GKCA Cc1ccnc(N[C@H](c2cc(C)ccc2C)c2ccc3ccc(C)nc3c2O)c1 2839075 LWRIRUDIKOTCLE-DEOSSOPVSA-N 383.495 5.771 10 50 GKCA O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 4997058 GKEYCDDKCQCTRP-GHVJWSGMSA-N 380.791 5.916 10 50 GKCA CCCCCCC(=O)Oc1ccc(/[N+](O)=N/c2ccc(CCCC)cc2)cc1 225298824 BVYCNTDYROWCRW-UHFFFAOYSA-N 383.512 6.722 10 50 GKCA O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(Cl)cc1 1782191 QNBCEZYIHVVQIB-HSZRJFAPSA-N 387.866 5.718 10 50 GKCA CC(C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 4805322 QQHFCKJYZVHMTH-OVCLIPMQSA-N 398.336 5.863 10 50 GKCA Oc1ccc(-c2nc3ccccc3s2)cc1CNCCc1ccccc1Cl 19839880 JWHSXJKIQFQAOV-UHFFFAOYSA-N 394.927 5.655 10 50 GKCA C[S@](=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 1875388145 OWWSWRROIQAZBP-KVGHQICRSA-N 378.324 5.557 10 50 GKCA CCOc1cccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1 18190449 XKIAXDVGTLQPMF-JOCHJYFZSA-N 385.467 5.244 10 50 GKCA CCCCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 5502653 INRUINKIQWTDOY-XDJHFCHBSA-N 383.538 5.870 10 50 GKCA O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1Cl 1782195 VCSPTDWYLJBNPY-QHCPKHFHSA-N 387.866 5.718 10 50 GKCA aggregator Cc1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 245232417 VQOBDUXIBFXMEA-DXGKXZIESA-N 384.479 5.798 10 50 GKCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 4309556 AQNGEGAZQNCRRW-IUUKEHGRSA-N 391.254 5.737 10 50 GKCA Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Br)c2)cc1 1140326 LCJGWPIHBHLSRB-UHFFFAOYSA-N 384.273 5.232 10 50 GKCA Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(C2CCCCC2)cc1 1150796 IDXYJCHRUOELAI-UHFFFAOYSA-N 382.573 5.150 10 50 GKCA Cc1ccccc1/N=N/c1ccc(/N=N/c2c(O)ccc3ccccc23)c(C)c1 85205445 RCTGMCJBQGBLKT-PAMTUDGESA-N 380.451 7.993 10 50 GKCA in-man CN(C)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@@H](c4ccccc4)N23)cc1 25586381 MVTNPDZGDVJMMJ-UHYSMRQQSA-N 387.914 5.333 10 50 GKCA CC(C)C[C@@H](C)Nc1ccc(Nc2ccccc2)cc1Sc1ncccn1 5844725 LEQBGZRWYLHIDT-QGZVFWFLSA-N 378.545 6.218 10 50 GKCA Cc1ccc2[nH]c(C)c(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)c2c1 20117862 DSFXRDJKIXVISZ-ZDLGFXPLSA-N 398.940 5.844 10 50 GKCA CCc1ccccc1-n1c(-c2ccc(Br)cc2)cc(C(=O)O)c1C 4237719 FUSCWNFKXHSPQW-UHFFFAOYSA-N 384.273 5.476 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21 12469384 RMSFNPMEZBGVFQ-SEDUGSJDSA-N 384.228 6.839 10 50 GKCA O=C(O)[C@@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)c1ccccc1 771809 BSSGORVBEHMAOO-DNQXCXABSA-N 382.459 5.591 10 50 GKCA CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 5103077 FBWHWYPQCMZZQR-GZTJUZNOSA-N 389.929 5.140 10 50 GKCA Cc1ccc2[nH]c(C)c(/C=C3\SC(=S)N(c4ccccc4C)C3=O)c2c1 16192925 XRSYRMGOXIMAOQ-ODLFYWEKSA-N 378.522 5.499 10 50 GKCA COc1ccc(Cl)c2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 1461867 OZJSNVHPBLWZER-QWQRMKEZSA-N 390.708 5.938 10 50 GKCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2C)c1C 4819280 OBQWGSGTGLABDC-HAHDFKILSA-N 383.495 5.517 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 4321240 PDLUKLWQHFTIHW-HLIPFELVSA-N 398.300 5.452 10 50 GKCA Cc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 2993287 NVSWWJBYVKHLET-UHFFFAOYSA-N 384.273 5.232 10 50 GKCA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)ccc2O)cc1 4854084 ZCRGQXPTRRDJRR-NFBKMPQASA-N 390.870 5.596 10 50 GKCA CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 4838783 BHLYPJLIDGGKQM-RIYZIHGNSA-N 384.309 5.475 10 50 GKCA C[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1O 225406063 CWKSDTFOGWGMAB-LLVKDONJSA-N 393.327 5.203 10 50 GKCA O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1 1151514 CHZIXMHABGOBND-UHFFFAOYSA-N 384.391 5.793 10 50 GKCA Cc1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1 1160392 LTWZZPKTYVXIAB-GDNBJRDFSA-N 390.327 5.163 10 50 GKCA O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 169682888 WYWUKAZFKPOTPP-UGTJMOTHSA-N 389.926 6.381 10 50 GKCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 169690004 MSASTMHEDHIUQX-WOIUINJBSA-N 381.903 5.979 10 50 GKCA CCOC(=O)C1=CS/C(=C2/C(=S)C(C)(C)Nc3cc(C)ccc32)S1 1170562 QKECSFYDQCZWMX-VKAVYKQESA-N 377.556 5.122 10 50 GKCA CC[C@@H]1CCCCN1Cc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12 19789553 DOFZUJJFKJSWGS-MRXNPFEDSA-N 397.902 5.584 10 50 GKCA CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)/N=N/C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 43762032 NFTASUQYTUXRSI-VNFRIIMZSA-N 394.556 6.633 10 50 GKCA O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 975399 USOPLXYWLWUWNU-RIYZIHGNSA-N 383.391 5.250 10 50 GKCA O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1 990697 YZEJIVHEKNOOOB-UHFFFAOYSA-N 383.403 5.583 10 50 GKCA CN1/C(=C2/SC(=S)N(C3CCCCC3)C2=O)Sc2ccc(Cl)cc21 2070272 KNQWAUCTASQBHR-PEZBUJJGSA-N 396.990 5.244 10 50 GKCA CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 5569763 HQCKEOFGWSJNCL-SIKLNZKXSA-N 393.874 5.241 10 50 GKCA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 12379710 AGVOAIGMMHPJPZ-MBOZVWFJSA-N 383.289 5.234 10 50 GKCA CCOc1ccc2c(c1)-c1c(sn(-c3ccc(C)cc3)c1=S)C(C)(C)N2C 2055934 OGZYINFETJMXML-UHFFFAOYSA-N 396.581 6.327 10 50 GKCA Cc1cc(/N=N/c2c(O)ccc3ccccc23)c(S(=O)(=O)O)cc1Cl 5765124 IYHIFXGFKVJNBB-FMQUCBEESA-N 376.821 5.169 10 50 GKCA in-vitro O=S(=O)(O)c1cc(O)c(/N=N/c2c(O)ccc3ccccc23)c2ccccc12 12405071 ZMLWOOMWRCRLCH-QURGRASLSA-N 394.408 5.066 10 50 GKCA O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)c1 59267169 GWTIDZVWFXMAEX-CPUCHLNUSA-N 389.224 5.323 10 50 GKCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 111478758 LKIDKUHISJOOEA-GQIGUUNPSA-N 398.300 5.371 10 50 GKCA C1=CC[C@]23CCCC[C@@]2(C1)CN(N=NN1C[C@]24CC=CC[C@@]2(CCCC4)C1)C3 254304572 KMSNNMWQDSKHEI-YCAMKHIRSA-N 380.580 5.693 10 50 GKCA C[C@H]1CCCN(c2cc(Br)c3noc4c3c2C(=O)c2ccccc2-4)C1 4770063 WPXMMIFBWKTYKZ-NSHDSACASA-N 397.272 5.038 10 50 GKCA Cc1ccc2cc(C3=C/C(=C/c4cccc(Br)c4)C(=O)O3)ccc2c1 2927231 AACYWAACWOWAAJ-GRSHGNNSSA-N 391.264 5.892 10 50 GKCA CC1CCN(Cc2c(O)c(Cl)cc3c(-c4ccccc4)cc(=O)oc23)CC1 19789551 ODRZLMBDBCOLEL-UHFFFAOYSA-N 383.875 5.051 10 50 GKCA COc1ccc2c(c1)c(=O)oc1cc(OCc3ccc(F)cc3Cl)ccc12 1156137 OFASOHFLYMUMEC-UHFFFAOYSA-N 384.790 5.326 10 50 GKCA O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccccc1 2891719 IUEHWPYSPQGJLD-JCMHNJIXSA-N 397.524 6.399 10 50 GKCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 245238649 XPWUMPZXMZMOQI-MZKGMKKXSA-N 387.454 5.418 10 50 GKCA COc1cc([N+]#N)cc(OC)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 257347859 WOVXXCUIZVKATN-UHFFFAOYSA-N 383.171 5.819 10 50 GKCA Cc1ccc(Cl)c2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 1461868 ZSHHPKIRTAAKPX-KGVIQGDOSA-N 383.944 5.969 10 50 GKCA CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccc(N)cc1)c1cccc(N)c1 1766450 ZNFVEGXOOKOIMO-LJQANCHMSA-N 377.425 5.005 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 1096139 ONRURSMNXRQIMR-QEEYODRMSA-N 387.401 5.709 10 50 GKCA O=C1c2ccccc2C(=O)c2c1c(Cl)c(Cl)c(Cl)c2N1CCCC1 4785461 YXZQSNQDEJJXKH-UHFFFAOYSA-N 380.658 5.022 10 50 GKCA CCc1cccc2c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c[nH]c12 1155805 XZNFCURQDAWOGJ-WOJGMQOQSA-N 378.522 5.132 10 50 GKCA CCCC(=O)Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)OCC 2998261 VGRWPYVEJAUDHK-UHFFFAOYSA-N 393.508 5.997 10 50 GKCA Cc1ccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 1190571 LPGJWJNAWXEBEP-UNOMPAQXSA-N 379.868 5.970 10 50 GKCA CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1 5102200 KELBRRFGLICPTL-QFIPXVFZSA-N 385.467 5.244 10 50 GKCA Cc1ccc([C@@H](NC(=O)COc2ccccc2)c2c(O)ccc3ccccc23)cc1 2979462 RKFIQRFDJACNFU-AREMUKBSSA-N 397.474 5.138 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1cn(C)nc1C 14996334 YKRSHOSVTZJZRN-OAQYLSRUSA-N 397.519 5.120 10 50 GKCA Cc1ccccc1N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 2305262 QVYHJRJVWVAZNN-DHDCSXOGSA-N 380.321 5.708 10 50 GKCA Oc1ccc(-c2ncccn2)cc1CNCCC(c1ccccc1)c1ccccc1 11870262 DQHPWXQQKOGZEZ-UHFFFAOYSA-N 395.506 5.161 10 50 GKCA CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2C)C1=O 16192832 OFYUBVPUPQAJCD-BOPFTXTBSA-N 389.929 5.453 10 50 GKCA CCCCOc1ccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc1 16184230 SDAMWTHMTUUIRZ-HAHDFKILSA-N 384.475 6.308 10 50 GKCA CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 16192811 QFAHUZVIIXGFDM-YBEGLDIGSA-N 393.892 5.284 10 50 GKCA COc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C 1159970 JESKFHBAGSEHPY-QFIPXVFZSA-N 385.467 5.162 10 50 GKCA aggregator Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1C 4713715 KYPDAODYKIZDRC-BYYHNAKLSA-N 385.511 7.269 10 50 GKCA Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 2883620 KQUBJIXSEBVKKR-UHFFFAOYSA-N 375.534 5.096 10 50 GKCA CN(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 5569767 IWEYTFCIUJKEMZ-UPVQGACJSA-N 387.458 5.134 10 50 GKCA Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 943245 GLHCJQIWLUMVEM-SANMLTNESA-N 397.474 5.138 10 50 GKCA COc1ccc([C@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc23)cc1 970915 VYPUVVGXWOVISS-SANMLTNESA-N 397.474 5.002 10 50 GKCA Cn1c(-c2ccccc2)c(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc21 4365585 VEIQMIFGPISKCW-UHFFFAOYSA-N 391.538 6.565 10 50 GKCA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 4321278 AGVOAIGMMHPJPZ-HLIPFELVSA-N 383.289 5.234 10 50 GKCA O=C(Nc1ccc(/N=N/c2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1F 17993887 VVDCHNRWLNMVPS-WCWDXBQESA-N 379.351 5.793 10 50 GKCA CC(C)(C)c1cc([C@@H](c2ccccc2O)N2CCCCC2)cc(C(C)(C)C)c1O 2269723 VPDSZFFCLBKLKX-QHCPKHFHSA-N 395.587 6.268 10 50 GKCA Cc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccc(C)cc3)cc3ccccc23)cc1 4989565 GMJUAQJTPQCDSE-BYYHNAKLSA-N 395.462 6.830 10 50 GKCA O=C(N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O)C1CCCCC1 869251 FEMAOGCTYDYUOH-FQEVSTJZSA-N 394.902 5.380 10 50 GKCA CC[C@@]1(C)C[C@@](CCNCc2ccc(N(C)C)cc2)(c2ccc(C)cc2)CCO1 4817570 HJQBQTWMUGNATN-UIOOFZCWSA-N 394.603 5.458 10 50 GKCA biogenic Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 111441354 BVJAADNFOQHJMJ-GPMSIDNRSA-N 399.288 5.801 10 50 GKCA Cc1ccnc(N[C@@H](c2ccc3ccccc3c2)c2ccc3cccnc3c2O)c1 2874078 ACOPCCNQZUNLPD-DEOSSOPVSA-N 391.474 5.999 10 50 GKCA COc1ccc2ccccc2c1/C=C1\SC(=S)N(C2CCCCC2)C1=O 16227879 DPONJJYCCXJZKK-UYRXBGFRSA-N 383.538 5.382 10 50 GKCA CN(C)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@@H](c4ccccc4)N23)cc1 25586370 MVTNPDZGDVJMMJ-ASAMFVBJSA-N 387.914 5.333 10 50 GKCA Cc1nc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccsc2n1 4191051 DGVGDYQNDNTZQF-UHFFFAOYSA-N 393.537 5.382 10 50 GKCA CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(N(C)C)cc1 1149997 AQUQALYZMBZYJN-DEOSSOPVSA-N 390.527 5.225 10 50 GKCA biogenic O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1Cc1ccco1 2322580 IELJGUNUUGIEHZ-CPNJWEJPSA-N 393.489 5.473 10 50 GKCA COC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 4455945 MAPLJDVVHBOMAU-BXWFABGCSA-N 384.273 5.062 10 50 GKCA COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 3462245 JORSXSKKLRXCCB-NVNXTCNLSA-N 396.320 5.408 10 50 GKCA CCCCCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 5502045 RTZLMPZZENEYIO-SDNWHVSQSA-N 384.364 5.231 10 50 GKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 5953627 KSDZCOCZXGRXCK-LFIBNONCSA-N 375.902 5.145 10 50 GKCA CCCCN(CCCC)Cc1cc(O)c(N(CCCC)CCCC)cc1O 334162963 KBABDJDEGXUENB-UHFFFAOYSA-N 378.601 5.907 10 50 GKCA Oc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1O 13284584 WWQCUWWSYUODSN-UHFFFAOYSA-N 397.261 6.129 10 50 GKCA O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1CCc1ccccc1 2358811 JAOAXIHHKDTTDK-WJDWOHSUSA-N 394.348 5.437 10 50 GKCA CCN(CC)c1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2470340 SZZUHXFECHOWNN-QHCPKHFHSA-N 398.510 5.383 10 50 GKCA CCN1/C(=C2/SC(=S)N(C3CCCCC3)C2=O)C=Cc2cc(C)ccc21 100302988 LRIQXJHWMNQVDD-VHEBQXMUSA-N 384.570 5.253 10 50 GKCA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCC[C@@H](C)C3)c12 634121 PITXMSAZLCZDMS-MRXNPFEDSA-N 393.483 5.214 10 50 GKCA biogenic CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 4532255 DJQWUQXGETUZLB-QHCPKHFHSA-N 375.903 5.762 10 50 GKCA CN(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 25572914 IWEYTFCIUJKEMZ-ISKFKSNPSA-N 387.458 5.134 10 50 GKCA Cc1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1 3001784 WBRYNWMEHHCDSR-DHDCSXOGSA-N 380.321 5.708 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21 4689492 LGCZLAYBUUQHRC-WVQJBOLRSA-N 384.228 6.839 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1ccccc1OC)CCN2Cc1ccoc1 299780077 QQHVVTCBXQFXMY-OAQYLSRUSA-N 381.497 5.541 10 50 GKCA Cc1ccccc1/N=N/c1cc(C)c(/N=N/c2c(O)ccc3ccccc23)cc1C 100048791 NRBKWAQSLYBVSG-ZDXBJJIESA-N 394.478 8.301 10 50 GKCA O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 1070012 QZZJFGFQSQOUKI-IIYDPXPESA-N 393.792 5.884 10 50 GKCA CCCc1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1226306 OKZOHXIODMWBQQ-UHFFFAOYSA-N 396.486 5.520 10 50 GKCA C1=CC[C@@]23CCCC[C@@]2(C1)CN(N=NN1C[C@]24CC=CC[C@@]2(CCCC4)C1)C3 254304571 KMSNNMWQDSKHEI-SWIJEOLNSA-N 380.580 5.693 10 50 GKCA O=C1c2ccccc2-c2onc3ccc(Nc4ccc(Br)cc4)c1c23 850489 VHKZZZRTGHQQRL-UHFFFAOYSA-N 391.224 5.545 10 50 GKCA Cc1ccc(C2=NN3[C@H](c4cc(Cl)ccc4O)Oc4ccccc4[C@H]3C2)cc1 248124032 ZCRGQXPTRRDJRR-OFNKIYASSA-N 390.870 5.596 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 1408607 ANSKEBAPMGMQFR-MBOZVWFJSA-N 387.401 5.709 10 50 GKCA Cc1ccc([C@H](CCNCc2ccc(N(C)C)cc2)[C@@H]2CCOC(C)(C)C2)cc1 2810301 ILKGFZGCTFIHGF-NOZRDPDXSA-N 394.603 5.530 10 50 GKCA CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 4371932 CZGLGEGNYDKASX-DXIQSLLYSA-N 380.919 5.649 10 50 GKCA O=C(O)c1cc2c3c(c1)[C@@H]1CCCC[C@@H]1CN3[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 252427945 LGARIUWONWUFPT-YFHLLIBNSA-N 385.507 5.893 10 50 GKCA Clc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1Cl 1426789 HARXTGHENDOATH-UHFFFAOYSA-N 386.238 5.413 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1cccnc1 14970739 XAVGSODVGQQNJC-OAQYLSRUSA-N 398.478 5.612 10 50 GKCA Oc1ccc(Br)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 16192485 PCMJPORDPBGSHV-PBFPGSCMSA-N 376.681 5.635 10 50 GKCA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4069817 DBKUTFIJVFCDJF-PGHHSDNMSA-N 388.298 6.632 10 50 GKCA Cc1ccnc(N[C@H](c2ccc(C)s2)c2ccc3ccc(C)nc3c2O)c1 5533966 YKPWXWMEESFCMT-NRFANRHFSA-N 375.497 5.524 10 50 GKCA Cc1ccc2[nH]c(C)c(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)c2c1 20255193 KTAJCTDSXAFESQ-ZDLGFXPLSA-N 382.485 5.330 10 50 GKCA C[S@](=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 1875388144 OWWSWRROIQAZBP-KIRMMRAKSA-N 378.324 5.557 10 50 GKCA Cc1ccc(CN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 2673263 HBAUCIJBPZKNQS-SXGWCWSVSA-N 394.348 5.703 10 50 GKCA O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1Cc1ccccc1Cl 2533552 PFTRJNCEHZFABT-ZDLGFXPLSA-N 399.924 5.060 10 50 GKCA Cc1cccc(N[C@@H](c2ccc3ccc(C)nc3c2O)c2sccc2C)n1 5740674 DDEXKWRWFNUKNE-FQEVSTJZSA-N 375.497 5.524 10 50 GKCA O=C1OC(c2ccccc2)=C/C1=C\c1ccc(-c2cccc(Br)c2)o1 15016351 UXJHMAMQICIARY-FOWTUZBSSA-N 393.236 5.690 10 50 GKCA CCCCCCOc1ccc(/N=N/c2ccc(OCCCCCC)c(C)c2)cc1 953013604 ULSNKXLZLMMAQJ-CYYJNZCTSA-N 396.575 8.329 10 50 GKCA CCCCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 16212775 WSGIMWIXIPQHKZ-ZHZULCJRSA-N 397.565 5.575 10 50 GKCA COc1ccc(Cl)cc1[C@H](Nc1cccnc1)c1ccc2cccnc2c1O 1065640 VNEQQSPGASKCDG-OAQYLSRUSA-N 391.858 5.199 10 50 GKCA CC(C)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O 801107 BHJWVIQRDPSQPF-HXUWFJFHSA-N 396.918 5.579 10 50 GKCA CC(C)(C)c1cc(CN2CCN(Cc3ccccc3)CC2)c(O)c(C(C)(C)C)c1 19633988 OROPZOODADQDSL-UHFFFAOYSA-N 394.603 5.305 10 50 GKCA O=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCCCCC3)c(O)ccc12 19789598 LUXRPLCOGZWQEC-UHFFFAOYSA-N 383.875 5.195 10 50 GKCA biogenic Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C3/SC(=S)N(C)C3=O)c2c1 1152163 ALQPGXYRXJWCAR-GZTJUZNOSA-N 378.522 5.283 10 50 GKCA O=C1c2ccccc2C(=O)C1C1=C[C@H](c2ccccc2)[C@H](c2ccc(F)cc2)N=N1 107989852 JASRPWJUMSSFDS-OFNKIYASSA-N 396.421 5.696 10 50 GKCA Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc2c1C(=O)C=[N+]=[N-] 4760389 PRAFOVJKDYMUFE-UHFFFAOYSA-N 390.657 5.654 10 50 GKCA CCCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 4819511 LJMQCJOFCQPQTD-QGOAFFKASA-N 399.288 5.044 10 50 GKCA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 169682359 FBSXSUYXNQBFBZ-JTDSTZFVSA-N 384.273 5.062 10 50 GKCA CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 5090868 LTFMDQOLBAUGDX-DXIQSLLYSA-N 392.455 5.378 10 50 GKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4854245 YHLQJXGGGBAWOX-JXFKEZNVSA-N 382.872 5.349 10 50 GKCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\C=C1\N(C)c2ccccc2C1(C)C 4498707 SRJLMOURKMIRHF-ZRWDRPBKSA-N 391.902 5.300 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1cccc(C)n1 12150789 BUNNSVRHQTZRIN-JOCHJYFZSA-N 394.515 5.781 10 50 GKCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(C(C)(C)C)cc3)c(O)c2n1 2073867 IPDZJNIZUSHWQI-HSZRJFAPSA-N 397.522 6.143 10 50 GKCA CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)SC1=S 5102488 MZTJXUOGGFBWGV-GZTJUZNOSA-N 389.929 5.140 10 50 GKCA CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(OCC)c1 1159809 QVJWYOFVYVXORD-UNOMPAQXSA-N 399.537 5.198 10 50 GKCA CC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)N=C3C)o2)c1 33291455 BZSMIGSIWUKDDE-FYJGNVAPSA-N 388.398 5.094 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 5980050 ONRURSMNXRQIMR-STXHMFSFSA-N 387.401 5.709 10 50 GKCA CN(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 25572907 IWEYTFCIUJKEMZ-VWNXMTODSA-N 387.458 5.134 10 50 GKCA Oc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 6863810 QFGWWMOKECHORR-SIKLNZKXSA-N 376.843 5.288 10 50 GKCA CCN(CC)c1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1 15011107 PAHGTUADZQVUSQ-CYVLTUHYSA-N 388.602 5.314 10 50 GKCA O=C1c2ccccc2C(=O)C1C1=C[C@H](c2ccccc2)[C@@H](c2ccccc2)N=N1 100561195 KIYHLVSJGSNBEX-NFBKMPQASA-N 378.431 5.557 10 50 GKCA O=C1c2ccccc2-c2onc3c(Br)cc(NCc4ccco4)c1c23 4744362 UKHHHFZTERATCI-UHFFFAOYSA-N 395.212 5.007 10 50 GKCA CCOc1ccccc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CCC2 798216 ZITJCTAVCYXWHB-UHFFFAOYSA-N 396.512 5.401 10 50 GKCA Oc1ccccc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 20915594 DHMKCUQFXXGDNO-HXUWFJFHSA-N 383.495 5.315 10 50 GKCA COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl 2961738 KTJKQRDQNKZQED-NTEUORMPSA-N 396.320 5.408 10 50 GKCA CCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 3004458 HXXUSTKVALVTRF-PTNGSMBKSA-N 377.575 5.208 10 50 GKCA Oc1ccc(-c2nc3ccccc3s2)cc1CNCCc1ccc(F)cc1 23128798 FGMPHSLKNIEWGM-UHFFFAOYSA-N 378.472 5.140 10 50 GKCA CCCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 2834636 VWFITOYWQVZLRO-HSZRJFAPSA-N 399.494 5.634 10 50 GKCA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)/N=N/C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 43762031 NFTASUQYTUXRSI-JELRZTOPSA-N 394.556 6.633 10 50 GKCA Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc2c3c(cccc13)CC2 1159878 YQSOMIDITJSIFI-UHFFFAOYSA-N 399.519 5.070 10 50 GKCA CCN1C(=O)/C(=C\C=C2\Sc3ccc4ccccc4c3N2CC)SC1=S 97578192 QVPNVTXAJDKIPT-MAEUFBSDSA-N 398.578 5.377 10 50 GKCA CCCN1/C(=C\C=C\c2sc3ccccc3[n+]2CCC)Sc2ccccc21 2170305 XTXHEIANHUPHJK-UHFFFAOYSA-N 393.601 6.476 10 50 GKCA Cc1cccc(NC2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)c1C 5090785 NOANUBJMKTXYQA-MHWRWJLKSA-N 387.302 5.148 10 50 GKCA CC(=O)Oc1c(-c2ccc(Cl)cc2)c2nc3ccccc3nc2c2ccccc12 4348433 RZZOTDLVDBGEPJ-UHFFFAOYSA-N 398.849 6.182 10 50 GKCA Oc1c([C@H](Nc2ccccn2)c2c(F)cccc2Cl)ccc2cccnc12 5590460 YROVRAVZEVZWSW-FQEVSTJZSA-N 379.822 5.329 10 50 GKCA COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1cccc(C)n1 12150788 BUNNSVRHQTZRIN-QFIPXVFZSA-N 394.515 5.781 10 50 GKCA O=[N+]([O-])c1ccc(/N=N/c2ccc(N3Cc4ccccc4C3)c(Cl)c2)cc1 4774682 WYKFKZIUIFRMHK-GHVJWSGMSA-N 378.819 6.184 10 50 GKCA Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CNCc1ccccc1F 299786815 NLMKHQSCYSEBTK-UHFFFAOYSA-N 392.861 5.690 10 50 GKCA CC(C)CNc1cc(Nc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O 4623900 DOBVJOWKQKDBGQ-UHFFFAOYSA-N 383.451 5.851 10 50 GKCA Cc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5711716 DHPPKAMVNIGFID-OVCLIPMQSA-N 380.321 5.708 10 50 GKCA COc1ccc(NC(=S)Nc2ccc(N=Nc3ccc(C)cc3)cc2)cc1 245313083 ZUSRNFLQHIFRLS-UHFFFAOYSA-N 376.485 6.228 10 50 GKCA CC(C)(C)c1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2745421 RWFNQAOHQVYJRV-QFIPXVFZSA-N 383.495 5.834 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 4003779 ZLKQTLDMIYDCCR-UWVAXJGDSA-N 398.300 5.452 10 50 GKCA CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C 2470410 CYNZBLNMIJNBSF-HSZRJFAPSA-N 399.494 5.552 10 50 GKCA in-vitro Cc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1C 1140161 BQKMKLJGGQEJRK-UHFFFAOYSA-N 398.300 5.541 10 50 GKCA Cc1ccc(Sc2cc(Cl)c3noc4c3c2C(=O)c2ccccc2-4)cc1 1187484 CDNYMGWEJXKRQL-UHFFFAOYSA-N 377.852 6.152 10 50 GKCA Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2ccc(OC(C)C)cc2)S1 22135338 AMFLKLPLIXXGBG-WQRHYEAKSA-N 386.904 5.518 10 50 GKCA Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 169617093 BIORLBXGJKUVSB-RLFDGXBXSA-N 385.121 7.127 10 50 GKCA CN(Cc1cccs1)Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O 14881812 UFWKTIFPIIRAQB-UHFFFAOYSA-N 394.927 5.954 10 50 GKCA CC(C)(C)c1cc([C@H](c2ccccc2O)N2CCOCC2)cc(C(C)(C)C)c1O 20840269 GYYGKFKKUKBBRU-JOCHJYFZSA-N 397.559 5.114 10 50 GKCA CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S 1168752 YQVZYQGIBGULSW-ZDLGFXPLSA-N 398.940 5.174 10 50 GKCA CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(O)c(CN2CCCCC2)c1 1641565 MENNADYZPJFLRS-DNQXCXABSA-N 381.560 6.074 10 50 GKCA O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc12 4524131 GNPDBEIHUUYIRV-LDADJPATSA-N 392.461 5.154 10 50 GKCA CN(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 5569769 HQCKEOFGWSJNCL-UGKGYDQZSA-N 393.874 5.241 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 230051459 KPJBPVNCPOHPDZ-XNJGSVPQSA-N 394.780 6.094 10 50 GKCA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 2891827 AGDDRFBAWFPXJI-YYTPVVGHSA-N 378.519 5.012 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 4757869 ANSKEBAPMGMQFR-HLIPFELVSA-N 387.401 5.709 10 50 GKCA Cc1cccc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3ccc(C)nc3c2O)n1 4164725 HOCWFUDKLDDDRQ-QHCPKHFHSA-N 398.510 5.220 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21 12468922 LGCZLAYBUUQHRC-CZIZLABSSA-N 384.228 6.839 10 50 GKCA COc1ccc([C@@H](NC(=O)C2CCCCC2)c2c(O)ccc3ccccc23)cc1 2997991 AOKXVRMFXRYFGO-XMMPIXPASA-N 389.495 5.340 10 50 GKCA aggregator CC[C@]1(C)C[C@](CCNCc2ccc(N(C)C)cc2)(c2ccc(C)cc2)CCO1 3999367 HJQBQTWMUGNATN-CLJLJLNGSA-N 394.603 5.458 10 50 GKCA biogenic CCCOc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 2470401 IBYCAQPUJIALTP-JOCHJYFZSA-N 385.467 5.326 10 50 GKCA O=[N+]([O-])c1ccc(-c2csc(NCc3c(O)ccc4ccccc34)n2)cc1 2826587 REVRIYWCOUBTDG-UHFFFAOYSA-N 377.425 5.189 10 50 GKCA CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 1190756 JYOYGMSODYTBKW-MHWRWJLKSA-N 375.902 5.145 10 50 GKCA CCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 1144762 BTKHWOGQAMSKKA-DHDCSXOGSA-N 398.336 5.865 10 50 GKCA COc1cccc(/C=C2\SC(Nc3cccc(Cl)c3Cl)=NC2=O)c1 13768522 KQSBDFQGGIYFCP-ZROIWOOFSA-N 379.268 5.084 10 50 GKCA CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 2502829 IPCYHANDABLLHX-JOCHJYFZSA-N 385.467 5.244 10 50 GKCA COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1ccccc1 4311634 FWXSKCHIYHXKDI-UHFFFAOYSA-N 382.463 5.964 10 50 GKCA CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCC(C)C 1158343 ZLNMGMMQXQNVPQ-UDWIEESQSA-N 396.462 5.065 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 1013873 OGNWNODEOFEKSY-LAPQFRIASA-N 388.294 5.997 10 50 GKCA Cc1ccc(OCCc2ccccc2)c(/N=N/c2c(O)ccc3ccccc23)c1 4419446 YMZHXZISIRPOSW-CYYJNZCTSA-N 382.463 6.891 10 50 GKCA CN1/C(=C/C=C2/SC(=S)N(c3ccccc3)C2=O)C(C)(C)c2ccccc21 100268021 VVIIOIPUFUBROD-JIBZRZDWSA-N 392.549 5.247 10 50 GKCA CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 2502828 IPCYHANDABLLHX-QFIPXVFZSA-N 385.467 5.244 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@H]2C=CC[C@H]21 4689308 QYSMKNMMLMUFOC-WVQJBOLRSA-N 384.228 6.839 10 50 GKCA CC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1 1147568 ILBFGINOSPXRGH-HSZRJFAPSA-N 390.527 5.111 10 50 GKCA biogenic CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 2998787 UCSZLJSTOUMSKG-UHFFFAOYSA-N 384.439 5.385 10 50 GKCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(C(C)(C)C)cc3)c(O)c2n1 2073868 IPDZJNIZUSHWQI-QHCPKHFHSA-N 397.522 6.143 10 50 GKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)=O)cc2[C@@H]2C=CC[C@H]21 4821438 FGWJVUVUPVNYQO-WHSLLNHNSA-N 398.300 5.487 10 50 GKCA Nc1c(Cl)cc2c(c1Oc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O 4833303 OVVMVWQEIUGFAO-UHFFFAOYSA-N 384.218 5.143 10 50 GKCA CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 2549294 YSFRTMGRNASTTK-SFQUDFHCSA-N 387.957 6.043 10 50 GKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 5739410 PITRAGZEVXQZQG-UGKGYDQZSA-N 394.833 5.427 10 50 GKCA CN1CCCc2cc([C@@H]3C=Cc4ccccc4N3C(=O)c3ccccc3)ccc21 22016736 JNNGMEOOKMBABH-VWLOTQADSA-N 380.491 5.484 10 50 GKCA O=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3ccccc23)c2ccccc12 4416413 GOLZWFYDAGUDPO-QURGRASLSA-N 378.409 5.361 10 50 GKCA O=C1/C(=C/c2ccc(Sc3ccccc3)o2)SC(=S)N1Cc1ccco1 1136235 QRMUBQZCXIGAFL-WJDWOHSUSA-N 399.518 5.425 10 50 GKCA COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1OCc1ccccc1 2340598 SMWVYVQZKVEHBJ-UHFFFAOYSA-N 382.463 5.964 10 50 GKCA Oc1ccc(Br)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 4844804 PCMJPORDPBGSHV-GDZNZVCISA-N 376.681 5.635 10 50 GKCA O=[N+]([O-])c1ccc2c(c1)Oc1ccc(/N=N/c3ccc(Cl)cc3)cc1C=C2 4593590 ZURQPQWIRCORKT-GHVJWSGMSA-N 377.787 6.940 10 50 GKCA COc1ccc(N2C(=O)/C(=C\c3ccc4ccccc4c3)SC2=S)cc1 5023561 IOGFTMRAZCGZHM-CPNJWEJPSA-N 377.490 5.254 10 50 GKCA Cc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 16193127 AUZOEMJECBSZOP-NVNXTCNLSA-N 380.321 5.708 10 50 GKCA CCn1c(/C=C/N(C)c2ccccc2)[n+](CC)c2cc(Cl)c(Cl)cc21 1234984 JPDANWNFKJVSKB-UHFFFAOYSA-N 375.323 5.383 10 50 GKCA Clc1c(-c2nc(-c3ccc(-n4cccc4)cc3)no2)sc2ccccc12 4623225 QNLZOFCOGOMMAF-UHFFFAOYSA-N 377.856 6.062 10 50 GKCA Cc1ccc(NC(=O)CSc2ccccc2NCc2ccccc2O)cc1 2544958 HZYRQIVIBARJQV-UHFFFAOYSA-N 378.497 5.044 10 50 GKCA O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1Cc1ccccc1 5023356 RVWJZDPELNKGDF-XNTDXEJSSA-N 379.428 5.107 10 50 GKCA COc1ccc2ccccc2c1/C=C1\C=C(c2ccc3cc(C)ccc3c2)OC1=O 22064132 DBHOXXWHYJWMNO-PXLXIMEGSA-N 392.454 6.291 10 50 GKCA Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c(N)c1-c1ccccc1 2384353 PVSDNAAOLNXILW-UHFFFAOYSA-N 399.523 5.423 10 50 GKCA O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)SC(=S)N1Cc1ccccc1 1212343 IGMWXGYJQPCRBI-AUWJEWJLSA-N 396.320 5.100 10 50 GKCA COc1ccc(N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)cc1 4838767 BNELFRJNZJTKTI-XNTDXEJSSA-N 395.427 5.120 10 50 GKCA O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl 59267053 FLOCAIFEUXAXLG-PEBVRCNWSA-N 395.673 6.382 10 50 GKCA CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O 869268 DUICHCGSDFOJKH-INIZCTEOSA-N 395.673 5.126 10 50 GKCA COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 1136185 VZDYQHXKHPVBBP-SXGWCWSVSA-N 375.902 5.063 10 50 GKCA C[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1O 225406020 CWKSDTFOGWGMAB-NSHDSACASA-N 393.327 5.203 10 50 GKCA COc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1Cl 1136156 SEBFAIJOBIIJBD-NVNXTCNLSA-N 396.320 5.408 10 50 GKCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(Cl)cc3)c(O)c2n1 1168961 PCBHRAHEKOFWDT-FQEVSTJZSA-N 375.859 5.499 10 50 GKCA Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 229850087 JFZBWQQOWNVMBU-CPUCHLNUSA-N 395.127 6.582 10 50 GKCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3cccc(Cl)c3)ccc12 2811835 PEEXAURZCIASMM-UHFFFAOYSA-N 380.827 5.496 10 50 GKCA COc1ccc2c(c1)c(NCc1ccccc1Cl)c1ccc(Cl)cc1[n+]2[O-] 71767024 QXQGEPOPSODBKP-UHFFFAOYSA-N 399.277 5.554 10 50 GKCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 111479134 YZTJKXQLGGNVAF-CKNLXJGOSA-N 398.300 5.371 10 50 GKCA O=S(=O)(O)c1cccc2cc(/N=N/c3c(O)ccc4ccccc34)ccc12 6118206 HKIGZCGEMKUXMC-QURGRASLSA-N 378.409 5.361 10 50 GKCA O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 36278162 LIGHTOPFGVEIEO-HSMVNMDESA-N 377.227 5.434 10 50 GKCA CCOc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1O 4845033 BAPKTBYGPQCKON-HTAPYJJXSA-N 392.480 5.095 10 50 GKCA CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 4329486 OCLKWPRGEPXEIP-QHCPKHFHSA-N 375.903 5.762 10 50 GKCA Cc1ccnc(N[C@H](c2cccc(Cl)c2)c2ccc3ccc(C)nc3c2O)c1 15016658 KJAOWXWSRYJKIM-OAQYLSRUSA-N 389.886 5.807 10 50 GKCA CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)/N=N/C(=O)O[C@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 257347014 MNVJPRUQXCFARA-VNUMGTOFSA-N 390.524 6.141 10 50 GKCA COc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C 1159969 JESKFHBAGSEHPY-JOCHJYFZSA-N 385.467 5.162 10 50 GKCA aggregator O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1cccc(Cl)c1 1800752 NEWDJBBOPFKAGR-ZSOIEALJSA-N 384.284 5.538 10 50 GKCA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/N=N/C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 43762033 NFTASUQYTUXRSI-MHSXZKHMSA-N 394.556 6.633 10 50 GKCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 12382319 UWUHWCGACIAOIT-XQBPLPMBSA-N 392.455 5.234 10 50 GKCA CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)cc1Cl 1857524938 VHLYHQVVLYVGPL-UHFFFAOYSA-N 380.662 5.365 10 50 GKCA O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(Br)c1 1151488 BZIYMRZMIRQVMD-UHFFFAOYSA-N 388.236 5.063 10 50 GKCA Oc1ccccc1CN(Cc1ccco1)Cc1ccc(Cl)nc1C(F)(F)F 170605226 OUYMEPVTWZRXTK-UHFFFAOYSA-N 396.796 5.255 10 50 GKCA Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)c1 1159602 FUMLMARRGUEOCX-UYRXBGFRSA-N 377.490 5.661 10 50 GKCA Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 1061867 BVJAADNFOQHJMJ-JTDSTZFVSA-N 399.288 5.801 10 50 GKCA Cc1ccc(CN2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1 1165053 YVWICLDRGYOWLZ-SXGWCWSVSA-N 377.893 5.189 10 50 GKCA COc1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4172096 LOMHKTSXDZGTJT-NQCMUKECSA-N 386.835 5.092 10 50 GKCA CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 19926362 HQCKEOFGWSJNCL-DENIHFKCSA-N 393.874 5.241 10 50 GKCA CCN(CC)c1ccc([C@@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1 2944590 ALGHVLAVVQIQEQ-VWLOTQADSA-N 382.507 5.948 10 50 GKCA CSc1ccc(NC(=O)Nc2cc(C)ccc2/N=N/c2ccc(C)cc2)cc1 17024790 NZRCWRBLNUTSPK-OCEACIFDSA-N 390.512 7.085 10 50 GKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 25572802 PITRAGZEVXQZQG-SIKLNZKXSA-N 394.833 5.427 10 50 GKCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 111479146 FHZOQPDFTUUOAY-JXXFODFXSA-N 398.300 5.371 10 50 GKCA COc1ccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 1229198 KCKKNZJPHWKMIQ-XMMPIXPASA-N 383.447 5.073 10 50 GKCA CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN2CCCCC2)c1 1641562 MENNADYZPJFLRS-ZEQRLZLVSA-N 381.560 6.074 10 50 GKCA COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1cccc(O)c1 11791032 JIDSIEKFYUUATD-JOCHJYFZSA-N 395.499 5.784 10 50 GKCA Cc1ccc([C@@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1 801019 NTOMTWHLAMHYRJ-XMMPIXPASA-N 396.490 5.087 10 50 GKCA COc1ccccc1NC(=O)c1cc(/N=N/c2ccccc2)c2ccccc2c1O 4113470 ZQHIUZHHCPMZFZ-CYYJNZCTSA-N 397.434 6.222 10 50 GKCA Cc1c(/C=C2\SC(=S)NC2=O)c2ccccc2n1Cc1ccccc1Cl 15800196 KTLFGHZGVUNJIN-ZDLGFXPLSA-N 398.940 5.140 10 50 GKCA Cc1ccnc(N[C@@H](c2cccc(Cl)c2)c2ccc3ccc(C)nc3c2O)c1 15016657 KJAOWXWSRYJKIM-NRFANRHFSA-N 389.886 5.807 10 50 GKCA Nc1ccc(Oc2cc(Oc3ccc(N)cc3)cc(Oc3ccc(N)cc3)c2)cc1 67176068 PAPDRIKTCIYHFI-UHFFFAOYSA-N 399.450 5.810 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1 1066475 FQCUSEMHJCASRV-VKJFTORMSA-N 376.334 5.320 10 50 GKCA Oc1ccccc1CN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 67723565 HMXYIFSAVSOFMX-UHFFFAOYSA-N 381.479 5.008 10 50 GKCA CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(Cl)c(Cl)c2)cc1 4347699 LEQZLEFUEOCYJL-UHFFFAOYSA-N 399.365 6.306 10 50 GKCA O=C1c2ccccc2C(=O)C1(Nc1ccc(Cl)c(Cl)c1)c1ccccc1 820212 VIXAYUIGPHOOQA-UHFFFAOYSA-N 382.246 5.380 10 50 GKCA CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O 16192910 CIOMYZPAUXYRNY-BOPFTXTBSA-N 389.929 5.453 10 50 GKCA O=[N+]([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 245231303 BIBYXMCNCDHNPI-BJTMNOAGSA-N 388.442 5.628 10 50 GKCA O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)c1 4993773 GWTIDZVWFXMAEX-ZQIUZPCESA-N 389.224 5.323 10 50 GKCA COc1ccccc1/N=N/c1cc(C(=O)Nc2ccccc2)c(O)c2ccccc12 4545589 XBGGLFONRAKGCV-CYYJNZCTSA-N 397.434 6.222 10 50 GKCA CNc1ccc(Nc2cccc(C(F)(F)F)c2)c2c1C(=O)c1ccccc1C2=O 4758471 OYFQOUHGZANELD-UHFFFAOYSA-N 396.368 5.266 10 50 GKCA O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccccc1 13839788 IOCHMOUOCLBYNW-OQLLNIDSSA-N 380.321 5.395 10 50 GKCA CCN1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)SC1=S 2978121 IVKPDYKYIGFVSE-NDENLUEZSA-N 392.549 5.219 10 50 GKCA O=S(=O)(O)c1cc(O)c(/N=N/c2ccc3ccccc3c2O)c2ccccc12 4521479 BRDGZOLJYALNOY-QURGRASLSA-N 394.408 5.066 10 50 GKCA aggregator CN(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 5569761 IWEYTFCIUJKEMZ-LADGPHEKSA-N 387.458 5.134 10 50 GKCA O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc(Cl)c1 15011432 YSZMKZDLMQKTRH-RIYZIHGNSA-N 399.846 5.765 10 50 GKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 169617310 CUZQOORVLPUEMQ-SXGZJXTBSA-N 388.294 5.997 10 50 GKCA CC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(N(C)C)cc1 1149995 AQUQALYZMBZYJN-XMMPIXPASA-N 390.527 5.225 10 50 GKCA biogenic Cc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1776274 DHPPKAMVNIGFID-NVNXTCNLSA-N 380.321 5.708 10 50 GKCA CC(=O)c1ccc(/N=N/c2cc3c(cc2C)N(CCO)C(C)(C)C[C@@H]3C)cc1 18060807 PAKKTQQUDSXPRF-UPCARPLXSA-N 379.504 5.698 10 50 GKCA COc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5008811 VIEJYYLCAPBXSU-OVCLIPMQSA-N 396.320 5.408 10 50 GKCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(cc(Cl)cc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1 2988034 ZHIACMRMDZGQIZ-KEYYUXOJSA-N 394.780 6.094 10 50 GKCA O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 3138871 FHRZDGCIAAHSLZ-XSFVSMFZSA-N 393.273 5.828 10 50 GKCA COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C(F)(F)F)c2)cc1 4819119 DCTAOACDNOBYSW-UHFFFAOYSA-N 389.373 5.189 10 50 GKCA CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c(OCC)c1 16193181 DXZYGIYPTALYRJ-UNOMPAQXSA-N 399.537 5.198 10 50 GKCA O=C1C[C@H](c2ccc(O)cc2)c2c(c3ccccc3c3nc4ccccc4nc23)O1 217636760 OYANBYVXKSFWLM-GOSISDBHSA-N 392.414 5.083 10 50 GKCA biogenic O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 101651451 LIGHTOPFGVEIEO-WQGACYEGSA-N 377.227 5.434 10 50 GKCA O=C(N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc12)c1ccccc1 2870199 BNRCZVOWWUGACK-HSZRJFAPSA-N 387.866 5.718 10 50 GKCA CCOC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCC3 1229029 AGMNZZQJLXUUEL-UHFFFAOYSA-N 386.904 5.254 10 50 GKCA CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 2994922 RUHRGCJAJHVFIO-XSFVSMFZSA-N 390.533 5.312 10 50 GKCA FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21 4689494 LGCZLAYBUUQHRC-PSVSLLHZSA-N 384.228 6.839 10 50 GKCA Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 111478434 IBCGZVVQLBSIAJ-LPMFXHHGSA-N 399.288 5.801 10 50 GKCA CCOc1cc(C)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1C(C)C 15011085 YVOCETQCEMKBQB-ZDLGFXPLSA-N 377.575 5.374 10 50 GKCA